smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C(=O)[O-])[N@@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001589486404 987027953 /nfs/dbraw/zinc/02/79/53/987027953.db2.gz NXXXNUJSJPGMIO-MRXNPFEDSA-N 1 1 389.496 3.177 20 5 GGBDMO COc1cc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000006008358 204161335 /nfs/dbraw/zinc/16/13/35/204161335.db2.gz SUSHZKJWXCYYRB-TWGQIWQCSA-N 1 1 397.475 3.443 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000040082231 205050374 /nfs/dbraw/zinc/05/03/74/205050374.db2.gz QPMAWVMMZXUPIE-HOTGVXAUSA-N 1 1 395.459 3.407 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(c3nc4sccn4c3[N+](=O)[O-])CC2)cc1 ZINC000058489363 205177372 /nfs/dbraw/zinc/17/73/72/205177372.db2.gz ABFMRVHZTLXSRQ-UHFFFAOYSA-N 1 1 387.465 3.025 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)nc1 ZINC000118866507 564247589 /nfs/dbraw/zinc/24/75/89/564247589.db2.gz UNSONDYQFYOBKO-AWEZNQCLSA-N 1 1 377.242 3.439 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)nc1 ZINC000118866507 564247591 /nfs/dbraw/zinc/24/75/91/564247591.db2.gz UNSONDYQFYOBKO-AWEZNQCLSA-N 1 1 377.242 3.439 20 5 GGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000119503974 564274480 /nfs/dbraw/zinc/27/44/80/564274480.db2.gz FDDYHRLCZXSSNR-GFCCVEGCSA-N 1 1 384.274 3.208 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119702901 564284075 /nfs/dbraw/zinc/28/40/75/564284075.db2.gz WWIZOSORXTZUEP-LBPRGKRZSA-N 1 1 384.274 3.065 20 5 GGBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000016444809 564294380 /nfs/dbraw/zinc/29/43/80/564294380.db2.gz CNVNFOUQKCYKEC-UHFFFAOYSA-N 1 1 378.226 3.428 20 5 GGBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000016444809 564294381 /nfs/dbraw/zinc/29/43/81/564294381.db2.gz CNVNFOUQKCYKEC-UHFFFAOYSA-N 1 1 378.226 3.428 20 5 GGBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCC[C@@H](C)C1 ZINC000120382742 564318105 /nfs/dbraw/zinc/31/81/05/564318105.db2.gz JYJWSZBUSNDNOU-OLZOCXBDSA-N 1 1 398.301 3.136 20 5 GGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000120936668 564344388 /nfs/dbraw/zinc/34/43/88/564344388.db2.gz XUKGBHNQGGTTOA-CQSZACIVSA-N 1 1 398.301 3.233 20 5 GGBDMO C[N@@H+](Cc1ccccc1Br)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711974 564348585 /nfs/dbraw/zinc/34/85/85/564348585.db2.gz DYPWMLPLXDFIDV-HNNXBMFYSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@H+](Cc1ccccc1Br)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711974 564348588 /nfs/dbraw/zinc/34/85/88/564348588.db2.gz DYPWMLPLXDFIDV-HNNXBMFYSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)o1 ZINC000030217583 564377686 /nfs/dbraw/zinc/37/76/86/564377686.db2.gz HYDMDANXVBWUOK-UHFFFAOYSA-N 1 1 382.214 3.411 20 5 GGBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032441041 564400356 /nfs/dbraw/zinc/40/03/56/564400356.db2.gz DMKKEKOEBGSPSG-RYUDHWBXSA-N 1 1 389.905 3.098 20 5 GGBDMO Cc1c(Br)cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000123966223 564467346 /nfs/dbraw/zinc/46/73/46/564467346.db2.gz BNOJCSFJKBNLFZ-GFCCVEGCSA-N 1 1 384.274 3.080 20 5 GGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC000125544555 564517432 /nfs/dbraw/zinc/51/74/32/564517432.db2.gz VLJOMODSXKTYEC-MRXNPFEDSA-N 1 1 395.253 3.402 20 5 GGBDMO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000127374501 564581764 /nfs/dbraw/zinc/58/17/64/564581764.db2.gz HGRNXVBHJZLZDA-ZDUSSCGKSA-N 1 1 398.301 3.373 20 5 GGBDMO O=C(NCC[N@@H+]1CCc2sccc2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000054355285 564603312 /nfs/dbraw/zinc/60/33/12/564603312.db2.gz WDKGRGUPEZAHIM-UHFFFAOYSA-N 1 1 380.857 3.490 20 5 GGBDMO O=C(NCC[N@H+]1CCc2sccc2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000054355285 564603315 /nfs/dbraw/zinc/60/33/15/564603315.db2.gz WDKGRGUPEZAHIM-UHFFFAOYSA-N 1 1 380.857 3.490 20 5 GGBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](CCc2cccs2)CC1 ZINC000055643926 564628683 /nfs/dbraw/zinc/62/86/83/564628683.db2.gz QLQCLLICCIHOQG-UHFFFAOYSA-N 1 1 379.869 3.310 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000134456436 564803545 /nfs/dbraw/zinc/80/35/45/564803545.db2.gz GKCOMAOBTPJPAQ-SNVBAGLBSA-N 1 1 375.376 3.146 20 5 GGBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000093613477 564887666 /nfs/dbraw/zinc/88/76/66/564887666.db2.gz BXCTXKAXBOGTDD-JKSUJKDBSA-N 1 1 399.285 3.109 20 5 GGBDMO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)cn1 ZINC000093870089 564891835 /nfs/dbraw/zinc/89/18/35/564891835.db2.gz NOPZUTMFAUFPIM-CYBMUJFWSA-N 1 1 379.258 3.155 20 5 GGBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)cn1 ZINC000093870089 564891841 /nfs/dbraw/zinc/89/18/41/564891841.db2.gz NOPZUTMFAUFPIM-CYBMUJFWSA-N 1 1 379.258 3.155 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000268278324 565145825 /nfs/dbraw/zinc/14/58/25/565145825.db2.gz XRDPHIWSSOSVIT-LBPRGKRZSA-N 1 1 384.274 3.065 20 5 GGBDMO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000271652773 565262743 /nfs/dbraw/zinc/26/27/43/565262743.db2.gz IOJJVDPNQLDDKS-NSHDSACASA-N 1 1 383.857 3.007 20 5 GGBDMO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000373004978 565264669 /nfs/dbraw/zinc/26/46/69/565264669.db2.gz XIXGAXOJHVJTCM-CYBMUJFWSA-N 1 1 379.258 3.470 20 5 GGBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000373004978 565264676 /nfs/dbraw/zinc/26/46/76/565264676.db2.gz XIXGAXOJHVJTCM-CYBMUJFWSA-N 1 1 379.258 3.470 20 5 GGBDMO C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272792393 565298369 /nfs/dbraw/zinc/29/83/69/565298369.db2.gz CLBQTURPBBRUMW-RYUDHWBXSA-N 1 1 387.527 3.125 20 5 GGBDMO C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272792393 565298374 /nfs/dbraw/zinc/29/83/74/565298374.db2.gz CLBQTURPBBRUMW-RYUDHWBXSA-N 1 1 387.527 3.125 20 5 GGBDMO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccsc1 ZINC000187784523 565354910 /nfs/dbraw/zinc/35/49/10/565354910.db2.gz WRDPOLJCWIEPDT-CQSZACIVSA-N 1 1 382.507 3.383 20 5 GGBDMO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccsc1 ZINC000187784523 565354914 /nfs/dbraw/zinc/35/49/14/565354914.db2.gz WRDPOLJCWIEPDT-CQSZACIVSA-N 1 1 382.507 3.383 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000375042806 565365599 /nfs/dbraw/zinc/36/55/99/565365599.db2.gz NBPOOJCTDOFKCY-VXGBXAGGSA-N 1 1 382.258 3.022 20 5 GGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000297684761 565382468 /nfs/dbraw/zinc/38/24/68/565382468.db2.gz HBANMBSIHRHAQX-MRXNPFEDSA-N 1 1 397.273 3.307 20 5 GGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1c[nH+]c2n1CCCC2 ZINC000375542542 565394245 /nfs/dbraw/zinc/39/42/45/565394245.db2.gz WSSITQSWUMCIDG-UHFFFAOYSA-N 1 1 380.857 3.190 20 5 GGBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cccc(Br)c1 ZINC000298034109 565396129 /nfs/dbraw/zinc/39/61/29/565396129.db2.gz CMRFAIOOYDQDEZ-SJORKVTESA-N 1 1 395.253 3.056 20 5 GGBDMO CC(C)[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000301072465 565462381 /nfs/dbraw/zinc/46/23/81/565462381.db2.gz HAOPVTZQIBHFSC-MRXNPFEDSA-N 1 1 385.306 3.041 20 5 GGBDMO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000172717804 565501032 /nfs/dbraw/zinc/50/10/32/565501032.db2.gz NBDOELVUNAPLQE-UHFFFAOYSA-N 1 1 386.239 3.059 20 5 GGBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000172717804 565501036 /nfs/dbraw/zinc/50/10/36/565501036.db2.gz NBDOELVUNAPLQE-UHFFFAOYSA-N 1 1 386.239 3.059 20 5 GGBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000301674356 565503333 /nfs/dbraw/zinc/50/33/33/565503333.db2.gz GVHRLJJOAWFMDB-UHFFFAOYSA-N 1 1 383.271 3.136 20 5 GGBDMO Cc1cc[nH+]c(N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000301713193 565506608 /nfs/dbraw/zinc/50/66/08/565506608.db2.gz LRCWSRABAQWLIQ-UHFFFAOYSA-N 1 1 377.242 3.387 20 5 GGBDMO CC(C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000301920064 565517526 /nfs/dbraw/zinc/51/75/26/565517526.db2.gz CQORFZCBRPYERQ-AWEZNQCLSA-N 1 1 389.543 3.228 20 5 GGBDMO C[C@@H]1C[N@H+](CCCCNc2c(Br)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301901624 565517853 /nfs/dbraw/zinc/51/78/53/565517853.db2.gz VSHRTDQRYNOHBG-TXEJJXNPSA-N 1 1 387.278 3.054 20 5 GGBDMO C[N@@H+](CCNc1c(Br)cncc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301905045 565518084 /nfs/dbraw/zinc/51/80/84/565518084.db2.gz YLNSIKJCEMQFEW-UHFFFAOYSA-N 1 1 383.221 3.435 20 5 GGBDMO CC(C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000302138668 565532813 /nfs/dbraw/zinc/53/28/13/565532813.db2.gz DTDFBOQIGQUUNT-CQSZACIVSA-N 1 1 389.543 3.372 20 5 GGBDMO Cc1cc(N[C@@H](C)CCN2CC[NH+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302666167 565548370 /nfs/dbraw/zinc/54/83/70/565548370.db2.gz JISLFCOSOOMFSK-ZDUSSCGKSA-N 1 1 385.306 3.104 20 5 GGBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000309865780 565578329 /nfs/dbraw/zinc/57/83/29/565578329.db2.gz FJMLBBGSUULIOX-ZDUSSCGKSA-N 1 1 377.242 3.439 20 5 GGBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000309865780 565578336 /nfs/dbraw/zinc/57/83/36/565578336.db2.gz FJMLBBGSUULIOX-ZDUSSCGKSA-N 1 1 377.242 3.439 20 5 GGBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309829614 565578381 /nfs/dbraw/zinc/57/83/81/565578381.db2.gz RQLHRLWVEDFPQN-CQSZACIVSA-N 1 1 377.242 3.439 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000408004891 565591201 /nfs/dbraw/zinc/59/12/01/565591201.db2.gz ZWKTVSCGKSZQGI-BLLLJJGKSA-N 1 1 396.285 3.222 20 5 GGBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000408223605 565600374 /nfs/dbraw/zinc/60/03/74/565600374.db2.gz URIQJVOCTHZIIY-UHFFFAOYSA-N 1 1 382.258 3.058 20 5 GGBDMO CCCn1cc[nH+]c1CCCN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000192236417 565672977 /nfs/dbraw/zinc/67/29/77/565672977.db2.gz VVDGVFGJRZHRGE-UHFFFAOYSA-N 1 1 382.262 3.428 20 5 GGBDMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000280536620 565678835 /nfs/dbraw/zinc/67/88/35/565678835.db2.gz PLEKLGPPFQSFCW-QWRGUYRKSA-N 1 1 393.241 3.430 20 5 GGBDMO Cc1ccc(NCCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[nH+]c1 ZINC000175244364 565686997 /nfs/dbraw/zinc/68/69/97/565686997.db2.gz NYRDTKZBPFGNKV-UHFFFAOYSA-N 1 1 393.241 3.293 20 5 GGBDMO Cc1c(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000280740090 565692872 /nfs/dbraw/zinc/69/28/72/565692872.db2.gz LKPGMXVWVJFXMO-XHDPSFHLSA-N 1 1 397.273 3.224 20 5 GGBDMO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000175409626 565698771 /nfs/dbraw/zinc/69/87/71/565698771.db2.gz HGWHBNKNURUFIS-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000175409626 565698775 /nfs/dbraw/zinc/69/87/75/565698775.db2.gz HGWHBNKNURUFIS-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000330482308 565708571 /nfs/dbraw/zinc/70/85/71/565708571.db2.gz RDZMPVZQFFNNKU-OAHLLOKOSA-N 1 1 384.274 3.078 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000330482308 565708573 /nfs/dbraw/zinc/70/85/73/565708573.db2.gz RDZMPVZQFFNNKU-OAHLLOKOSA-N 1 1 384.274 3.078 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176989824 565820891 /nfs/dbraw/zinc/82/08/91/565820891.db2.gz WYPDVUJBSDKBSW-BETUJISGSA-N 1 1 398.301 3.455 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332308303 565827675 /nfs/dbraw/zinc/82/76/75/565827675.db2.gz MATLBPRZWLVUOF-GJZGRUSLSA-N 1 1 382.258 3.022 20 5 GGBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000177307283 565843331 /nfs/dbraw/zinc/84/33/31/565843331.db2.gz VZJWFTOJIJBXSO-UHFFFAOYSA-N 1 1 396.285 3.448 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177349932 565844463 /nfs/dbraw/zinc/84/44/63/565844463.db2.gz MCJODOHGBNJKNX-LBPRGKRZSA-N 1 1 384.274 3.161 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000284226904 565846722 /nfs/dbraw/zinc/84/67/22/565846722.db2.gz DQWIDEFKGLEWFB-BMIGLBTASA-N 1 1 384.274 3.078 20 5 GGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000284456225 565853403 /nfs/dbraw/zinc/85/34/03/565853403.db2.gz WDRZQNCDJZCXGD-LBPRGKRZSA-N 1 1 384.274 3.080 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000177769764 565872976 /nfs/dbraw/zinc/87/29/76/565872976.db2.gz ZEGPHWGXNCHABI-YPMHNXCESA-N 1 1 382.258 3.056 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000177818451 565875479 /nfs/dbraw/zinc/87/54/79/565875479.db2.gz DTROKTAYHXWPSN-OLZOCXBDSA-N 1 1 382.258 3.056 20 5 GGBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000178571483 565926523 /nfs/dbraw/zinc/92/65/23/565926523.db2.gz KDWLLZKWQWVBAS-UHFFFAOYSA-N 1 1 396.285 3.448 20 5 GGBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000414447773 565933512 /nfs/dbraw/zinc/93/35/12/565933512.db2.gz QHUQDTFDRDKNEV-UHFFFAOYSA-N 1 1 394.396 3.368 20 5 GGBDMO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000414457376 565936654 /nfs/dbraw/zinc/93/66/54/565936654.db2.gz JDPVWGDPHPYAFJ-UHFFFAOYSA-N 1 1 383.857 3.419 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000179569780 565989685 /nfs/dbraw/zinc/98/96/85/565989685.db2.gz IFUKNSSRNZVCHD-BETUJISGSA-N 1 1 389.543 3.230 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179569531 565990262 /nfs/dbraw/zinc/99/02/62/565990262.db2.gz DAHJRBIOVGYXNE-LBPRGKRZSA-N 1 1 375.516 3.126 20 5 GGBDMO CCC(CC)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000179565455 565990505 /nfs/dbraw/zinc/99/05/05/565990505.db2.gz LCQFEVRRKNLELA-AWEZNQCLSA-N 1 1 389.543 3.372 20 5 GGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCC[C@@H](C)C1 ZINC000246176207 566020076 /nfs/dbraw/zinc/02/00/76/566020076.db2.gz JPMGXJBQGHBSJU-VXGBXAGGSA-N 1 1 384.274 3.208 20 5 GGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246996451 566048487 /nfs/dbraw/zinc/04/84/87/566048487.db2.gz PSCSGWZJINIEBC-YPMHNXCESA-N 1 1 382.258 3.056 20 5 GGBDMO CC[C@@H](CSC)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000180686091 566081748 /nfs/dbraw/zinc/08/17/48/566081748.db2.gz ZNYQLOFTDXDMDE-JTQLQIEISA-N 1 1 390.303 3.369 20 5 GGBDMO O=[N+]([O-])c1cc(I)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674215 566115674 /nfs/dbraw/zinc/11/56/74/566115674.db2.gz PRJNMKOQANOXOC-RYUDHWBXSA-N 1 1 387.221 3.238 20 5 GGBDMO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289924213 566147877 /nfs/dbraw/zinc/14/78/77/566147877.db2.gz OTWKFJYSSAFNIS-AWEZNQCLSA-N 1 1 395.283 3.136 20 5 GGBDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289924213 566147883 /nfs/dbraw/zinc/14/78/83/566147883.db2.gz OTWKFJYSSAFNIS-AWEZNQCLSA-N 1 1 395.283 3.136 20 5 GGBDMO C[NH+](C)CCN(CC1CCCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181532416 566147807 /nfs/dbraw/zinc/14/78/07/566147807.db2.gz OUDKMQCYDBIKIC-UHFFFAOYSA-N 1 1 389.543 3.008 20 5 GGBDMO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000181731459 566162139 /nfs/dbraw/zinc/16/21/39/566162139.db2.gz IGEKMAZCGFQWIT-HNNXBMFYSA-N 1 1 383.857 3.137 20 5 GGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000366960366 566178442 /nfs/dbraw/zinc/17/84/42/566178442.db2.gz HLRZLAPLIODSOX-INIZCTEOSA-N 1 1 390.237 3.274 20 5 GGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000366960366 566178447 /nfs/dbraw/zinc/17/84/47/566178447.db2.gz HLRZLAPLIODSOX-INIZCTEOSA-N 1 1 390.237 3.274 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000367066164 566183280 /nfs/dbraw/zinc/18/32/80/566183280.db2.gz IECYOOCEUKEMIA-UHFFFAOYSA-N 1 1 393.241 3.129 20 5 GGBDMO CC(C)[NH+]1CCC(O)(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290770066 566187810 /nfs/dbraw/zinc/18/78/10/566187810.db2.gz BCEMRNQRDBULBC-UHFFFAOYSA-N 1 1 376.284 3.227 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000368496785 566240560 /nfs/dbraw/zinc/24/05/60/566240560.db2.gz RYLVBJUWMGVRKZ-UHFFFAOYSA-N 1 1 396.285 3.366 20 5 GGBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1Br ZINC000534868710 566262133 /nfs/dbraw/zinc/26/21/33/566262133.db2.gz GKZWEWHGZHSNNN-UHFFFAOYSA-N 1 1 394.269 3.431 20 5 GGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1Br ZINC000534868710 566262138 /nfs/dbraw/zinc/26/21/38/566262138.db2.gz GKZWEWHGZHSNNN-UHFFFAOYSA-N 1 1 394.269 3.431 20 5 GGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599493001 566268996 /nfs/dbraw/zinc/26/89/96/566268996.db2.gz HXUWCJLMQWSLDP-LBPRGKRZSA-N 1 1 384.274 3.352 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599571327 566274926 /nfs/dbraw/zinc/27/49/26/566274926.db2.gz BZXVPDRADAEJQF-UHFFFAOYSA-N 1 1 381.230 3.072 20 5 GGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599827450 566299346 /nfs/dbraw/zinc/29/93/46/566299346.db2.gz BNRCEASRQGDYDU-LBPRGKRZSA-N 1 1 382.258 3.104 20 5 GGBDMO C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000599966120 566306218 /nfs/dbraw/zinc/30/62/18/566306218.db2.gz NSOCFCJFEJSCRH-LBPRGKRZSA-N 1 1 396.285 3.304 20 5 GGBDMO Cc1c(Br)cc(C(=O)NCc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000556497750 566308618 /nfs/dbraw/zinc/30/86/18/566308618.db2.gz WENYVDYVMNVMCU-UHFFFAOYSA-N 1 1 393.241 3.129 20 5 GGBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCCC[C@@H]1C ZINC000445823055 566313045 /nfs/dbraw/zinc/31/30/45/566313045.db2.gz ZYOJQNAQCNBYKK-QWHCGFSZSA-N 1 1 398.301 3.279 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000509632385 566322919 /nfs/dbraw/zinc/32/29/19/566322919.db2.gz GUDQKLXWKPFPNF-KBPBESRZSA-N 1 1 382.258 3.022 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000420980637 566332679 /nfs/dbraw/zinc/33/26/79/566332679.db2.gz XCICFLJQXMWSMS-CQSZACIVSA-N 1 1 379.258 3.261 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600315313 566332934 /nfs/dbraw/zinc/33/29/34/566332934.db2.gz RSKJUFXTXKIDME-GFCCVEGCSA-N 1 1 384.274 3.127 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420973539 566333609 /nfs/dbraw/zinc/33/36/09/566333609.db2.gz NMHUPMAQBXHLMY-ZDUSSCGKSA-N 1 1 379.258 3.298 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420973539 566333615 /nfs/dbraw/zinc/33/36/15/566333615.db2.gz NMHUPMAQBXHLMY-ZDUSSCGKSA-N 1 1 379.258 3.298 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000482976652 566347996 /nfs/dbraw/zinc/34/79/96/566347996.db2.gz XLFIKVCSEJCJKC-NSHDSACASA-N 1 1 393.241 3.350 20 5 GGBDMO C[C@H]1C[C@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[N@H+]1C ZINC000462875451 566362918 /nfs/dbraw/zinc/36/29/18/566362918.db2.gz MFUMJLXTTWRLLY-CMPLNLGQSA-N 1 1 379.258 3.222 20 5 GGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)c(Cl)c1 ZINC000601153407 566393509 /nfs/dbraw/zinc/39/35/09/566393509.db2.gz YERRDIWACNWUIM-UHFFFAOYSA-N 1 1 378.885 3.486 20 5 GGBDMO C[N@H+](CCc1cccc(Br)c1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000463416834 566409364 /nfs/dbraw/zinc/40/93/64/566409364.db2.gz OCTULPIQLVNRME-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO C[N@@H+](CCc1cccc(Br)c1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000463416834 566409370 /nfs/dbraw/zinc/40/93/70/566409370.db2.gz OCTULPIQLVNRME-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000577236395 566417513 /nfs/dbraw/zinc/41/75/13/566417513.db2.gz VBZFORHZTHRUJT-OAHLLOKOSA-N 1 1 384.274 3.078 20 5 GGBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCC[NH+]1CCSCC1 ZINC000447692800 566422608 /nfs/dbraw/zinc/42/26/08/566422608.db2.gz IRQMXHQMTRQHFE-UHFFFAOYSA-N 1 1 386.346 3.105 20 5 GGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(Br)cc1 ZINC000511109365 566438021 /nfs/dbraw/zinc/43/80/21/566438021.db2.gz UDAWETPQROZHFK-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(Br)cc1 ZINC000511109365 566438027 /nfs/dbraw/zinc/43/80/27/566438027.db2.gz UDAWETPQROZHFK-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)C1 ZINC000558027660 566443053 /nfs/dbraw/zinc/44/30/53/566443053.db2.gz RPZBPBMUCDZYDT-MQIPJXDCSA-N 1 1 396.285 3.160 20 5 GGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558028021 566443139 /nfs/dbraw/zinc/44/31/39/566443139.db2.gz ZQRQVKRHHWVODI-MKBNYLNASA-N 1 1 396.285 3.160 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000577753986 566463249 /nfs/dbraw/zinc/46/32/49/566463249.db2.gz NOJNYZUNXSPRSY-UHFFFAOYSA-N 1 1 384.274 3.222 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000448283749 566467214 /nfs/dbraw/zinc/46/72/14/566467214.db2.gz NHDYJFJSHPZKDV-CYBMUJFWSA-N 1 1 398.301 3.455 20 5 GGBDMO Cn1cc(C[C@H]2CC[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)cn1 ZINC000602483120 566473449 /nfs/dbraw/zinc/47/34/49/566473449.db2.gz LGXOYGZFTMAWBN-SNVBAGLBSA-N 1 1 385.287 3.217 20 5 GGBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)cn1 ZINC000602483120 566473455 /nfs/dbraw/zinc/47/34/55/566473455.db2.gz LGXOYGZFTMAWBN-SNVBAGLBSA-N 1 1 385.287 3.217 20 5 GGBDMO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602518817 566476677 /nfs/dbraw/zinc/47/66/77/566476677.db2.gz UACPCGFCHGUWPC-UHFFFAOYSA-N 1 1 398.282 3.167 20 5 GGBDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000538098820 566491546 /nfs/dbraw/zinc/49/15/46/566491546.db2.gz LGJDCZVRRKUWFF-GXTWGEPZSA-N 1 1 391.269 3.422 20 5 GGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000538098820 566491551 /nfs/dbraw/zinc/49/15/51/566491551.db2.gz LGJDCZVRRKUWFF-GXTWGEPZSA-N 1 1 391.269 3.422 20 5 GGBDMO C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000558962876 566516194 /nfs/dbraw/zinc/51/61/94/566516194.db2.gz DHTMQOCWUUEPEV-PHIMTYICSA-N 1 1 379.258 3.434 20 5 GGBDMO C[C@H]1C[N@H+](C2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000425406272 566639722 /nfs/dbraw/zinc/63/97/22/566639722.db2.gz MKPBXVBDOGFJPA-ZDUSSCGKSA-N 1 1 398.301 3.042 20 5 GGBDMO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000425411256 566640315 /nfs/dbraw/zinc/64/03/15/566640315.db2.gz YIAJXLDVDLEVFZ-ZDUSSCGKSA-N 1 1 383.242 3.132 20 5 GGBDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425415883 566642165 /nfs/dbraw/zinc/64/21/65/566642165.db2.gz FXYJMXUCOTVWBL-UHFFFAOYSA-N 1 1 386.290 3.388 20 5 GGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000425447921 566643917 /nfs/dbraw/zinc/64/39/17/566643917.db2.gz QESBQEVQFDTMFH-GOSISDBHSA-N 1 1 391.265 3.493 20 5 GGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000425447921 566643920 /nfs/dbraw/zinc/64/39/20/566643920.db2.gz QESBQEVQFDTMFH-GOSISDBHSA-N 1 1 391.265 3.493 20 5 GGBDMO Cc1sc(S(=O)(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467405623 566645247 /nfs/dbraw/zinc/64/52/47/566645247.db2.gz QRCGAGVPHRCOEV-BETUJISGSA-N 1 1 389.543 3.001 20 5 GGBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425469768 566646855 /nfs/dbraw/zinc/64/68/55/566646855.db2.gz FDJCRQSMPYUBBJ-CYBMUJFWSA-N 1 1 398.301 3.042 20 5 GGBDMO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000487092834 566648060 /nfs/dbraw/zinc/64/80/60/566648060.db2.gz IFHRGLPXROWJKL-QWRGUYRKSA-N 1 1 396.296 3.053 20 5 GGBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425489803 566649346 /nfs/dbraw/zinc/64/93/46/566649346.db2.gz YFSQCTDJTDNFKP-UHFFFAOYSA-N 1 1 384.274 3.096 20 5 GGBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000425480611 566649511 /nfs/dbraw/zinc/64/95/11/566649511.db2.gz PFSPEXRLKZYFKF-MRXNPFEDSA-N 1 1 379.254 3.393 20 5 GGBDMO Cc1nc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])sc1Br ZINC000580315740 566682724 /nfs/dbraw/zinc/68/27/24/566682724.db2.gz JHGDKLAZRLGVRC-UHFFFAOYSA-N 1 1 399.270 3.241 20 5 GGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000468476744 566704505 /nfs/dbraw/zinc/70/45/05/566704505.db2.gz XAKIPQFPJRUGNV-AWEZNQCLSA-N 1 1 384.274 3.208 20 5 GGBDMO O=[N+]([O-])c1ccc(OCC[N@H+](CCO)Cc2cccc(Br)c2)cc1 ZINC000488157937 566710783 /nfs/dbraw/zinc/71/07/83/566710783.db2.gz FIIHKGNEWVMWIG-UHFFFAOYSA-N 1 1 395.253 3.231 20 5 GGBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)Cc2cccc(Br)c2)cc1 ZINC000488191293 566712869 /nfs/dbraw/zinc/71/28/69/566712869.db2.gz UUVHQNCMPMYISN-UHFFFAOYSA-N 1 1 379.254 3.394 20 5 GGBDMO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000561527673 566715327 /nfs/dbraw/zinc/71/53/27/566715327.db2.gz LXTXOWZEMIEBLQ-GFCCVEGCSA-N 1 1 396.285 3.304 20 5 GGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000541577688 566734481 /nfs/dbraw/zinc/73/44/81/566734481.db2.gz WMXRCMVGTNUPBQ-GFCCVEGCSA-N 1 1 394.273 3.489 20 5 GGBDMO Cc1c(Br)c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000488718525 566742842 /nfs/dbraw/zinc/74/28/42/566742842.db2.gz UYJUGJYTSOSWQE-NTZNESFSSA-N 1 1 383.290 3.227 20 5 GGBDMO Cc1c(Br)c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000488764443 566746554 /nfs/dbraw/zinc/74/65/54/566746554.db2.gz LRNUWKQXJQMQHP-NSHDSACASA-N 1 1 383.290 3.371 20 5 GGBDMO CC(C)[N@H+]1CC[C@H](CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000609560674 566769749 /nfs/dbraw/zinc/76/97/49/566769749.db2.gz JLBXMPJFHHCYRB-GFCCVEGCSA-N 1 1 393.285 3.470 20 5 GGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000562254301 566775388 /nfs/dbraw/zinc/77/53/88/566775388.db2.gz NOPFHGNWEGRTOI-LBPRGKRZSA-N 1 1 386.290 3.136 20 5 GGBDMO Cc1c(Br)c(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000542507661 566807344 /nfs/dbraw/zinc/80/73/44/566807344.db2.gz SFOISIWBEJBQLO-CYBMUJFWSA-N 1 1 383.290 3.229 20 5 GGBDMO CC[N@H+]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000610515237 566840000 /nfs/dbraw/zinc/84/00/00/566840000.db2.gz KVYQANZGBOGUFQ-UHFFFAOYSA-N 1 1 379.258 3.438 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000610770007 566861363 /nfs/dbraw/zinc/86/13/63/566861363.db2.gz HQVLJXPNOIWQHE-OAHLLOKOSA-N 1 1 391.269 3.463 20 5 GGBDMO C[C@@H]1COCC[N@H+]1C1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000582428800 566861422 /nfs/dbraw/zinc/86/14/22/566861422.db2.gz ZXNAVJIKRPDSTA-CYBMUJFWSA-N 1 1 398.301 3.042 20 5 GGBDMO CSc1ccc(F)cc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000582541744 566871863 /nfs/dbraw/zinc/87/18/63/566871863.db2.gz PFOPNMNJQVRDGD-UHFFFAOYSA-N 1 1 384.454 3.019 20 5 GGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CO)c3ccc(Br)cc3)nc2c1 ZINC000428791864 566879590 /nfs/dbraw/zinc/87/95/90/566879590.db2.gz UUFYMUWCOXDTOI-HNNXBMFYSA-N 1 1 391.225 3.057 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000611227599 566902311 /nfs/dbraw/zinc/90/23/11/566902311.db2.gz GOFZNMJPXQTUKC-CQSZACIVSA-N 1 1 391.269 3.463 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429140600 566910060 /nfs/dbraw/zinc/91/00/60/566910060.db2.gz YVTCTNXLKHVZGJ-MRXNPFEDSA-N 1 1 379.869 3.277 20 5 GGBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000563916289 566928470 /nfs/dbraw/zinc/92/84/70/566928470.db2.gz LWTHNHKUEQFRQG-CQSZACIVSA-N 1 1 384.274 3.304 20 5 GGBDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000452101345 566934599 /nfs/dbraw/zinc/93/45/99/566934599.db2.gz GFICPBKVZNDBGS-NSHDSACASA-N 1 1 396.296 3.005 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000452175099 566948203 /nfs/dbraw/zinc/94/82/03/566948203.db2.gz RTMCBMFXTNNQCW-LLVKDONJSA-N 1 1 396.285 3.222 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000429954386 566969957 /nfs/dbraw/zinc/96/99/57/566969957.db2.gz VJPQURYZHWQXDP-NEPJUHHUSA-N 1 1 384.274 3.350 20 5 GGBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000583662451 566971085 /nfs/dbraw/zinc/97/10/85/566971085.db2.gz DFHPAHQIMTUQQR-NSHDSACASA-N 1 1 378.235 3.137 20 5 GGBDMO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000452569820 566992343 /nfs/dbraw/zinc/99/23/43/566992343.db2.gz FFJZAJWPSGRUOA-GFCCVEGCSA-N 1 1 383.901 3.283 20 5 GGBDMO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000472231267 567011490 /nfs/dbraw/zinc/01/14/90/567011490.db2.gz PFESIEDGJQIRPH-OAHLLOKOSA-N 1 1 395.257 3.400 20 5 GGBDMO COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000472231267 567011491 /nfs/dbraw/zinc/01/14/91/567011491.db2.gz PFESIEDGJQIRPH-OAHLLOKOSA-N 1 1 395.257 3.400 20 5 GGBDMO CN(CC[N@@H+](C)C1CC1)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000472683668 567045096 /nfs/dbraw/zinc/04/50/96/567045096.db2.gz NGJAVBRFMJUXDF-UHFFFAOYSA-N 1 1 379.258 3.436 20 5 GGBDMO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000431641687 567099036 /nfs/dbraw/zinc/09/90/36/567099036.db2.gz WQBBYTSTIYAHIE-VXGBXAGGSA-N 1 1 384.274 3.350 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000431641686 567099706 /nfs/dbraw/zinc/09/97/06/567099706.db2.gz WQBBYTSTIYAHIE-RYUDHWBXSA-N 1 1 384.274 3.350 20 5 GGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431789624 567107783 /nfs/dbraw/zinc/10/77/83/567107783.db2.gz BOAVBFDKMRMIBD-NEPJUHHUSA-N 1 1 384.274 3.208 20 5 GGBDMO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000589252257 567170137 /nfs/dbraw/zinc/17/01/37/567170137.db2.gz QFPATUHEUBDNDF-LLVKDONJSA-N 1 1 390.221 3.058 20 5 GGBDMO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000589258463 567170414 /nfs/dbraw/zinc/17/04/14/567170414.db2.gz CMTLETAASUUQNU-SNVBAGLBSA-N 1 1 383.189 3.445 20 5 GGBDMO O=C(NCC(F)(F)F)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000523843442 567173453 /nfs/dbraw/zinc/17/34/53/567173453.db2.gz VBFWOHNSNFEDHA-UHFFFAOYSA-N 1 1 379.766 3.139 20 5 GGBDMO CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000523908796 567176325 /nfs/dbraw/zinc/17/63/25/567176325.db2.gz QAZRCEITIBZRIW-CYBMUJFWSA-N 1 1 389.905 3.181 20 5 GGBDMO C[N@H+]1CC[C@@]2(CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C2)C1 ZINC000589879252 567195897 /nfs/dbraw/zinc/19/58/97/567195897.db2.gz XSVJOAFZGVCKEC-QGZVFWFLSA-N 1 1 391.269 3.438 20 5 GGBDMO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433187506 567229520 /nfs/dbraw/zinc/22/95/20/567229520.db2.gz AKJPUUQUKXJDNQ-CYBMUJFWSA-N 1 1 387.889 3.031 20 5 GGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433187506 567229523 /nfs/dbraw/zinc/22/95/23/567229523.db2.gz AKJPUUQUKXJDNQ-CYBMUJFWSA-N 1 1 387.889 3.031 20 5 GGBDMO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCSC1 ZINC000433197216 567230647 /nfs/dbraw/zinc/23/06/47/567230647.db2.gz QMJSEPUOFRNAGK-ZDUSSCGKSA-N 1 1 387.889 3.031 20 5 GGBDMO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCSC1 ZINC000433197216 567230653 /nfs/dbraw/zinc/23/06/53/567230653.db2.gz QMJSEPUOFRNAGK-ZDUSSCGKSA-N 1 1 387.889 3.031 20 5 GGBDMO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCSC1 ZINC000433197215 567231088 /nfs/dbraw/zinc/23/10/88/567231088.db2.gz QMJSEPUOFRNAGK-CYBMUJFWSA-N 1 1 387.889 3.031 20 5 GGBDMO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCSC1 ZINC000433197215 567231091 /nfs/dbraw/zinc/23/10/91/567231091.db2.gz QMJSEPUOFRNAGK-CYBMUJFWSA-N 1 1 387.889 3.031 20 5 GGBDMO CCC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(C)O ZINC000567283049 567233439 /nfs/dbraw/zinc/23/34/39/567233439.db2.gz VMVRIECWFSSDFN-UHFFFAOYSA-N 1 1 392.237 3.182 20 5 GGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000525396701 567246330 /nfs/dbraw/zinc/24/63/30/567246330.db2.gz XHYPZTBAACORCF-NWDGAFQWSA-N 1 1 384.274 3.302 20 5 GGBDMO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000475572960 567259468 /nfs/dbraw/zinc/25/94/68/567259468.db2.gz HAOCDDSBDSQXKK-UHFFFAOYSA-N 1 1 384.841 3.494 20 5 GGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000475572960 567259472 /nfs/dbraw/zinc/25/94/72/567259472.db2.gz HAOCDDSBDSQXKK-UHFFFAOYSA-N 1 1 384.841 3.494 20 5 GGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000434449677 567310008 /nfs/dbraw/zinc/31/00/08/567310008.db2.gz GCFSZVZRWWTKQC-ZDUSSCGKSA-N 1 1 382.258 3.104 20 5 GGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000434449676 567310201 /nfs/dbraw/zinc/31/02/01/567310201.db2.gz GCFSZVZRWWTKQC-CYBMUJFWSA-N 1 1 382.258 3.104 20 5 GGBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H]1CC[N@@H+](C)C1 ZINC000592829806 567367826 /nfs/dbraw/zinc/36/78/26/567367826.db2.gz ZUZSUDFPYYUUAM-LBPRGKRZSA-N 1 1 384.274 3.222 20 5 GGBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000435592224 567377165 /nfs/dbraw/zinc/37/71/65/567377165.db2.gz JWLATCUSDJPYIA-CYBMUJFWSA-N 1 1 387.527 3.269 20 5 GGBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2C2CCCCC2)s1 ZINC000435592224 567377168 /nfs/dbraw/zinc/37/71/68/567377168.db2.gz JWLATCUSDJPYIA-CYBMUJFWSA-N 1 1 387.527 3.269 20 5 GGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1cccc(Br)c1 ZINC000501429282 567389039 /nfs/dbraw/zinc/38/90/39/567389039.db2.gz XINWOTHXSNKVPH-QGZVFWFLSA-N 1 1 395.253 3.402 20 5 GGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000550711536 567458922 /nfs/dbraw/zinc/45/89/22/567458922.db2.gz YOARTZFRGNIRRX-LLVKDONJSA-N 1 1 383.857 3.055 20 5 GGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594196074 567464583 /nfs/dbraw/zinc/46/45/83/567464583.db2.gz KPGRPXRUPKUQDF-UONOGXRCSA-N 1 1 382.258 3.104 20 5 GGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594196663 567464651 /nfs/dbraw/zinc/46/46/51/567464651.db2.gz LJZOOVOYOFYKMX-KGLIPLIRSA-N 1 1 383.901 3.473 20 5 GGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1sc(Br)cc1[N+](=O)[O-] ZINC000594195782 567464912 /nfs/dbraw/zinc/46/49/12/567464912.db2.gz JEHQNAHIHQTDME-NXEZZACHSA-N 1 1 388.287 3.166 20 5 GGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594196659 567465236 /nfs/dbraw/zinc/46/52/36/567465236.db2.gz LJZOOVOYOFYKMX-KBPBESRZSA-N 1 1 383.901 3.473 20 5 GGBDMO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570392941 567482013 /nfs/dbraw/zinc/48/20/13/567482013.db2.gz TWCICCOAORXMCG-CYBMUJFWSA-N 1 1 379.258 3.391 20 5 GGBDMO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570392941 567482017 /nfs/dbraw/zinc/48/20/17/567482017.db2.gz TWCICCOAORXMCG-CYBMUJFWSA-N 1 1 379.258 3.391 20 5 GGBDMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000479068251 567500814 /nfs/dbraw/zinc/50/08/14/567500814.db2.gz YOJACTHGSQJSBI-JTQLQIEISA-N 1 1 379.214 3.042 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000551781701 567534695 /nfs/dbraw/zinc/53/46/95/567534695.db2.gz JGFGDFGHHAQYOS-UHFFFAOYSA-N 1 1 382.258 3.048 20 5 GGBDMO COc1ncc(Br)cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595482870 567566959 /nfs/dbraw/zinc/56/69/59/567566959.db2.gz CHDJSKNXKAVXSJ-UHFFFAOYSA-N 1 1 380.242 3.435 20 5 GGBDMO COc1ncc(Br)cc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595482870 567566962 /nfs/dbraw/zinc/56/69/62/567566962.db2.gz CHDJSKNXKAVXSJ-UHFFFAOYSA-N 1 1 380.242 3.435 20 5 GGBDMO C[N@@H+](CC1=CCSC1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000595887227 567589907 /nfs/dbraw/zinc/58/99/07/567589907.db2.gz BVRJRTMHMSWUCQ-UHFFFAOYSA-N 1 1 390.246 3.304 20 5 GGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000531509126 567662599 /nfs/dbraw/zinc/66/25/99/567662599.db2.gz CRLQXECYVMIBED-UHFFFAOYSA-N 1 1 398.301 3.233 20 5 GGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000553674291 567675122 /nfs/dbraw/zinc/67/51/22/567675122.db2.gz HNUWIYJEKMYWIG-ZDUSSCGKSA-N 1 1 384.274 3.270 20 5 GGBDMO Cc1c(Br)c(N2CC([N@@H+](C)Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000553676159 567675348 /nfs/dbraw/zinc/67/53/48/567675348.db2.gz FNCGSMKCKKCANY-UHFFFAOYSA-N 1 1 391.269 3.381 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481732879 567700227 /nfs/dbraw/zinc/70/02/27/567700227.db2.gz DXHNLKRAWJWZHH-AWEZNQCLSA-N 1 1 383.221 3.471 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000597710139 567712851 /nfs/dbraw/zinc/71/28/51/567712851.db2.gz HXZXWWOKLOXKQO-KRWDZBQOSA-N 1 1 396.285 3.224 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000597710140 567713099 /nfs/dbraw/zinc/71/30/99/567713099.db2.gz HXZXWWOKLOXKQO-QGZVFWFLSA-N 1 1 396.285 3.224 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597924452 567726023 /nfs/dbraw/zinc/72/60/23/567726023.db2.gz RVTAYNSLQRYLBN-NSHDSACASA-N 1 1 384.274 3.268 20 5 GGBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573964749 567747362 /nfs/dbraw/zinc/74/73/62/567747362.db2.gz WBEBJQHLROKPAP-AWEZNQCLSA-N 1 1 390.221 3.200 20 5 GGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443504571 567763970 /nfs/dbraw/zinc/76/39/70/567763970.db2.gz YCYXAHNVLMIKHG-GHMZBOCLSA-N 1 1 379.258 3.434 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598976535 567801662 /nfs/dbraw/zinc/80/16/62/567801662.db2.gz XDKSZUPSRPVUMA-LBPRGKRZSA-N 1 1 384.274 3.352 20 5 GGBDMO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000599065300 567804815 /nfs/dbraw/zinc/80/48/15/567804815.db2.gz KBOZWYYJJVVFOZ-RYUDHWBXSA-N 1 1 384.274 3.350 20 5 GGBDMO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000599071142 567804976 /nfs/dbraw/zinc/80/49/76/567804976.db2.gz QYAPQMYXVLQYDJ-NWDGAFQWSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000599065302 567805173 /nfs/dbraw/zinc/80/51/73/567805173.db2.gz KBOZWYYJJVVFOZ-VXGBXAGGSA-N 1 1 384.274 3.350 20 5 GGBDMO CCc1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000007979770 570596600 /nfs/dbraw/zinc/59/66/00/570596600.db2.gz SAMZVMWJWJPUIH-IBGZPJMESA-N 1 1 391.493 3.276 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012748289 570993107 /nfs/dbraw/zinc/99/31/07/570993107.db2.gz IIBPZOMYPLJJEO-INIZCTEOSA-N 1 1 377.828 3.290 20 5 GGBDMO C[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820669141 606199248 /nfs/dbraw/zinc/19/92/48/606199248.db2.gz YWQMNHCEGRZQAP-YOEHRIQHSA-N 1 1 393.451 3.240 20 5 GGBDMO COc1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000054227443 1406660621 /nfs/dbraw/zinc/66/06/21/1406660621.db2.gz XYFAFXBEZFHRSK-HOCLYGCPSA-N 1 1 399.447 3.177 20 5 GGBDMO COc1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000054227444 1406660730 /nfs/dbraw/zinc/66/07/30/1406660730.db2.gz XYFAFXBEZFHRSK-ZBFHGGJFSA-N 1 1 399.447 3.177 20 5 GGBDMO COc1cc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000054260500 1406669044 /nfs/dbraw/zinc/66/90/44/1406669044.db2.gz CXKGMEIDKLDOOF-OKILXGFUSA-N 1 1 393.484 3.098 20 5 GGBDMO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000054676858 1406803509 /nfs/dbraw/zinc/80/35/09/1406803509.db2.gz OUYHWOUWPIEMRD-SMDDNHRTSA-N 1 1 384.396 3.277 20 5 GGBDMO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000054676858 1406803511 /nfs/dbraw/zinc/80/35/11/1406803511.db2.gz OUYHWOUWPIEMRD-SMDDNHRTSA-N 1 1 384.396 3.277 20 5 GGBDMO COc1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000055029505 1406872621 /nfs/dbraw/zinc/87/26/21/1406872621.db2.gz NJVDZTNPEHLSRH-UHFFFAOYSA-N 1 1 390.484 3.200 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000055152363 1406894536 /nfs/dbraw/zinc/89/45/36/1406894536.db2.gz KANYXQLRHRLYKZ-VXGBXAGGSA-N 1 1 391.399 3.429 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000055152663 1406894989 /nfs/dbraw/zinc/89/49/89/1406894989.db2.gz VAJCBVGMALAFPW-VXGBXAGGSA-N 1 1 391.399 3.429 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055404714 1406950142 /nfs/dbraw/zinc/95/01/42/1406950142.db2.gz SJLLPGBNVQMVMG-ZWKOTPCHSA-N 1 1 391.515 3.391 20 5 GGBDMO CCOc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000008367131 1398826911 /nfs/dbraw/zinc/82/69/11/1398826911.db2.gz CTYGHSSOIWVPKT-MRXNPFEDSA-N 1 1 399.447 3.006 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000008367137 1398827014 /nfs/dbraw/zinc/82/70/14/1398827014.db2.gz WRDWOGGQYUUMCX-MRXNPFEDSA-N 1 1 399.447 3.006 20 5 GGBDMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000010228901 1398881746 /nfs/dbraw/zinc/88/17/46/1398881746.db2.gz LAQBXWWHJNLEJG-LJQANCHMSA-N 1 1 381.432 3.330 20 5 GGBDMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000010228901 1398881749 /nfs/dbraw/zinc/88/17/49/1398881749.db2.gz LAQBXWWHJNLEJG-LJQANCHMSA-N 1 1 381.432 3.330 20 5 GGBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(OC)c(OC)c1 ZINC000011366809 1398974275 /nfs/dbraw/zinc/97/42/75/1398974275.db2.gz XWFOWMBCTWXTBH-UHFFFAOYSA-N 1 1 399.447 3.023 20 5 GGBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(OC)c(OC)c1 ZINC000011366809 1398974281 /nfs/dbraw/zinc/97/42/81/1398974281.db2.gz XWFOWMBCTWXTBH-UHFFFAOYSA-N 1 1 399.447 3.023 20 5 GGBDMO COc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000011516968 1398988507 /nfs/dbraw/zinc/98/85/07/1398988507.db2.gz XDYZLGJDABGUIP-UHFFFAOYSA-N 1 1 378.432 3.474 20 5 GGBDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000012994849 1399071836 /nfs/dbraw/zinc/07/18/36/1399071836.db2.gz WRJUEHXZBWOZRG-QGZVFWFLSA-N 1 1 385.420 3.048 20 5 GGBDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000012994849 1399071846 /nfs/dbraw/zinc/07/18/46/1399071846.db2.gz WRJUEHXZBWOZRG-QGZVFWFLSA-N 1 1 385.420 3.048 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCOc1cccc(C)c1 ZINC000015100877 1399139361 /nfs/dbraw/zinc/13/93/61/1399139361.db2.gz JWJLOPWBQMIGFM-HNNXBMFYSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCOc1cccc(C)c1 ZINC000015100877 1399139363 /nfs/dbraw/zinc/13/93/63/1399139363.db2.gz JWJLOPWBQMIGFM-HNNXBMFYSA-N 1 1 387.436 3.250 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015507833 1399167807 /nfs/dbraw/zinc/16/78/07/1399167807.db2.gz JKXKCSVJEHHURD-HNNXBMFYSA-N 1 1 396.447 3.273 20 5 GGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000015988745 1399202198 /nfs/dbraw/zinc/20/21/98/1399202198.db2.gz ZUSGZJUXYUOHEY-MRXNPFEDSA-N 1 1 388.380 3.053 20 5 GGBDMO CCc1ccc([C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[NH+](C)C)cc1 ZINC000016088128 1399208498 /nfs/dbraw/zinc/20/84/98/1399208498.db2.gz BQCLHGGITHTHER-GOSISDBHSA-N 1 1 391.493 3.047 20 5 GGBDMO CCN1C[C@@H](C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)Oc2ccccc21 ZINC000016423354 1399240239 /nfs/dbraw/zinc/24/02/39/1399240239.db2.gz TXDSNNSNIRHMSA-GOSISDBHSA-N 1 1 399.447 3.181 20 5 GGBDMO CCN1C[C@@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)Oc2ccccc21 ZINC000016423354 1399240245 /nfs/dbraw/zinc/24/02/45/1399240245.db2.gz TXDSNNSNIRHMSA-GOSISDBHSA-N 1 1 399.447 3.181 20 5 GGBDMO COc1ccc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000016474833 1399244639 /nfs/dbraw/zinc/24/46/39/1399244639.db2.gz KADVWWYMBVXVPC-UHFFFAOYSA-N 1 1 383.448 3.497 20 5 GGBDMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])cc1 ZINC000016562534 1399249542 /nfs/dbraw/zinc/24/95/42/1399249542.db2.gz FVENFBNDSZNIRL-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])cc1 ZINC000016562534 1399249544 /nfs/dbraw/zinc/24/95/44/1399249544.db2.gz FVENFBNDSZNIRL-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000017305941 1399278805 /nfs/dbraw/zinc/27/88/05/1399278805.db2.gz JBTLZCCVBQBQEM-HNNXBMFYSA-N 1 1 394.435 3.115 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000017305941 1399278809 /nfs/dbraw/zinc/27/88/09/1399278809.db2.gz JBTLZCCVBQBQEM-HNNXBMFYSA-N 1 1 394.435 3.115 20 5 GGBDMO COc1ccc(C)cc1C[NH+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000023854272 1399586721 /nfs/dbraw/zinc/58/67/21/1399586721.db2.gz PMOVGMYQPRMIHD-UHFFFAOYSA-N 1 1 395.463 3.037 20 5 GGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000055643681 1407039644 /nfs/dbraw/zinc/03/96/44/1407039644.db2.gz WXPLSHUPEQMFIH-UHFFFAOYSA-N 1 1 391.518 3.379 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000023985059 1399594032 /nfs/dbraw/zinc/59/40/32/1399594032.db2.gz CZXURDUSKAHXJF-INIZCTEOSA-N 1 1 377.828 3.290 20 5 GGBDMO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000024743927 1399666025 /nfs/dbraw/zinc/66/60/25/1399666025.db2.gz FTVFFCDSAJDVIG-AWEZNQCLSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000024743927 1399666027 /nfs/dbraw/zinc/66/60/27/1399666027.db2.gz FTVFFCDSAJDVIG-AWEZNQCLSA-N 1 1 387.436 3.379 20 5 GGBDMO CNc1ccc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025460293 1399811057 /nfs/dbraw/zinc/81/10/57/1399811057.db2.gz LUSUSLRNPMKPJQ-UHFFFAOYSA-N 1 1 382.464 3.203 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[NH+](Cc4cccs4)CC3)o2)cc1 ZINC000025799468 1399837502 /nfs/dbraw/zinc/83/75/02/1399837502.db2.gz OIJZLKPIQVYQKK-UHFFFAOYSA-N 1 1 385.449 3.024 20 5 GGBDMO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000025939601 1399848285 /nfs/dbraw/zinc/84/82/85/1399848285.db2.gz SIHZCLYFCCPWNQ-OAHLLOKOSA-N 1 1 385.489 3.250 20 5 GGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c2c(c1)COCO2 ZINC000026117306 1399861582 /nfs/dbraw/zinc/86/15/82/1399861582.db2.gz ZSGRPYZGSFNFQD-HXUWFJFHSA-N 1 1 384.432 3.407 20 5 GGBDMO Cc1c(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000026160686 1399864959 /nfs/dbraw/zinc/86/49/59/1399864959.db2.gz XRTAMHIUEKFVKN-UHFFFAOYSA-N 1 1 386.427 3.193 20 5 GGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000026225011 1399870977 /nfs/dbraw/zinc/87/09/77/1399870977.db2.gz NCYWXTOXUCTPQJ-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO Cc1cccc(CN2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000026249388 1399873230 /nfs/dbraw/zinc/87/32/30/1399873230.db2.gz DRWQVCAJTBYNED-UHFFFAOYSA-N 1 1 396.491 3.358 20 5 GGBDMO COC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000026321632 1399878121 /nfs/dbraw/zinc/87/81/21/1399878121.db2.gz HFBCAFBCCMTALK-UHFFFAOYSA-N 1 1 385.420 3.150 20 5 GGBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026335741 1399879043 /nfs/dbraw/zinc/87/90/43/1399879043.db2.gz XOPDTLJPJSGXJI-INIZCTEOSA-N 1 1 384.354 3.485 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCOc1ccccc1F ZINC000026337154 1399879567 /nfs/dbraw/zinc/87/95/67/1399879567.db2.gz FCKHVABMXVZGCH-UHFFFAOYSA-N 1 1 375.400 3.382 20 5 GGBDMO Cc1c(NC(=O)CC[NH+]2CCN(CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000026341219 1399880223 /nfs/dbraw/zinc/88/02/23/1399880223.db2.gz PCFDOLLQIUEXED-UHFFFAOYSA-N 1 1 396.491 3.092 20 5 GGBDMO C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000026730070 1399926600 /nfs/dbraw/zinc/92/66/00/1399926600.db2.gz BYFLXRYMQYLDOJ-OAHLLOKOSA-N 1 1 394.475 3.346 20 5 GGBDMO CC(C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000026727781 1399926689 /nfs/dbraw/zinc/92/66/89/1399926689.db2.gz MBNCVWMPGLCEGN-FQEVSTJZSA-N 1 1 382.464 3.189 20 5 GGBDMO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1Cl ZINC000026854922 1399942396 /nfs/dbraw/zinc/94/23/96/1399942396.db2.gz KJRIANQBRQISMY-SNVBAGLBSA-N 1 1 377.784 3.266 20 5 GGBDMO COc1ccc(C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)cc1 ZINC000027279676 1400014555 /nfs/dbraw/zinc/01/45/55/1400014555.db2.gz XMANWTXVBAIRNP-UHFFFAOYSA-N 1 1 381.432 3.157 20 5 GGBDMO COc1ccc(C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)cc1 ZINC000027279676 1400014561 /nfs/dbraw/zinc/01/45/61/1400014561.db2.gz XMANWTXVBAIRNP-UHFFFAOYSA-N 1 1 381.432 3.157 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000027346254 1400022640 /nfs/dbraw/zinc/02/26/40/1400022640.db2.gz OTZBADMINGJWBE-QGZVFWFLSA-N 1 1 377.828 3.046 20 5 GGBDMO C[N@H+](CCOc1cccc(Cl)c1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027373558 1400027677 /nfs/dbraw/zinc/02/76/77/1400027677.db2.gz JBBBZQHBSWVTPT-UHFFFAOYSA-N 1 1 389.839 3.148 20 5 GGBDMO C[N@@H+](CCOc1cccc(Cl)c1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027373558 1400027685 /nfs/dbraw/zinc/02/76/85/1400027685.db2.gz JBBBZQHBSWVTPT-UHFFFAOYSA-N 1 1 389.839 3.148 20 5 GGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000027390327 1400031366 /nfs/dbraw/zinc/03/13/66/1400031366.db2.gz RJVDRZSOYPHGGT-UHFFFAOYSA-N 1 1 393.447 3.128 20 5 GGBDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000027390327 1400031377 /nfs/dbraw/zinc/03/13/77/1400031377.db2.gz RJVDRZSOYPHGGT-UHFFFAOYSA-N 1 1 393.447 3.128 20 5 GGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000027390327 1400031385 /nfs/dbraw/zinc/03/13/85/1400031385.db2.gz RJVDRZSOYPHGGT-UHFFFAOYSA-N 1 1 393.447 3.128 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000027436653 1400037722 /nfs/dbraw/zinc/03/77/22/1400037722.db2.gz LWUOLTTVCOWWRE-UHFFFAOYSA-N 1 1 387.411 3.137 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570582 1400058930 /nfs/dbraw/zinc/05/89/30/1400058930.db2.gz YFRFOTZTOTWACF-HZPDHXFCSA-N 1 1 396.447 3.273 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570582 1400058937 /nfs/dbraw/zinc/05/89/37/1400058937.db2.gz YFRFOTZTOTWACF-HZPDHXFCSA-N 1 1 396.447 3.273 20 5 GGBDMO NC(=O)c1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c([N+](=O)[O-])c1 ZINC000027574867 1400060928 /nfs/dbraw/zinc/06/09/28/1400060928.db2.gz RATYPNHDQDOZMY-UHFFFAOYSA-N 1 1 397.431 3.367 20 5 GGBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(OC)c(OC)c1 ZINC000028248253 1400143112 /nfs/dbraw/zinc/14/31/12/1400143112.db2.gz LRIQSCPENKQRIJ-UHFFFAOYSA-N 1 1 399.447 3.023 20 5 GGBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(OC)c(OC)c1 ZINC000028248253 1400143119 /nfs/dbraw/zinc/14/31/19/1400143119.db2.gz LRIQSCPENKQRIJ-UHFFFAOYSA-N 1 1 399.447 3.023 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC000055798074 1407085190 /nfs/dbraw/zinc/08/51/90/1407085190.db2.gz QFVMPWLZIGQPFG-HZPDHXFCSA-N 1 1 383.448 3.134 20 5 GGBDMO CN(C(=O)C[N@H+](C)Cc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000028933834 1400214182 /nfs/dbraw/zinc/21/41/82/1400214182.db2.gz HYURHNAECJDPTQ-UHFFFAOYSA-N 1 1 379.363 3.291 20 5 GGBDMO CN(C(=O)C[N@@H+](C)Cc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000028933834 1400214189 /nfs/dbraw/zinc/21/41/89/1400214189.db2.gz HYURHNAECJDPTQ-UHFFFAOYSA-N 1 1 379.363 3.291 20 5 GGBDMO CC(C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000029174715 1400253902 /nfs/dbraw/zinc/25/39/02/1400253902.db2.gz FSGTVRBZBXUPRS-NRFANRHFSA-N 1 1 397.475 3.173 20 5 GGBDMO Cc1cccc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000029999672 1400395627 /nfs/dbraw/zinc/39/56/27/1400395627.db2.gz BGCPNZPTVXDTFJ-HXUWFJFHSA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1cccc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000029999672 1400395632 /nfs/dbraw/zinc/39/56/32/1400395632.db2.gz BGCPNZPTVXDTFJ-HXUWFJFHSA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1cccc(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000029999672 1400395637 /nfs/dbraw/zinc/39/56/37/1400395637.db2.gz BGCPNZPTVXDTFJ-HXUWFJFHSA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000055910601 1407132080 /nfs/dbraw/zinc/13/20/80/1407132080.db2.gz FTHBVRHGBWUKSJ-INIZCTEOSA-N 1 1 383.404 3.408 20 5 GGBDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000055910601 1407132092 /nfs/dbraw/zinc/13/20/92/1407132092.db2.gz FTHBVRHGBWUKSJ-INIZCTEOSA-N 1 1 383.404 3.408 20 5 GGBDMO CCOc1ccc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000056039523 1407178527 /nfs/dbraw/zinc/17/85/27/1407178527.db2.gz GBFWIFMTSUAUDD-UHFFFAOYSA-N 1 1 399.447 3.121 20 5 GGBDMO C[C@@H](NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056382872 1407316696 /nfs/dbraw/zinc/31/66/96/1407316696.db2.gz VLKFQUKAQOYHPE-HZPDHXFCSA-N 1 1 382.464 3.402 20 5 GGBDMO C[C@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056393552 1407318369 /nfs/dbraw/zinc/31/83/69/1407318369.db2.gz LHMWNKVNVBNUDL-INIZCTEOSA-N 1 1 382.464 3.403 20 5 GGBDMO C[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000056394255 1407318996 /nfs/dbraw/zinc/31/89/96/1407318996.db2.gz IXPMOYJUBFLYCX-KBPBESRZSA-N 1 1 388.493 3.463 20 5 GGBDMO C[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000056394255 1407319007 /nfs/dbraw/zinc/31/90/07/1407319007.db2.gz IXPMOYJUBFLYCX-KBPBESRZSA-N 1 1 388.493 3.463 20 5 GGBDMO CC[NH+]1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000043304031 1403744167 /nfs/dbraw/zinc/74/41/67/1403744167.db2.gz DENYNRDOSGBALD-FQEVSTJZSA-N 1 1 382.464 3.221 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000044638111 1403970537 /nfs/dbraw/zinc/97/05/37/1403970537.db2.gz WTPFJUBXJOKHNP-HOTGVXAUSA-N 1 1 383.448 3.134 20 5 GGBDMO Cc1cccc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000044637994 1403970552 /nfs/dbraw/zinc/97/05/52/1403970552.db2.gz XKXGTRSAMYQTOW-IRXDYDNUSA-N 1 1 397.475 3.442 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000044637852 1403970808 /nfs/dbraw/zinc/97/08/08/1403970808.db2.gz SXEPMQORFFPZQZ-IYBDPMFKSA-N 1 1 383.448 3.134 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000044637852 1403970817 /nfs/dbraw/zinc/97/08/17/1403970817.db2.gz SXEPMQORFFPZQZ-IYBDPMFKSA-N 1 1 383.448 3.134 20 5 GGBDMO Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000044637990 1403970852 /nfs/dbraw/zinc/97/08/52/1403970852.db2.gz XKXGTRSAMYQTOW-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000044637990 1403970859 /nfs/dbraw/zinc/97/08/59/1403970859.db2.gz XKXGTRSAMYQTOW-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000045528241 1404139777 /nfs/dbraw/zinc/13/97/77/1404139777.db2.gz OYCXEZJSFNVOHV-LJQANCHMSA-N 1 1 382.464 3.178 20 5 GGBDMO CC[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000045625282 1404165594 /nfs/dbraw/zinc/16/55/94/1404165594.db2.gz RYVIDBLYMRFGTJ-LJQANCHMSA-N 1 1 382.464 3.231 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000045650764 1404170060 /nfs/dbraw/zinc/17/00/60/1404170060.db2.gz RORVOUFMHTXQQQ-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000045650764 1404170068 /nfs/dbraw/zinc/17/00/68/1404170068.db2.gz RORVOUFMHTXQQQ-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO Cc1cccc(CN2CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000045799553 1404207656 /nfs/dbraw/zinc/20/76/56/1404207656.db2.gz AQKGFZQJNHGHAB-UHFFFAOYSA-N 1 1 396.491 3.358 20 5 GGBDMO Cc1cccc(CN2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000045799549 1404207854 /nfs/dbraw/zinc/20/78/54/1404207854.db2.gz MBYCPNUIIDSCQP-UHFFFAOYSA-N 1 1 396.491 3.358 20 5 GGBDMO Cc1c(NC(=O)CC[NH+]2CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000045799542 1404207951 /nfs/dbraw/zinc/20/79/51/1404207951.db2.gz PMGPSDYRIUKFIF-UHFFFAOYSA-N 1 1 382.464 3.050 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046149146 1404311608 /nfs/dbraw/zinc/31/16/08/1404311608.db2.gz NAWAOQGZZCNVSF-IYBDPMFKSA-N 1 1 383.448 3.134 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046149146 1404311617 /nfs/dbraw/zinc/31/16/17/1404311617.db2.gz NAWAOQGZZCNVSF-IYBDPMFKSA-N 1 1 383.448 3.134 20 5 GGBDMO C[N@H+]1CCCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000046403818 1404401315 /nfs/dbraw/zinc/40/13/15/1404401315.db2.gz XQGMHTMEAVWNSJ-LFYBBSHMSA-N 1 1 380.448 3.389 20 5 GGBDMO C[N@H+]1CCCN(c2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000046404074 1404401940 /nfs/dbraw/zinc/40/19/40/1404401940.db2.gz JLGGRLZAKUFHIW-UHFFFAOYSA-N 1 1 397.479 3.177 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046432946 1404412049 /nfs/dbraw/zinc/41/20/49/1404412049.db2.gz NDACBPNVZJCMCV-HUUCEWRRSA-N 1 1 399.447 3.465 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046762685 1404581667 /nfs/dbraw/zinc/58/16/67/1404581667.db2.gz AGKLNHGAGKNZMI-CALCHBBNSA-N 1 1 376.501 3.494 20 5 GGBDMO C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000047009917 1404674137 /nfs/dbraw/zinc/67/41/37/1404674137.db2.gz XVEWCQUXBVELQB-CQSZACIVSA-N 1 1 388.493 3.245 20 5 GGBDMO C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000047009917 1404674149 /nfs/dbraw/zinc/67/41/49/1404674149.db2.gz XVEWCQUXBVELQB-CQSZACIVSA-N 1 1 388.493 3.245 20 5 GGBDMO C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@H+]1CCC[C@H](C)C1 ZINC000047119424 1404712669 /nfs/dbraw/zinc/71/26/69/1404712669.db2.gz SQPDOVVKKYOJGP-IRXDYDNUSA-N 1 1 388.512 3.048 20 5 GGBDMO C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000047119423 1404712839 /nfs/dbraw/zinc/71/28/39/1404712839.db2.gz SQPDOVVKKYOJGP-SJORKVTESA-N 1 1 388.512 3.048 20 5 GGBDMO CCOC(=O)c1cc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000047213930 1404750224 /nfs/dbraw/zinc/75/02/24/1404750224.db2.gz PFDFFNVCOWZVDG-OAHLLOKOSA-N 1 1 391.468 3.013 20 5 GGBDMO Cc1ccccc1C[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000047406786 1404828034 /nfs/dbraw/zinc/82/80/34/1404828034.db2.gz WTYCDVZBZCNCSA-UHFFFAOYSA-N 1 1 393.447 3.271 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[N@@H+](Cc4ccccc4)CC3)n2)cc1 ZINC000047406721 1404828279 /nfs/dbraw/zinc/82/82/79/1404828279.db2.gz JAJUEUNVGFMSEB-UHFFFAOYSA-N 1 1 393.447 3.353 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000047587757 1404873704 /nfs/dbraw/zinc/87/37/04/1404873704.db2.gz KVUPAZKCJAPQIO-CALCHBBNSA-N 1 1 397.475 3.063 20 5 GGBDMO Cc1cccc(C[NH+]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000047609944 1404879161 /nfs/dbraw/zinc/87/91/61/1404879161.db2.gz GSJFVGPPFOVIEY-UHFFFAOYSA-N 1 1 383.448 3.017 20 5 GGBDMO C[C@H]1CCC[N@@H+](Cc2csc(=NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[nH]2)C1 ZINC000048315801 1405141519 /nfs/dbraw/zinc/14/15/19/1405141519.db2.gz CPJQEXIYXKUENQ-LBPRGKRZSA-N 1 1 399.476 3.439 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000048361275 1405163555 /nfs/dbraw/zinc/16/35/55/1405163555.db2.gz QEFBCVXTUNTDRB-IAGOWNOFSA-N 1 1 397.475 3.063 20 5 GGBDMO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000048361072 1405163838 /nfs/dbraw/zinc/16/38/38/1405163838.db2.gz UQCNMYBGMQDZIW-IRXDYDNUSA-N 1 1 397.475 3.442 20 5 GGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050136787 1405497827 /nfs/dbraw/zinc/49/78/27/1405497827.db2.gz TZXKALQJVCNNDS-INIZCTEOSA-N 1 1 388.493 3.368 20 5 GGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050613128 1405613584 /nfs/dbraw/zinc/61/35/84/1405613584.db2.gz QGLLFQCZDYHKKR-LBPRGKRZSA-N 1 1 385.449 3.289 20 5 GGBDMO O=C1C[C@@H]([NH+]2CCC(c3ccccc3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000050784432 1405652899 /nfs/dbraw/zinc/65/28/99/1405652899.db2.gz PKFRTHILHIKRJE-LJQANCHMSA-N 1 1 379.416 3.106 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000051340275 1405790970 /nfs/dbraw/zinc/79/09/70/1405790970.db2.gz OZGAVKQBFIULPT-HNNXBMFYSA-N 1 1 386.433 3.344 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000051340271 1405790997 /nfs/dbraw/zinc/79/09/97/1405790997.db2.gz YJCGPVRWIJYNKO-HNNXBMFYSA-N 1 1 386.433 3.344 20 5 GGBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052154262 1405955574 /nfs/dbraw/zinc/95/55/74/1405955574.db2.gz JOTGQLODZLRBGZ-CQSZACIVSA-N 1 1 394.435 3.098 20 5 GGBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000052191265 1405980725 /nfs/dbraw/zinc/98/07/25/1405980725.db2.gz LBLZZISPDVVIKD-UHFFFAOYSA-N 1 1 396.403 3.331 20 5 GGBDMO C[NH+]1CCN(C(=O)c2ccc(CNc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 ZINC000052241591 1405998710 /nfs/dbraw/zinc/99/87/10/1405998710.db2.gz ZLLHISYQNOUSSR-UHFFFAOYSA-N 1 1 388.855 3.248 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000052243840 1406000669 /nfs/dbraw/zinc/00/06/69/1406000669.db2.gz CPTNPGAXOZVECM-UHFFFAOYSA-N 1 1 391.493 3.451 20 5 GGBDMO O=C(C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052866248 1406206844 /nfs/dbraw/zinc/20/68/44/1406206844.db2.gz DXFJIDIDUSACJR-FQEVSTJZSA-N 1 1 395.459 3.165 20 5 GGBDMO O=C(C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052866248 1406206858 /nfs/dbraw/zinc/20/68/58/1406206858.db2.gz DXFJIDIDUSACJR-FQEVSTJZSA-N 1 1 395.459 3.165 20 5 GGBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc(Cl)c1 ZINC000052906559 1406223114 /nfs/dbraw/zinc/22/31/14/1406223114.db2.gz SBRYRSYGIRWXOO-UHFFFAOYSA-N 1 1 391.811 3.438 20 5 GGBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1cccc(Cl)c1 ZINC000052906559 1406223135 /nfs/dbraw/zinc/22/31/35/1406223135.db2.gz SBRYRSYGIRWXOO-UHFFFAOYSA-N 1 1 391.811 3.438 20 5 GGBDMO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@H+]1CCc2ccccc2C1 ZINC000056849123 1407455091 /nfs/dbraw/zinc/45/50/91/1407455091.db2.gz HSBSSLCBLRCUFV-AWEZNQCLSA-N 1 1 378.432 3.253 20 5 GGBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000057554144 1407647669 /nfs/dbraw/zinc/64/76/69/1407647669.db2.gz OOFAGCMDHMUDNQ-CQSZACIVSA-N 1 1 397.431 3.362 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057702344 1407691958 /nfs/dbraw/zinc/69/19/58/1407691958.db2.gz WFYCZIZPABDCRM-GJZGRUSLSA-N 1 1 397.479 3.375 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000057704792 1407693598 /nfs/dbraw/zinc/69/35/98/1407693598.db2.gz DBJRVIZLRMOSFC-HNNXBMFYSA-N 1 1 395.506 3.080 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000058176211 1407793352 /nfs/dbraw/zinc/79/33/52/1407793352.db2.gz QRXXGTXEBWCSKE-OAHLLOKOSA-N 1 1 395.506 3.080 20 5 GGBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000059951284 1407931474 /nfs/dbraw/zinc/93/14/74/1407931474.db2.gz UISGIYLQYWLQFM-SFHVURJKSA-N 1 1 382.464 3.035 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000060369954 1407963515 /nfs/dbraw/zinc/96/35/15/1407963515.db2.gz UASXOMFYPYSXNB-INIZCTEOSA-N 1 1 384.436 3.118 20 5 GGBDMO CCOc1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000060395041 1407970597 /nfs/dbraw/zinc/97/05/97/1407970597.db2.gz ZTILLYSDCDWICA-UHFFFAOYSA-N 1 1 393.484 3.195 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[N@H+](C)Cc2ccccc2)cc1C ZINC000060497941 1407990960 /nfs/dbraw/zinc/99/09/60/1407990960.db2.gz QEJBFEPCKJRTCE-UHFFFAOYSA-N 1 1 391.493 3.012 20 5 GGBDMO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000061019875 1408066443 /nfs/dbraw/zinc/06/64/43/1408066443.db2.gz IJOVIDHXDNPKMI-OAQYLSRUSA-N 1 1 399.491 3.082 20 5 GGBDMO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285343 1408100877 /nfs/dbraw/zinc/10/08/77/1408100877.db2.gz NOQVPKQNGFGZTO-UHFFFAOYSA-N 1 1 387.461 3.161 20 5 GGBDMO CCOC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000061309815 1408105812 /nfs/dbraw/zinc/10/58/12/1408105812.db2.gz JMRDHEUKGWDSGC-UHFFFAOYSA-N 1 1 389.477 3.004 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000176406252 1428305649 /nfs/dbraw/zinc/30/56/49/1428305649.db2.gz QKNGRASDKOUQFH-CQSZACIVSA-N 1 1 375.391 3.310 20 5 GGBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)CCO1 ZINC000063248334 1408323089 /nfs/dbraw/zinc/32/30/89/1408323089.db2.gz TYKRNASUSMBQDB-AWEZNQCLSA-N 1 1 386.408 3.336 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)CCO1 ZINC000063248334 1408323096 /nfs/dbraw/zinc/32/30/96/1408323096.db2.gz TYKRNASUSMBQDB-AWEZNQCLSA-N 1 1 386.408 3.336 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000063482471 1408361410 /nfs/dbraw/zinc/36/14/10/1408361410.db2.gz WVIHVFNOARDABY-MRXNPFEDSA-N 1 1 385.420 3.004 20 5 GGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000063582496 1408374289 /nfs/dbraw/zinc/37/42/89/1408374289.db2.gz ADWGDROMZAFURL-FCEWJHQRSA-N 1 1 397.479 3.258 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000063684960 1408391614 /nfs/dbraw/zinc/39/16/14/1408391614.db2.gz FUIBNGNSFGZSKF-UHFFFAOYSA-N 1 1 397.475 3.237 20 5 GGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000063695174 1408392995 /nfs/dbraw/zinc/39/29/95/1408392995.db2.gz KSSYETCPZKKYNR-QGZVFWFLSA-N 1 1 388.512 3.435 20 5 GGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000063726891 1408397997 /nfs/dbraw/zinc/39/79/97/1408397997.db2.gz IDHGOSUTZKRACD-UHFFFAOYSA-N 1 1 388.512 3.144 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000063758188 1408402361 /nfs/dbraw/zinc/40/23/61/1408402361.db2.gz WCJXJJWMLZIPSH-ZDUSSCGKSA-N 1 1 378.429 3.196 20 5 GGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000063778451 1408408283 /nfs/dbraw/zinc/40/82/83/1408408283.db2.gz PQHCKUHZFYQDIJ-UHFFFAOYSA-N 1 1 385.468 3.117 20 5 GGBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000064113337 1408485418 /nfs/dbraw/zinc/48/54/18/1408485418.db2.gz ICGCITGDXGUMTG-MRXNPFEDSA-N 1 1 399.495 3.483 20 5 GGBDMO Nc1c(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000064310833 1408532560 /nfs/dbraw/zinc/53/25/60/1408532560.db2.gz HGFCRFANSDPUQB-UHFFFAOYSA-N 1 1 378.448 3.044 20 5 GGBDMO COCc1ccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350791 1408538583 /nfs/dbraw/zinc/53/85/83/1408538583.db2.gz PJWNAWRXPXOPRU-UHFFFAOYSA-N 1 1 385.464 3.268 20 5 GGBDMO COCc1ccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350791 1408538588 /nfs/dbraw/zinc/53/85/88/1408538588.db2.gz PJWNAWRXPXOPRU-UHFFFAOYSA-N 1 1 385.464 3.268 20 5 GGBDMO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000064420567 1408551232 /nfs/dbraw/zinc/55/12/32/1408551232.db2.gz NCDNHASWEMEKIO-MJBXVCDLSA-N 1 1 383.876 3.395 20 5 GGBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064521032 1408572735 /nfs/dbraw/zinc/57/27/35/1408572735.db2.gz DVACMOWYAQFTGZ-HNNXBMFYSA-N 1 1 388.493 3.097 20 5 GGBDMO Nc1c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc(F)cc1[N+](=O)[O-] ZINC000064521237 1408573391 /nfs/dbraw/zinc/57/33/91/1408573391.db2.gz BIMMGBAHVGRIAH-GFCCVEGCSA-N 1 1 392.456 3.020 20 5 GGBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064643822 1408590354 /nfs/dbraw/zinc/59/03/54/1408590354.db2.gz XAJQHRJQMWICFT-HNNXBMFYSA-N 1 1 388.493 3.368 20 5 GGBDMO COCCCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000065164922 1408650588 /nfs/dbraw/zinc/65/05/88/1408650588.db2.gz QJLRSHUFSMJSJE-UHFFFAOYSA-N 1 1 397.475 3.413 20 5 GGBDMO CSc1ccccc1NC(=O)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208707 1408652832 /nfs/dbraw/zinc/65/28/32/1408652832.db2.gz GDBDUOUWHQZJQW-UHFFFAOYSA-N 1 1 375.450 3.266 20 5 GGBDMO CSc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208707 1408652837 /nfs/dbraw/zinc/65/28/37/1408652837.db2.gz GDBDUOUWHQZJQW-UHFFFAOYSA-N 1 1 375.450 3.266 20 5 GGBDMO O=C(CC1CCCC1)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065223202 1408654574 /nfs/dbraw/zinc/65/45/74/1408654574.db2.gz JMTGBACHEMPQOM-UHFFFAOYSA-N 1 1 375.469 3.088 20 5 GGBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065533224 1408684902 /nfs/dbraw/zinc/68/49/02/1408684902.db2.gz YNSLJROITCWYRJ-AWEZNQCLSA-N 1 1 378.450 3.070 20 5 GGBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065533224 1408684905 /nfs/dbraw/zinc/68/49/05/1408684905.db2.gz YNSLJROITCWYRJ-AWEZNQCLSA-N 1 1 378.450 3.070 20 5 GGBDMO C[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](c2ccccc2)C1 ZINC000065719831 1408717747 /nfs/dbraw/zinc/71/77/47/1408717747.db2.gz KAZNXFDXJVXFLZ-HXUWFJFHSA-N 1 1 378.432 3.065 20 5 GGBDMO C[N@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](c2ccccc2)C1 ZINC000065719831 1408717750 /nfs/dbraw/zinc/71/77/50/1408717750.db2.gz KAZNXFDXJVXFLZ-HXUWFJFHSA-N 1 1 378.432 3.065 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000065881149 1408747414 /nfs/dbraw/zinc/74/74/14/1408747414.db2.gz OVUOYTJCJWCHJS-UHFFFAOYSA-N 1 1 380.448 3.318 20 5 GGBDMO COCC[N@@H+](CCCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000065958918 1408762439 /nfs/dbraw/zinc/76/24/39/1408762439.db2.gz MDQMLQQBJZFHAH-UHFFFAOYSA-N 1 1 397.475 3.065 20 5 GGBDMO COCC[N@@H+](CCCc1ccccc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000065958792 1408762757 /nfs/dbraw/zinc/76/27/57/1408762757.db2.gz BDIGDVUBFWGNTQ-UHFFFAOYSA-N 1 1 397.475 3.065 20 5 GGBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000065971360 1408764977 /nfs/dbraw/zinc/76/49/77/1408764977.db2.gz IWDINPKMABYDGQ-UHFFFAOYSA-N 1 1 383.514 3.042 20 5 GGBDMO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000176517794 1428347680 /nfs/dbraw/zinc/34/76/80/1428347680.db2.gz BLEJCPSRHAHGOP-UHFFFAOYSA-N 1 1 395.887 3.261 20 5 GGBDMO CC(C)[NH+]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000066484140 1408845254 /nfs/dbraw/zinc/84/52/54/1408845254.db2.gz ZTKHRMILYGYEJA-INIZCTEOSA-N 1 1 397.479 3.329 20 5 GGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(C(=O)OC)cc([N+](=O)[O-])c3)c2C1 ZINC000066514920 1408851767 /nfs/dbraw/zinc/85/17/67/1408851767.db2.gz HUBWDQHVTFXAGY-UHFFFAOYSA-N 1 1 383.404 3.359 20 5 GGBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(C(=O)OC)cc([N+](=O)[O-])c3)c2C1 ZINC000066514920 1408851768 /nfs/dbraw/zinc/85/17/68/1408851768.db2.gz HUBWDQHVTFXAGY-UHFFFAOYSA-N 1 1 383.404 3.359 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066616134 1408868663 /nfs/dbraw/zinc/86/86/63/1408868663.db2.gz VIFDOYLHZRTRGA-UHFFFAOYSA-N 1 1 399.447 3.136 20 5 GGBDMO Cc1cc(N2CCC[C@H](OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)nc(C)[nH+]1 ZINC000066731464 1408895742 /nfs/dbraw/zinc/89/57/42/1408895742.db2.gz AINANDQCBCZOQV-AWEZNQCLSA-N 1 1 390.827 3.481 20 5 GGBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000066813040 1408919646 /nfs/dbraw/zinc/91/96/46/1408919646.db2.gz QZBGCNQVAFZWSK-UHFFFAOYSA-N 1 1 382.464 3.042 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000067072237 1409001441 /nfs/dbraw/zinc/00/14/41/1409001441.db2.gz CHZRBDRDWDACPL-HZPDHXFCSA-N 1 1 383.448 3.134 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000067144168 1409021186 /nfs/dbraw/zinc/02/11/86/1409021186.db2.gz PGIGCOJQZNELHX-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000067144168 1409021192 /nfs/dbraw/zinc/02/11/92/1409021192.db2.gz PGIGCOJQZNELHX-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000067162737 1409028576 /nfs/dbraw/zinc/02/85/76/1409028576.db2.gz FZXKDNVFFIMMNK-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000067165058 1409029521 /nfs/dbraw/zinc/02/95/21/1409029521.db2.gz BKXNHZHRQLEXAS-INIZCTEOSA-N 1 1 385.468 3.022 20 5 GGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000067165057 1409029788 /nfs/dbraw/zinc/02/97/88/1409029788.db2.gz BKXNHZHRQLEXAS-MRXNPFEDSA-N 1 1 385.468 3.022 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000176582010 1428370645 /nfs/dbraw/zinc/37/06/45/1428370645.db2.gz NOKLYEKFURAFFU-DOTOQJQBSA-N 1 1 383.448 3.386 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000067234260 1409050041 /nfs/dbraw/zinc/05/00/41/1409050041.db2.gz RISSXSUXLQCXEO-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000067234260 1409050048 /nfs/dbraw/zinc/05/00/48/1409050048.db2.gz RISSXSUXLQCXEO-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067361257 1409084564 /nfs/dbraw/zinc/08/45/64/1409084564.db2.gz LHFMVUJEPLOGJM-IBGZPJMESA-N 1 1 397.475 3.392 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000067361458 1409084815 /nfs/dbraw/zinc/08/48/15/1409084815.db2.gz AAUJYEXQNSFOEU-INIZCTEOSA-N 1 1 393.447 3.113 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000067361458 1409084825 /nfs/dbraw/zinc/08/48/25/1409084825.db2.gz AAUJYEXQNSFOEU-INIZCTEOSA-N 1 1 393.447 3.113 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000067361458 1409084831 /nfs/dbraw/zinc/08/48/31/1409084831.db2.gz AAUJYEXQNSFOEU-INIZCTEOSA-N 1 1 393.447 3.113 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067361692 1409085265 /nfs/dbraw/zinc/08/52/65/1409085265.db2.gz BWYZIUSVZKQDGI-KRWDZBQOSA-N 1 1 383.448 3.245 20 5 GGBDMO O=C1[C@H]([N@@H+]2CC=C(c3ccc(O)cc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067376097 1409091637 /nfs/dbraw/zinc/09/16/37/1409091637.db2.gz VHYDEBNHAJTNOK-HXUWFJFHSA-N 1 1 379.416 3.195 20 5 GGBDMO O=C1[C@H]([N@H+]2CC=C(c3ccc(O)cc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067376097 1409091642 /nfs/dbraw/zinc/09/16/42/1409091642.db2.gz VHYDEBNHAJTNOK-HXUWFJFHSA-N 1 1 379.416 3.195 20 5 GGBDMO COc1ccc([C@@H]2CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)cc1 ZINC000067379019 1409093077 /nfs/dbraw/zinc/09/30/77/1409093077.db2.gz KJJHHYVHWIVHOL-OXQOHEQNSA-N 1 1 381.432 3.198 20 5 GGBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386808 1409096685 /nfs/dbraw/zinc/09/66/85/1409096685.db2.gz YNSLJROITCWYRJ-CQSZACIVSA-N 1 1 378.450 3.070 20 5 GGBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386808 1409096690 /nfs/dbraw/zinc/09/66/90/1409096690.db2.gz YNSLJROITCWYRJ-CQSZACIVSA-N 1 1 378.450 3.070 20 5 GGBDMO CC[C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000067547777 1409155321 /nfs/dbraw/zinc/15/53/21/1409155321.db2.gz GQMMRDLBUCMMIM-KRWDZBQOSA-N 1 1 383.448 3.170 20 5 GGBDMO Cc1ccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000067556339 1409160460 /nfs/dbraw/zinc/16/04/60/1409160460.db2.gz XVUBIBMKXONEPP-MRXNPFEDSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1ccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000067556339 1409160467 /nfs/dbraw/zinc/16/04/67/1409160467.db2.gz XVUBIBMKXONEPP-MRXNPFEDSA-N 1 1 398.463 3.446 20 5 GGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000067592509 1409178591 /nfs/dbraw/zinc/17/85/91/1409178591.db2.gz LSIBKDNOBYKOOB-OAHLLOKOSA-N 1 1 385.468 3.021 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1F ZINC000067701968 1409209409 /nfs/dbraw/zinc/20/94/09/1409209409.db2.gz WFVRNSIDKTUYIS-UHFFFAOYSA-N 1 1 394.366 3.034 20 5 GGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000176627807 1428384388 /nfs/dbraw/zinc/38/43/88/1428384388.db2.gz QWUMAPKIEBPRAN-KRWDZBQOSA-N 1 1 390.484 3.022 20 5 GGBDMO CC[C@H](CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000067809796 1409236383 /nfs/dbraw/zinc/23/63/83/1409236383.db2.gz YHTBZKHPKDFLRU-LJQANCHMSA-N 1 1 397.475 3.099 20 5 GGBDMO COc1ccc(CC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067818778 1409237711 /nfs/dbraw/zinc/23/77/11/1409237711.db2.gz VRXRYDLZEUVGSA-QAPCUYQASA-N 1 1 383.448 3.098 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3nc4sccn4c3[N+](=O)[O-])c2)CCO1 ZINC000067903833 1409253002 /nfs/dbraw/zinc/25/30/02/1409253002.db2.gz URZOLCIYMRCSQJ-CYBMUJFWSA-N 1 1 387.465 3.137 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3nc4sccn4c3[N+](=O)[O-])c2)CCO1 ZINC000067903833 1409253006 /nfs/dbraw/zinc/25/30/06/1409253006.db2.gz URZOLCIYMRCSQJ-CYBMUJFWSA-N 1 1 387.465 3.137 20 5 GGBDMO COc1ccc(CC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067910781 1409254218 /nfs/dbraw/zinc/25/42/18/1409254218.db2.gz SVNVKNKKFXCAQV-GASCZTMLSA-N 1 1 377.485 3.019 20 5 GGBDMO COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067914390 1409254541 /nfs/dbraw/zinc/25/45/41/1409254541.db2.gz CDFBAEWDZNLOPL-IBGZPJMESA-N 1 1 397.475 3.174 20 5 GGBDMO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067914394 1409254603 /nfs/dbraw/zinc/25/46/03/1409254603.db2.gz CDFBAEWDZNLOPL-LJQANCHMSA-N 1 1 397.475 3.174 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000067960995 1409264745 /nfs/dbraw/zinc/26/47/45/1409264745.db2.gz XLLUJEYEPYYWFO-HNNXBMFYSA-N 1 1 385.420 3.004 20 5 GGBDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067988456 1409270760 /nfs/dbraw/zinc/27/07/60/1409270760.db2.gz SSFQZGVIIQRTDP-UHFFFAOYSA-N 1 1 391.374 3.000 20 5 GGBDMO Cc1c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068084987 1409295600 /nfs/dbraw/zinc/29/56/00/1409295600.db2.gz FBOWZLXCXKXMQE-CYBMUJFWSA-N 1 1 378.429 3.196 20 5 GGBDMO COc1ccc(CSCC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068118604 1409307720 /nfs/dbraw/zinc/30/77/20/1409307720.db2.gz JUUZFYFDHMTFIZ-GJZGRUSLSA-N 1 1 395.525 3.073 20 5 GGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000068265594 1409345857 /nfs/dbraw/zinc/34/58/57/1409345857.db2.gz QABILFYMVYUOFV-RISCZKNCSA-N 1 1 381.816 3.028 20 5 GGBDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000068288156 1409354079 /nfs/dbraw/zinc/35/40/79/1409354079.db2.gz JFCWVQVPCFHYIG-ZDUSSCGKSA-N 1 1 388.493 3.449 20 5 GGBDMO Cc1c(NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000068555637 1409437823 /nfs/dbraw/zinc/43/78/23/1409437823.db2.gz AQFDSUQBPKWAGX-GASCZTMLSA-N 1 1 390.484 3.256 20 5 GGBDMO Cc1cc(Cl)c(S(=O)(=O)N(CC[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000176683346 1428404919 /nfs/dbraw/zinc/40/49/19/1428404919.db2.gz SGNFFUYUVZPYRG-UHFFFAOYSA-N 1 1 397.884 3.314 20 5 GGBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000068778506 1409490370 /nfs/dbraw/zinc/49/03/70/1409490370.db2.gz OGUQRZUVYIMDHH-UHFFFAOYSA-N 1 1 389.374 3.092 20 5 GGBDMO Cc1cc(C)n(CC[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000068784309 1409491948 /nfs/dbraw/zinc/49/19/48/1409491948.db2.gz MYJSFTXONHVFCI-UHFFFAOYSA-N 1 1 397.401 3.249 20 5 GGBDMO Cc1nn(Cc2ccc(C(=O)N3CCC[N@H+](C(C)C)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000068799309 1409494859 /nfs/dbraw/zinc/49/48/59/1409494859.db2.gz ITBXTYSOYQUAAY-UHFFFAOYSA-N 1 1 399.495 3.013 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000068966956 1409535288 /nfs/dbraw/zinc/53/52/88/1409535288.db2.gz LSBHXXZLMKPBGC-SFHVURJKSA-N 1 1 396.491 3.438 20 5 GGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000069044407 1409552124 /nfs/dbraw/zinc/55/21/24/1409552124.db2.gz KSSYETCPZKKYNR-KRWDZBQOSA-N 1 1 388.512 3.435 20 5 GGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000069369057 1409623703 /nfs/dbraw/zinc/62/37/03/1409623703.db2.gz AFHJATHYIIKLDR-DOTOQJQBSA-N 1 1 385.489 3.466 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000176719863 1428432575 /nfs/dbraw/zinc/43/25/75/1428432575.db2.gz PHTWEYAWJXDPPJ-FUHWJXTLSA-N 1 1 396.491 3.444 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000176719851 1428432588 /nfs/dbraw/zinc/43/25/88/1428432588.db2.gz PHTWEYAWJXDPPJ-SJLPKXTDSA-N 1 1 396.491 3.444 20 5 GGBDMO C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000071942913 1409832100 /nfs/dbraw/zinc/83/21/00/1409832100.db2.gz RIMZDRFGFUKEPI-RYUDHWBXSA-N 1 1 386.399 3.438 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000072809517 1409853328 /nfs/dbraw/zinc/85/33/28/1409853328.db2.gz PYGQNLQSRRXWHR-IRXDYDNUSA-N 1 1 375.469 3.087 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000072809514 1409853396 /nfs/dbraw/zinc/85/33/96/1409853396.db2.gz PYGQNLQSRRXWHR-SJORKVTESA-N 1 1 375.469 3.087 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000072809681 1409853520 /nfs/dbraw/zinc/85/35/20/1409853520.db2.gz GSMDAQJCZLVOCW-SJORKVTESA-N 1 1 375.469 3.087 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072811522 1409853842 /nfs/dbraw/zinc/85/38/42/1409853842.db2.gz PLPJMTGBHGSMQL-HOTGVXAUSA-N 1 1 375.469 3.330 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074319630 1409871555 /nfs/dbraw/zinc/87/15/55/1409871555.db2.gz NEYAYFZZNVXRFI-INIZCTEOSA-N 1 1 376.501 3.366 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074763932 1409876446 /nfs/dbraw/zinc/87/64/46/1409876446.db2.gz BRULQKLEZHKQET-UHFFFAOYSA-N 1 1 376.501 3.291 20 5 GGBDMO CCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321458 1409895358 /nfs/dbraw/zinc/89/53/58/1409895358.db2.gz BLFKDJPODZFOBQ-UHOSZYNNSA-N 1 1 375.469 3.083 20 5 GGBDMO CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321506 1409895449 /nfs/dbraw/zinc/89/54/49/1409895449.db2.gz VXKBVEUIHOYBHR-KYNGSXCRSA-N 1 1 375.469 3.367 20 5 GGBDMO CCCc1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000078775044 1409935825 /nfs/dbraw/zinc/93/58/25/1409935825.db2.gz BFEJABKVGYEJGE-HNNXBMFYSA-N 1 1 399.495 3.432 20 5 GGBDMO CCCc1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000078775047 1409935962 /nfs/dbraw/zinc/93/59/62/1409935962.db2.gz BFEJABKVGYEJGE-OAHLLOKOSA-N 1 1 399.495 3.432 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000085620000 1410042321 /nfs/dbraw/zinc/04/23/21/1410042321.db2.gz BLVROYLQIOPKNX-ZIAGYGMSSA-N 1 1 378.473 3.221 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000085620003 1410043208 /nfs/dbraw/zinc/04/32/08/1410043208.db2.gz BLVROYLQIOPKNX-KBPBESRZSA-N 1 1 378.473 3.221 20 5 GGBDMO Cn1cnnc1C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000091794796 1410081923 /nfs/dbraw/zinc/08/19/23/1410081923.db2.gz XXZOVYMKAUTHFS-UHFFFAOYSA-N 1 1 384.465 3.226 20 5 GGBDMO CCOc1ccc(C2=CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000091811309 1410083372 /nfs/dbraw/zinc/08/33/72/1410083372.db2.gz GMKQVUJHBLFTIC-UHFFFAOYSA-N 1 1 381.432 3.382 20 5 GGBDMO CCOc1ccc(C2=CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000091811309 1410083376 /nfs/dbraw/zinc/08/33/76/1410083376.db2.gz GMKQVUJHBLFTIC-UHFFFAOYSA-N 1 1 381.432 3.382 20 5 GGBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000092145679 1410111709 /nfs/dbraw/zinc/11/17/09/1410111709.db2.gz OGKPIFYLSSCSFU-UHFFFAOYSA-N 1 1 393.484 3.083 20 5 GGBDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092456425 1410159374 /nfs/dbraw/zinc/15/93/74/1410159374.db2.gz WCFPLFFVDXQYJI-AWEZNQCLSA-N 1 1 375.450 3.493 20 5 GGBDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092456425 1410159380 /nfs/dbraw/zinc/15/93/80/1410159380.db2.gz WCFPLFFVDXQYJI-AWEZNQCLSA-N 1 1 375.450 3.493 20 5 GGBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092710117 1410192549 /nfs/dbraw/zinc/19/25/49/1410192549.db2.gz NOUPVMQBOCWLJY-QGZVFWFLSA-N 1 1 399.495 3.124 20 5 GGBDMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092710548 1410194197 /nfs/dbraw/zinc/19/41/97/1410194197.db2.gz VXDOAVNTLVIVOC-ZDUSSCGKSA-N 1 1 385.411 3.325 20 5 GGBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092710548 1410194205 /nfs/dbraw/zinc/19/42/05/1410194205.db2.gz VXDOAVNTLVIVOC-ZDUSSCGKSA-N 1 1 385.411 3.325 20 5 GGBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092733770 1410196167 /nfs/dbraw/zinc/19/61/67/1410196167.db2.gz DYOSGYKZXFQRDZ-OAHLLOKOSA-N 1 1 388.493 3.457 20 5 GGBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092733770 1410196173 /nfs/dbraw/zinc/19/61/73/1410196173.db2.gz DYOSGYKZXFQRDZ-OAHLLOKOSA-N 1 1 388.493 3.457 20 5 GGBDMO NC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000092753935 1410197231 /nfs/dbraw/zinc/19/72/31/1410197231.db2.gz HPGVQEXQIKTDKS-UHFFFAOYSA-N 1 1 378.816 3.095 20 5 GGBDMO COCC[N@@H+](CCO)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000093005921 1410214541 /nfs/dbraw/zinc/21/45/41/1410214541.db2.gz GFZBGKYHNDJNNE-UHFFFAOYSA-N 1 1 380.828 3.481 20 5 GGBDMO COCC[N@@H+](CCO)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000093005496 1410214646 /nfs/dbraw/zinc/21/46/46/1410214646.db2.gz LZZHWJMBDQARIY-UHFFFAOYSA-N 1 1 380.828 3.481 20 5 GGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)o1 ZINC000093017531 1410217641 /nfs/dbraw/zinc/21/76/41/1410217641.db2.gz BZSIWJHXTOOYHU-KRWDZBQOSA-N 1 1 385.464 3.399 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093106449 1410222309 /nfs/dbraw/zinc/22/23/09/1410222309.db2.gz GGNLMDSTWHHYPE-GFCCVEGCSA-N 1 1 392.374 3.139 20 5 GGBDMO Cn1cc(C[N@@H+](CCCO)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093102029 1410222698 /nfs/dbraw/zinc/22/26/98/1410222698.db2.gz PDTNYSTVEPYNMR-UHFFFAOYSA-N 1 1 380.448 3.380 20 5 GGBDMO CCN1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)CC1 ZINC000093132956 1410224400 /nfs/dbraw/zinc/22/44/00/1410224400.db2.gz KGRXICZPMNOKNI-QGZVFWFLSA-N 1 1 384.480 3.067 20 5 GGBDMO CCN1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)CC1 ZINC000093132956 1410224409 /nfs/dbraw/zinc/22/44/09/1410224409.db2.gz KGRXICZPMNOKNI-QGZVFWFLSA-N 1 1 384.480 3.067 20 5 GGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](N4CCCC4=O)C3)o2)c([N+](=O)[O-])c1 ZINC000093278261 1410228150 /nfs/dbraw/zinc/22/81/50/1410228150.db2.gz VMCSYZUGSIKBIG-HNNXBMFYSA-N 1 1 399.447 3.450 20 5 GGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000093359004 1410237844 /nfs/dbraw/zinc/23/78/44/1410237844.db2.gz RVEGPJLRUXTZPU-UXBLZVDNSA-N 1 1 392.459 3.347 20 5 GGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000093359004 1410237852 /nfs/dbraw/zinc/23/78/52/1410237852.db2.gz RVEGPJLRUXTZPU-UXBLZVDNSA-N 1 1 392.459 3.347 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)nc1 ZINC000093534477 1410250831 /nfs/dbraw/zinc/25/08/31/1410250831.db2.gz HCZPMIMMLJESMK-INIZCTEOSA-N 1 1 382.399 3.205 20 5 GGBDMO Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534426 1410250936 /nfs/dbraw/zinc/25/09/36/1410250936.db2.gz CXXYDFSJCCVDLT-QGZVFWFLSA-N 1 1 378.436 3.375 20 5 GGBDMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534358 1410251075 /nfs/dbraw/zinc/25/10/75/1410251075.db2.gz IVMVXUHGYHTMAC-QGZVFWFLSA-N 1 1 392.463 3.479 20 5 GGBDMO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(OC(F)F)c1 ZINC000093534303 1410251167 /nfs/dbraw/zinc/25/11/67/1410251167.db2.gz GASAYNRCRHCWIZ-ZDUSSCGKSA-N 1 1 394.378 3.286 20 5 GGBDMO COc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(OC(F)F)c1 ZINC000093534303 1410251173 /nfs/dbraw/zinc/25/11/73/1410251173.db2.gz GASAYNRCRHCWIZ-ZDUSSCGKSA-N 1 1 394.378 3.286 20 5 GGBDMO COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534852 1410251913 /nfs/dbraw/zinc/25/19/13/1410251913.db2.gz BWQNFNQUMAYDFL-MRXNPFEDSA-N 1 1 394.435 3.075 20 5 GGBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1OC(C)C ZINC000093534620 1410251970 /nfs/dbraw/zinc/25/19/70/1410251970.db2.gz JVZZIUIRVMWPAV-INIZCTEOSA-N 1 1 386.452 3.472 20 5 GGBDMO COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534851 1410252009 /nfs/dbraw/zinc/25/20/09/1410252009.db2.gz BWQNFNQUMAYDFL-INIZCTEOSA-N 1 1 394.435 3.075 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)s2)cc1 ZINC000093664069 1410258374 /nfs/dbraw/zinc/25/83/74/1410258374.db2.gz UCTXCJYTTCQTFH-INIZCTEOSA-N 1 1 387.505 3.477 20 5 GGBDMO COC(=O)CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000093734700 1410261518 /nfs/dbraw/zinc/26/15/18/1410261518.db2.gz UQCCMCKCUWUAOI-UHFFFAOYSA-N 1 1 388.420 3.399 20 5 GGBDMO COc1cccc(OCC[NH+]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000093761886 1410264353 /nfs/dbraw/zinc/26/43/53/1410264353.db2.gz MMLFBRVHMGTRGZ-FNORWQNLSA-N 1 1 397.475 3.313 20 5 GGBDMO COC(=O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CCOCC1 ZINC000093763549 1410264629 /nfs/dbraw/zinc/26/46/29/1410264629.db2.gz ZZIGDRPDFXJWEP-UHFFFAOYSA-N 1 1 390.461 3.477 20 5 GGBDMO COC(=O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CCOCC1 ZINC000093763549 1410264636 /nfs/dbraw/zinc/26/46/36/1410264636.db2.gz ZZIGDRPDFXJWEP-UHFFFAOYSA-N 1 1 390.461 3.477 20 5 GGBDMO COC(=O)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CCOCC1 ZINC000093763644 1410264750 /nfs/dbraw/zinc/26/47/50/1410264750.db2.gz CDICDDOMFCCFAP-UHFFFAOYSA-N 1 1 390.461 3.477 20 5 GGBDMO COC(=O)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CCOCC1 ZINC000093763644 1410264758 /nfs/dbraw/zinc/26/47/58/1410264758.db2.gz CDICDDOMFCCFAP-UHFFFAOYSA-N 1 1 390.461 3.477 20 5 GGBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000093899390 1410280216 /nfs/dbraw/zinc/28/02/16/1410280216.db2.gz FLZVZBATDJMJFI-CYBMUJFWSA-N 1 1 375.400 3.340 20 5 GGBDMO CCc1nn(C)c(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000094139930 1410308082 /nfs/dbraw/zinc/30/80/82/1410308082.db2.gz YZKDOCQHQXYHOX-UHFFFAOYSA-N 1 1 379.411 3.245 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000097057458 1410349336 /nfs/dbraw/zinc/34/93/36/1410349336.db2.gz XOBUWJDSLMMAIY-NQIIRXRSSA-N 1 1 379.416 3.109 20 5 GGBDMO Cc1nn(C)c(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000097473508 1410370409 /nfs/dbraw/zinc/37/04/09/1410370409.db2.gz QISWOUQOBYEEJQ-UHFFFAOYSA-N 1 1 397.401 3.368 20 5 GGBDMO C[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1Cc1ccccc1 ZINC000176815942 1428479267 /nfs/dbraw/zinc/47/92/67/1428479267.db2.gz PTPOJFKZBLZSEN-DOTOQJQBSA-N 1 1 382.464 3.302 20 5 GGBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000098099258 1410415380 /nfs/dbraw/zinc/41/53/80/1410415380.db2.gz TYOWUSGBBVVUTI-UHFFFAOYSA-N 1 1 378.392 3.311 20 5 GGBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000102648437 1410684946 /nfs/dbraw/zinc/68/49/46/1410684946.db2.gz IFIMEUGTPXOSJU-OKILXGFUSA-N 1 1 395.887 3.210 20 5 GGBDMO C[N@@H+](CCOc1cccc(CNc2ccc([N+](=O)[O-])cn2)c1)C1CCOCC1 ZINC000102766782 1410737626 /nfs/dbraw/zinc/73/76/26/1410737626.db2.gz ZVPDTECPVVDEEU-UHFFFAOYSA-N 1 1 386.452 3.092 20 5 GGBDMO C[N@@H+](CCOc1cccc(CNc2ncccc2[N+](=O)[O-])c1)C1CCOCC1 ZINC000102766784 1410738403 /nfs/dbraw/zinc/73/84/03/1410738403.db2.gz PRBJWNFZRYYPDT-UHFFFAOYSA-N 1 1 386.452 3.092 20 5 GGBDMO COCCC[N@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2C1 ZINC000102779361 1410746182 /nfs/dbraw/zinc/74/61/82/1410746182.db2.gz QTBQNCBFYYJLMJ-HNNXBMFYSA-N 1 1 398.463 3.386 20 5 GGBDMO COCCC[N@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c2C1 ZINC000102779365 1410747798 /nfs/dbraw/zinc/74/77/98/1410747798.db2.gz QTBQNCBFYYJLMJ-OAHLLOKOSA-N 1 1 398.463 3.386 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000176885014 1428512070 /nfs/dbraw/zinc/51/20/70/1428512070.db2.gz HIHOHYDGGRIQCM-APWZRJJASA-N 1 1 382.464 3.399 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000102845541 1410798500 /nfs/dbraw/zinc/79/85/00/1410798500.db2.gz LDIPQIGPBUQUSB-INIZCTEOSA-N 1 1 384.436 3.118 20 5 GGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000102921618 1410808874 /nfs/dbraw/zinc/80/88/74/1410808874.db2.gz FXICSMFBAZAXPB-UHFFFAOYSA-N 1 1 381.436 3.126 20 5 GGBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000102921618 1410808876 /nfs/dbraw/zinc/80/88/76/1410808876.db2.gz FXICSMFBAZAXPB-UHFFFAOYSA-N 1 1 381.436 3.126 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1SC ZINC000103076340 1410825776 /nfs/dbraw/zinc/82/57/76/1410825776.db2.gz ZGLRRZTUXZSUKT-ZDUSSCGKSA-N 1 1 381.498 3.176 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1SC ZINC000103185937 1410835561 /nfs/dbraw/zinc/83/55/61/1410835561.db2.gz LCXIFIIKLRGMQU-CYBMUJFWSA-N 1 1 381.498 3.320 20 5 GGBDMO C[N@@H+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc2C1 ZINC000103411902 1410854085 /nfs/dbraw/zinc/85/40/85/1410854085.db2.gz XTGZGFIWGZMNKE-UHFFFAOYSA-N 1 1 380.448 3.287 20 5 GGBDMO C[N@H+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc2C1 ZINC000103411902 1410854089 /nfs/dbraw/zinc/85/40/89/1410854089.db2.gz XTGZGFIWGZMNKE-UHFFFAOYSA-N 1 1 380.448 3.287 20 5 GGBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458308 1410859611 /nfs/dbraw/zinc/85/96/11/1410859611.db2.gz VJESAJUHNYCPLC-INIZCTEOSA-N 1 1 385.468 3.044 20 5 GGBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458308 1410859612 /nfs/dbraw/zinc/85/96/12/1410859612.db2.gz VJESAJUHNYCPLC-INIZCTEOSA-N 1 1 385.468 3.044 20 5 GGBDMO O=C(CC1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1)N1CCCC1 ZINC000103457822 1410859652 /nfs/dbraw/zinc/85/96/52/1410859652.db2.gz SEXBEMZHAZWXRA-UHFFFAOYSA-N 1 1 397.479 3.140 20 5 GGBDMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103468982 1410860755 /nfs/dbraw/zinc/86/07/55/1410860755.db2.gz LETYSTPPKYHYDU-UHFFFAOYSA-N 1 1 389.402 3.401 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000104673653 1410925408 /nfs/dbraw/zinc/92/54/08/1410925408.db2.gz RQSKBTSDBJDQHU-OAHLLOKOSA-N 1 1 385.468 3.299 20 5 GGBDMO Cc1nc(C[C@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)no1 ZINC000104681815 1410927267 /nfs/dbraw/zinc/92/72/67/1410927267.db2.gz LUEVYBUMCNZWNE-OAHLLOKOSA-N 1 1 397.435 3.438 20 5 GGBDMO Cc1noc([C@@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000104675858 1410927743 /nfs/dbraw/zinc/92/77/43/1410927743.db2.gz MYKDDPXYFWZMRL-OAHLLOKOSA-N 1 1 383.408 3.363 20 5 GGBDMO CCn1cnnc1[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104681907 1410928117 /nfs/dbraw/zinc/92/81/17/1410928117.db2.gz MHWGHEKXCSKMSI-INIZCTEOSA-N 1 1 396.451 3.283 20 5 GGBDMO CCOC(=O)N(C)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000104685181 1410929352 /nfs/dbraw/zinc/92/93/52/1410929352.db2.gz HTYBTWIUXFKJDT-UHFFFAOYSA-N 1 1 379.457 3.435 20 5 GGBDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000105407462 1411063522 /nfs/dbraw/zinc/06/35/22/1411063522.db2.gz GVNATDIDIYJBHP-DGCLKSJQSA-N 1 1 378.454 3.436 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000106058310 1411160646 /nfs/dbraw/zinc/16/06/46/1411160646.db2.gz MGIAGDFGKWJGJR-KRWDZBQOSA-N 1 1 377.828 3.046 20 5 GGBDMO O=c1cc(C[N@H+]2CCCN(c3cccnn3)CC2)c2c(ccc3ccccc32)o1 ZINC000106071368 1411164572 /nfs/dbraw/zinc/16/45/72/1411164572.db2.gz CVCAEOOIROFEEZ-UHFFFAOYSA-N 1 1 386.455 3.449 20 5 GGBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000106152455 1411175206 /nfs/dbraw/zinc/17/52/06/1411175206.db2.gz IBKIVPQPSCNRCQ-GOSISDBHSA-N 1 1 382.464 3.178 20 5 GGBDMO CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000106272913 1411188173 /nfs/dbraw/zinc/18/81/73/1411188173.db2.gz IXPOJEGSMZVWPF-SFHVURJKSA-N 1 1 383.448 3.388 20 5 GGBDMO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000106486482 1411225716 /nfs/dbraw/zinc/22/57/16/1411225716.db2.gz GAALADZZXYXEQR-SFHVURJKSA-N 1 1 397.523 3.088 20 5 GGBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)C1 ZINC000177009353 1428551909 /nfs/dbraw/zinc/55/19/09/1428551909.db2.gz YSUVGQUMGYHCGN-CQSZACIVSA-N 1 1 386.452 3.207 20 5 GGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106790153 1411301579 /nfs/dbraw/zinc/30/15/79/1411301579.db2.gz QVJJQDHBYIJDCN-GXTWGEPZSA-N 1 1 381.860 3.149 20 5 GGBDMO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000107716309 1411401001 /nfs/dbraw/zinc/40/10/01/1411401001.db2.gz PEZQTWHNZQWOEU-UHFFFAOYSA-N 1 1 376.478 3.456 20 5 GGBDMO C[C@@H]1CCC[N@H+](CCNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000108087107 1411437692 /nfs/dbraw/zinc/43/76/92/1411437692.db2.gz BWCJVHXWUXNCGL-LLVKDONJSA-N 1 1 395.403 3.032 20 5 GGBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000108087107 1411437694 /nfs/dbraw/zinc/43/76/94/1411437694.db2.gz BWCJVHXWUXNCGL-LLVKDONJSA-N 1 1 395.403 3.032 20 5 GGBDMO CCOC(=O)c1cc(NCc2cccc(C[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000177049667 1428568389 /nfs/dbraw/zinc/56/83/89/1428568389.db2.gz AFMWHJJSEWUHFL-UHFFFAOYSA-N 1 1 399.447 3.216 20 5 GGBDMO CC1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2[N+](=O)[O-])CC1 ZINC000108305386 1411469438 /nfs/dbraw/zinc/46/94/38/1411469438.db2.gz MLQPKEPOJIDJDC-SFHVURJKSA-N 1 1 386.496 3.045 20 5 GGBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000108337278 1411476498 /nfs/dbraw/zinc/47/64/98/1411476498.db2.gz PWYNZIIRZYTUNV-OAHLLOKOSA-N 1 1 399.447 3.467 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108349981 1411478818 /nfs/dbraw/zinc/47/88/18/1411478818.db2.gz SYKQFODEYBMDAM-GOSISDBHSA-N 1 1 382.464 3.213 20 5 GGBDMO CCCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000108396204 1411490623 /nfs/dbraw/zinc/49/06/23/1411490623.db2.gz ZXYHICYVHZSSGD-MRXNPFEDSA-N 1 1 379.457 3.213 20 5 GGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000177062762 1428574736 /nfs/dbraw/zinc/57/47/36/1428574736.db2.gz GQSMRSQQPPDRIJ-UHFFFAOYSA-N 1 1 377.441 3.318 20 5 GGBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000108577236 1411543961 /nfs/dbraw/zinc/54/39/61/1411543961.db2.gz LVCWCFYHUZSWIT-UHFFFAOYSA-N 1 1 375.469 3.088 20 5 GGBDMO C[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1 ZINC000177075125 1428578478 /nfs/dbraw/zinc/57/84/78/1428578478.db2.gz HDTHBYZGSXFXIF-UHFFFAOYSA-N 1 1 379.819 3.178 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000109122489 1411688323 /nfs/dbraw/zinc/68/83/23/1411688323.db2.gz AGZWPIYWXQASKM-INIZCTEOSA-N 1 1 385.468 3.165 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000109124369 1411689570 /nfs/dbraw/zinc/68/95/70/1411689570.db2.gz VUXFYVJJORBDQB-CALCHBBNSA-N 1 1 376.501 3.271 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000109312810 1411738547 /nfs/dbraw/zinc/73/85/47/1411738547.db2.gz PVZZPXAOMVYNLY-KRWDZBQOSA-N 1 1 386.427 3.256 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000109312807 1411738705 /nfs/dbraw/zinc/73/87/05/1411738705.db2.gz PVZZPXAOMVYNLY-QGZVFWFLSA-N 1 1 386.427 3.256 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000109312740 1411738777 /nfs/dbraw/zinc/73/87/77/1411738777.db2.gz FVELXNLEYLATTJ-IBGZPJMESA-N 1 1 382.464 3.425 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000109312998 1411739086 /nfs/dbraw/zinc/73/90/86/1411739086.db2.gz HAAMZPSYGNNCQR-GOSISDBHSA-N 1 1 398.463 3.125 20 5 GGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)nc1 ZINC000177119761 1428593991 /nfs/dbraw/zinc/59/39/91/1428593991.db2.gz MZIZBUZTVJRRAY-AWEZNQCLSA-N 1 1 395.419 3.290 20 5 GGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)nc1 ZINC000177119761 1428593997 /nfs/dbraw/zinc/59/39/97/1428593997.db2.gz MZIZBUZTVJRRAY-AWEZNQCLSA-N 1 1 395.419 3.290 20 5 GGBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000109692712 1411804453 /nfs/dbraw/zinc/80/44/53/1411804453.db2.gz SDWJHIBBFHSYHY-OAHLLOKOSA-N 1 1 377.489 3.045 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c2c(c1)COCO2 ZINC000177137018 1428598983 /nfs/dbraw/zinc/59/89/83/1428598983.db2.gz RGPZUCLNGYSPGF-LJQANCHMSA-N 1 1 384.432 3.295 20 5 GGBDMO COC(=O)c1cc(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc([N+](=O)[O-])c1 ZINC000110019681 1411825841 /nfs/dbraw/zinc/82/58/41/1411825841.db2.gz ROMYNIHFXFYQOX-UHFFFAOYSA-N 1 1 399.447 3.152 20 5 GGBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110171538 1411835577 /nfs/dbraw/zinc/83/55/77/1411835577.db2.gz FRZIVXJQVGHFTJ-UHFFFAOYSA-N 1 1 381.860 3.013 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000177138413 1428600042 /nfs/dbraw/zinc/60/00/42/1428600042.db2.gz WEYCEVKCXXMIHQ-IBGZPJMESA-N 1 1 383.448 3.175 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000177138413 1428600046 /nfs/dbraw/zinc/60/00/46/1428600046.db2.gz WEYCEVKCXXMIHQ-IBGZPJMESA-N 1 1 383.448 3.175 20 5 GGBDMO C[C@@H](c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000110721792 1411865935 /nfs/dbraw/zinc/86/59/35/1411865935.db2.gz HQSUBIBHQKGOBL-HNNXBMFYSA-N 1 1 385.420 3.006 20 5 GGBDMO CC[N@H+]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000110815355 1411871719 /nfs/dbraw/zinc/87/17/19/1411871719.db2.gz HKPAWPVZGZQRCC-IRXDYDNUSA-N 1 1 388.512 3.245 20 5 GGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000110995788 1411881330 /nfs/dbraw/zinc/88/13/30/1411881330.db2.gz XQIPEBQDWKDXCO-IBGZPJMESA-N 1 1 399.495 3.061 20 5 GGBDMO CCc1nc(C[NH+]2CCC(CNC(=O)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000111044723 1411884140 /nfs/dbraw/zinc/88/41/40/1411884140.db2.gz WODNYEWGQCBTEC-UHFFFAOYSA-N 1 1 388.493 3.256 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000111154261 1411891922 /nfs/dbraw/zinc/89/19/22/1411891922.db2.gz ICKVLKCPNDQDSC-BQYQJAHWSA-N 1 1 398.463 3.241 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000111154258 1411892081 /nfs/dbraw/zinc/89/20/81/1411892081.db2.gz XEBCSHHLRKGMIJ-VMPITWQZSA-N 1 1 398.463 3.241 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)o2)c1 ZINC000111232035 1411896752 /nfs/dbraw/zinc/89/67/52/1411896752.db2.gz XCQZHQLCXKRQDV-BBRMVZONSA-N 1 1 385.342 3.180 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000111307956 1411906216 /nfs/dbraw/zinc/90/62/16/1411906216.db2.gz LCERUYYOYFZQSO-MRXNPFEDSA-N 1 1 393.447 3.351 20 5 GGBDMO COc1cccc(NC2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000111305081 1411906753 /nfs/dbraw/zinc/90/67/53/1411906753.db2.gz FMGDRSIOMRYKIJ-UHFFFAOYSA-N 1 1 398.463 3.143 20 5 GGBDMO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CCC2 ZINC000111313201 1411912143 /nfs/dbraw/zinc/91/21/43/1411912143.db2.gz DKSKRKONWSKDFJ-KRWDZBQOSA-N 1 1 386.477 3.258 20 5 GGBDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CCC2 ZINC000111313201 1411912173 /nfs/dbraw/zinc/91/21/73/1411912173.db2.gz DKSKRKONWSKDFJ-KRWDZBQOSA-N 1 1 386.477 3.258 20 5 GGBDMO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CCC2 ZINC000111313199 1411914699 /nfs/dbraw/zinc/91/46/99/1411914699.db2.gz DKSKRKONWSKDFJ-QGZVFWFLSA-N 1 1 386.477 3.258 20 5 GGBDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CCC2 ZINC000111313199 1411914731 /nfs/dbraw/zinc/91/47/31/1411914731.db2.gz DKSKRKONWSKDFJ-QGZVFWFLSA-N 1 1 386.477 3.258 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000111403386 1411943667 /nfs/dbraw/zinc/94/36/67/1411943667.db2.gz CXZIMIVGVIOCMG-UHFFFAOYSA-N 1 1 377.485 3.118 20 5 GGBDMO CCOc1ccc(NC(=O)C[NH2+]C2(c3nccs3)CCCC2)c([N+](=O)[O-])c1 ZINC000177167315 1428609262 /nfs/dbraw/zinc/60/92/62/1428609262.db2.gz RWSKWBPJAZKMPB-UHFFFAOYSA-N 1 1 390.465 3.448 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000111431299 1411951476 /nfs/dbraw/zinc/95/14/76/1411951476.db2.gz VFUZFOSTMKNULY-UHFFFAOYSA-N 1 1 387.440 3.233 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])c1 ZINC000112076225 1412073951 /nfs/dbraw/zinc/07/39/51/1412073951.db2.gz SSSAACOIBVGOPT-UHFFFAOYSA-N 1 1 388.424 3.368 20 5 GGBDMO CC(C)(C)c1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000112198141 1412092117 /nfs/dbraw/zinc/09/21/17/1412092117.db2.gz YNXONHSDUQSWTQ-MRXNPFEDSA-N 1 1 389.496 3.077 20 5 GGBDMO CC(C)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000112656147 1412187649 /nfs/dbraw/zinc/18/76/49/1412187649.db2.gz SZRHOTKDNPLBMK-LJQANCHMSA-N 1 1 389.427 3.364 20 5 GGBDMO O=C(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(Cl)cc1 ZINC000112656237 1412187789 /nfs/dbraw/zinc/18/77/89/1412187789.db2.gz JHJPZXVMZISNIW-OAHLLOKOSA-N 1 1 389.843 3.158 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)CC(F)(F)F ZINC000177208521 1428632735 /nfs/dbraw/zinc/63/27/35/1428632735.db2.gz DGASGCDDTNQREV-GFCCVEGCSA-N 1 1 386.374 3.442 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000112918676 1412239934 /nfs/dbraw/zinc/23/99/34/1412239934.db2.gz WGVIXZKNWOWDSY-UHFFFAOYSA-N 1 1 399.495 3.365 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC[C@H]3COc3ccccc3)n2)cc1 ZINC000112959716 1412246598 /nfs/dbraw/zinc/24/65/98/1412246598.db2.gz UQQAQXKFGNEICH-SFHVURJKSA-N 1 1 379.420 3.354 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000112967284 1412247929 /nfs/dbraw/zinc/24/79/29/1412247929.db2.gz DUITYJDCHGRWMG-OAHLLOKOSA-N 1 1 380.448 3.190 20 5 GGBDMO O=C(C[N@H+](Cc1cccc(O)c1)CC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000112978964 1412250069 /nfs/dbraw/zinc/25/00/69/1412250069.db2.gz XMQVIJUZPKWKSY-UHFFFAOYSA-N 1 1 381.432 3.102 20 5 GGBDMO O=C(C[N@@H+](Cc1cccc(O)c1)CC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000112978964 1412250077 /nfs/dbraw/zinc/25/00/77/1412250077.db2.gz XMQVIJUZPKWKSY-UHFFFAOYSA-N 1 1 381.432 3.102 20 5 GGBDMO COc1ccc([C@@H](CO)[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000112996734 1412252587 /nfs/dbraw/zinc/25/25/87/1412252587.db2.gz JHYGYYXLRVNBOO-LJQANCHMSA-N 1 1 397.431 3.466 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000113899667 1412347131 /nfs/dbraw/zinc/34/71/31/1412347131.db2.gz AVWKEWIMWUMHSG-SJORKVTESA-N 1 1 388.512 3.387 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000113901660 1412348569 /nfs/dbraw/zinc/34/85/69/1412348569.db2.gz QCAUOWXASGANPT-CABCVRRESA-N 1 1 385.468 3.198 20 5 GGBDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000113901660 1412348574 /nfs/dbraw/zinc/34/85/74/1412348574.db2.gz QCAUOWXASGANPT-CABCVRRESA-N 1 1 385.468 3.198 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000113901660 1412348579 /nfs/dbraw/zinc/34/85/79/1412348579.db2.gz QCAUOWXASGANPT-CABCVRRESA-N 1 1 385.468 3.198 20 5 GGBDMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000113945209 1412357210 /nfs/dbraw/zinc/35/72/10/1412357210.db2.gz VPGBXAJKINVUGO-DLBZAZTESA-N 1 1 395.525 3.178 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113945158 1412357288 /nfs/dbraw/zinc/35/72/88/1412357288.db2.gz VAUWTQAKKSXKNN-DLBZAZTESA-N 1 1 395.525 3.178 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000114468871 1412439977 /nfs/dbraw/zinc/43/99/77/1412439977.db2.gz ZOGMFOPDAKKDRV-HXUWFJFHSA-N 1 1 383.448 3.214 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000114468415 1412440157 /nfs/dbraw/zinc/44/01/57/1412440157.db2.gz JFLFXEGZUJGKPS-SFHVURJKSA-N 1 1 383.448 3.214 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000114468415 1412440160 /nfs/dbraw/zinc/44/01/60/1412440160.db2.gz JFLFXEGZUJGKPS-SFHVURJKSA-N 1 1 383.448 3.214 20 5 GGBDMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000114501634 1412447369 /nfs/dbraw/zinc/44/73/69/1412447369.db2.gz NUFSDOLGFRJLOQ-RYUDHWBXSA-N 1 1 391.399 3.429 20 5 GGBDMO CCOc1ccccc1C[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000114725059 1412511558 /nfs/dbraw/zinc/51/15/58/1412511558.db2.gz WXNOTSGMLQXLNR-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115275069 1412630284 /nfs/dbraw/zinc/63/02/84/1412630284.db2.gz JLFBYTMWEZCTKB-HIFRSBDPSA-N 1 1 383.876 3.115 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000115275369 1412631910 /nfs/dbraw/zinc/63/19/10/1412631910.db2.gz VSZBXVLYUKIAFS-DYVFJYSZSA-N 1 1 383.876 3.115 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000115487271 1412690434 /nfs/dbraw/zinc/69/04/34/1412690434.db2.gz CWIFBTIQEPDIBV-CJNGLKHVSA-N 1 1 383.876 3.115 20 5 GGBDMO C[N@@H+](CCCO)C1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000115519740 1412700426 /nfs/dbraw/zinc/70/04/26/1412700426.db2.gz MCWOFYLKUYCASP-UHFFFAOYSA-N 1 1 397.475 3.109 20 5 GGBDMO O=C(CCc1ccccc1)N1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000177291837 1428674549 /nfs/dbraw/zinc/67/45/49/1428674549.db2.gz FWLNTBZQPFYYTJ-UHFFFAOYSA-N 1 1 397.475 3.141 20 5 GGBDMO O=C(CCc1ccccc1)N1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000177291837 1428674559 /nfs/dbraw/zinc/67/45/59/1428674559.db2.gz FWLNTBZQPFYYTJ-UHFFFAOYSA-N 1 1 397.475 3.141 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000115748718 1412777093 /nfs/dbraw/zinc/77/70/93/1412777093.db2.gz BUSUTIIVDSCJPW-ZBFHGGJFSA-N 1 1 378.473 3.162 20 5 GGBDMO C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2C1 ZINC000116640131 1412890392 /nfs/dbraw/zinc/89/03/92/1412890392.db2.gz FBCDUHBREURJHF-UHFFFAOYSA-N 1 1 389.839 3.496 20 5 GGBDMO C[N@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2C1 ZINC000116640131 1412890395 /nfs/dbraw/zinc/89/03/95/1412890395.db2.gz FBCDUHBREURJHF-UHFFFAOYSA-N 1 1 389.839 3.496 20 5 GGBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000116754566 1412916449 /nfs/dbraw/zinc/91/64/49/1412916449.db2.gz RPEVBQNAZDDQAA-AWEZNQCLSA-N 1 1 381.860 3.150 20 5 GGBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCOc1ccc(F)cc1 ZINC000117334247 1413026320 /nfs/dbraw/zinc/02/63/20/1413026320.db2.gz IJGOGVAJHQJZPY-UHFFFAOYSA-N 1 1 389.383 3.043 20 5 GGBDMO CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccc(OC)cc1 ZINC000117335876 1413026505 /nfs/dbraw/zinc/02/65/05/1413026505.db2.gz UNWIZOCWKKBRQR-UHFFFAOYSA-N 1 1 385.420 3.424 20 5 GGBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCc2ccccc2C1 ZINC000117341979 1413027188 /nfs/dbraw/zinc/02/71/88/1413027188.db2.gz OIYSCKKDAVRBPS-KRWDZBQOSA-N 1 1 381.432 3.382 20 5 GGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000117338359 1413027342 /nfs/dbraw/zinc/02/73/42/1413027342.db2.gz PODDFJXZOJZRLA-INIZCTEOSA-N 1 1 382.420 3.079 20 5 GGBDMO COc1ccc([C@@H]2CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000117337676 1413027493 /nfs/dbraw/zinc/02/74/93/1413027493.db2.gz YQFQZLCWBSIKBH-MRXNPFEDSA-N 1 1 397.431 3.391 20 5 GGBDMO COc1ccc([C@H]2CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)cc1 ZINC000117337679 1413027718 /nfs/dbraw/zinc/02/77/18/1413027718.db2.gz YQFQZLCWBSIKBH-INIZCTEOSA-N 1 1 397.431 3.391 20 5 GGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000117341645 1413027761 /nfs/dbraw/zinc/02/77/61/1413027761.db2.gz AKTZFWVZHXOGHN-KRWDZBQOSA-N 1 1 397.431 3.436 20 5 GGBDMO COc1ccc(CCC[N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000117336378 1413028099 /nfs/dbraw/zinc/02/80/99/1413028099.db2.gz JDNBTFNDJQJJSS-UHFFFAOYSA-N 1 1 399.447 3.466 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000117744474 1413074117 /nfs/dbraw/zinc/07/41/17/1413074117.db2.gz XGEJPGCIFPEJRM-KRWDZBQOSA-N 1 1 391.855 3.218 20 5 GGBDMO C[C@H](c1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000118031787 1413100405 /nfs/dbraw/zinc/10/04/05/1413100405.db2.gz PIADONDYRBDGSB-MRXNPFEDSA-N 1 1 398.463 3.352 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](OCCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000177375369 1428709742 /nfs/dbraw/zinc/70/97/42/1428709742.db2.gz LXWCLHMPQDSEOL-MRXNPFEDSA-N 1 1 379.457 3.069 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000177375076 1428710033 /nfs/dbraw/zinc/71/00/33/1428710033.db2.gz RUKYBMNPNWBSDT-MRXNPFEDSA-N 1 1 379.457 3.069 20 5 GGBDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000118860501 1413250175 /nfs/dbraw/zinc/25/01/75/1413250175.db2.gz XOQZFYMXOMNLBE-HNNXBMFYSA-N 1 1 397.439 3.197 20 5 GGBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000118860501 1413250191 /nfs/dbraw/zinc/25/01/91/1413250191.db2.gz XOQZFYMXOMNLBE-HNNXBMFYSA-N 1 1 397.439 3.197 20 5 GGBDMO O=C(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(Cl)c1 ZINC000118866180 1413253200 /nfs/dbraw/zinc/25/32/00/1413253200.db2.gz YKSAMOPHIWWERJ-OAHLLOKOSA-N 1 1 389.843 3.158 20 5 GGBDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866754 1413253486 /nfs/dbraw/zinc/25/34/86/1413253486.db2.gz ALWXAKOITAQGQN-HOTGVXAUSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866754 1413253504 /nfs/dbraw/zinc/25/35/04/1413253504.db2.gz ALWXAKOITAQGQN-HOTGVXAUSA-N 1 1 383.452 3.120 20 5 GGBDMO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc2ccccc21 ZINC000118866514 1413254253 /nfs/dbraw/zinc/25/42/53/1413254253.db2.gz QYLSEXSZBXQMPR-MRXNPFEDSA-N 1 1 391.431 3.268 20 5 GGBDMO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc2ccccc21 ZINC000118866514 1413254266 /nfs/dbraw/zinc/25/42/66/1413254266.db2.gz QYLSEXSZBXQMPR-MRXNPFEDSA-N 1 1 391.431 3.268 20 5 GGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000118948683 1413270863 /nfs/dbraw/zinc/27/08/63/1413270863.db2.gz ILLNVOYLGAFLPV-HNNXBMFYSA-N 1 1 378.432 3.423 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000118948683 1413270869 /nfs/dbraw/zinc/27/08/69/1413270869.db2.gz ILLNVOYLGAFLPV-HNNXBMFYSA-N 1 1 378.432 3.423 20 5 GGBDMO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177392341 1428715912 /nfs/dbraw/zinc/71/59/12/1428715912.db2.gz FNWFMNFYPHZZDU-AWEZNQCLSA-N 1 1 379.420 3.485 20 5 GGBDMO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177392341 1428715915 /nfs/dbraw/zinc/71/59/15/1428715915.db2.gz FNWFMNFYPHZZDU-AWEZNQCLSA-N 1 1 379.420 3.485 20 5 GGBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@H]1CCC[N@@H+](C)C1 ZINC000119129076 1413348644 /nfs/dbraw/zinc/34/86/44/1413348644.db2.gz JBMITMANDOURHT-SFHVURJKSA-N 1 1 382.464 3.373 20 5 GGBDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000119170675 1413363532 /nfs/dbraw/zinc/36/35/32/1413363532.db2.gz QHHPIFCODKXHHM-UHFFFAOYSA-N 1 1 389.839 3.375 20 5 GGBDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000119541236 1413481061 /nfs/dbraw/zinc/48/10/61/1413481061.db2.gz WPEAIDWSLDBZIY-CYBMUJFWSA-N 1 1 389.524 3.079 20 5 GGBDMO CCN1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CC1 ZINC000119592207 1413496862 /nfs/dbraw/zinc/49/68/62/1413496862.db2.gz SRFPJDTVATYEJT-LJQANCHMSA-N 1 1 384.480 3.067 20 5 GGBDMO CCN1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CC1 ZINC000119592207 1413496872 /nfs/dbraw/zinc/49/68/72/1413496872.db2.gz SRFPJDTVATYEJT-LJQANCHMSA-N 1 1 384.480 3.067 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000119672587 1413525716 /nfs/dbraw/zinc/52/57/16/1413525716.db2.gz JRANZYILRJGPFW-KRWDZBQOSA-N 1 1 388.512 3.293 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000119721214 1413544924 /nfs/dbraw/zinc/54/49/24/1413544924.db2.gz UXHTVCADABFCAC-SJCJKPOMSA-N 1 1 375.375 3.123 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000119941647 1413625328 /nfs/dbraw/zinc/62/53/28/1413625328.db2.gz LGYYYXNCDQSWFV-PXAZEXFGSA-N 1 1 375.375 3.123 20 5 GGBDMO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120057856 1413670466 /nfs/dbraw/zinc/67/04/66/1413670466.db2.gz QAKULUGKKRQMRL-UHFFFAOYSA-N 1 1 381.479 3.361 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000120198332 1413727992 /nfs/dbraw/zinc/72/79/92/1413727992.db2.gz KFTZXCWGWVRGOO-SJORKVTESA-N 1 1 392.500 3.470 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000120242800 1413748046 /nfs/dbraw/zinc/74/80/46/1413748046.db2.gz ZBRJSLUOQUXWGP-INIZCTEOSA-N 1 1 378.473 3.080 20 5 GGBDMO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120312119 1413779524 /nfs/dbraw/zinc/77/95/24/1413779524.db2.gz ASXJTGAFJFOZIN-LSDHHAIUSA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120312119 1413779539 /nfs/dbraw/zinc/77/95/39/1413779539.db2.gz ASXJTGAFJFOZIN-LSDHHAIUSA-N 1 1 385.420 3.084 20 5 GGBDMO CN(C)c1cccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000120312156 1413779603 /nfs/dbraw/zinc/77/96/03/1413779603.db2.gz OWZWWOVBWSABNQ-UHFFFAOYSA-N 1 1 376.844 3.385 20 5 GGBDMO CN(C)c1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000120312156 1413779611 /nfs/dbraw/zinc/77/96/11/1413779611.db2.gz OWZWWOVBWSABNQ-UHFFFAOYSA-N 1 1 376.844 3.385 20 5 GGBDMO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120312321 1413779742 /nfs/dbraw/zinc/77/97/42/1413779742.db2.gz ASXJTGAFJFOZIN-GJZGRUSLSA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120312321 1413779749 /nfs/dbraw/zinc/77/97/49/1413779749.db2.gz ASXJTGAFJFOZIN-GJZGRUSLSA-N 1 1 385.420 3.084 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000120359092 1413801773 /nfs/dbraw/zinc/80/17/73/1413801773.db2.gz IEPAXZFVVWJMPU-GOSISDBHSA-N 1 1 398.463 3.100 20 5 GGBDMO Cc1c(CC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000120416679 1413813030 /nfs/dbraw/zinc/81/30/30/1413813030.db2.gz ODFYRNLKQIACCT-IBGZPJMESA-N 1 1 381.476 3.127 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000177475828 1428758237 /nfs/dbraw/zinc/75/82/37/1428758237.db2.gz MHKXQAQDILHDJO-SJLPKXTDSA-N 1 1 382.464 3.176 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[N@@H+](CC4CCCCC4)CC3)n2)cc1 ZINC000120517675 1413834927 /nfs/dbraw/zinc/83/49/27/1413834927.db2.gz NDJUHCLZPJWCGG-UHFFFAOYSA-N 1 1 398.511 3.399 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000177479028 1428759651 /nfs/dbraw/zinc/75/96/51/1428759651.db2.gz BYONJOYVAZFEIH-ZBFHGGJFSA-N 1 1 393.447 3.254 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000177479028 1428759655 /nfs/dbraw/zinc/75/96/55/1428759655.db2.gz BYONJOYVAZFEIH-ZBFHGGJFSA-N 1 1 393.447 3.254 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000177479028 1428759659 /nfs/dbraw/zinc/75/96/59/1428759659.db2.gz BYONJOYVAZFEIH-ZBFHGGJFSA-N 1 1 393.447 3.254 20 5 GGBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000177478755 1428759849 /nfs/dbraw/zinc/75/98/49/1428759849.db2.gz NPOLVYNFTFWFEB-GDBMZVCRSA-N 1 1 385.468 3.053 20 5 GGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000120603557 1413853088 /nfs/dbraw/zinc/85/30/88/1413853088.db2.gz PRWZLCQXPFKMNJ-SJORKVTESA-N 1 1 379.457 3.067 20 5 GGBDMO CC(C)Oc1cccc(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000120616478 1413856167 /nfs/dbraw/zinc/85/61/67/1413856167.db2.gz HYACQUQKOGZMOQ-UHFFFAOYSA-N 1 1 383.448 3.403 20 5 GGBDMO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000120616478 1413856168 /nfs/dbraw/zinc/85/61/68/1413856168.db2.gz HYACQUQKOGZMOQ-UHFFFAOYSA-N 1 1 383.448 3.403 20 5 GGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000120650238 1413865736 /nfs/dbraw/zinc/86/57/36/1413865736.db2.gz COUBKAAXAZGODU-DLBZAZTESA-N 1 1 377.441 3.028 20 5 GGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COCc1ccccc1F ZINC000120765293 1413896310 /nfs/dbraw/zinc/89/63/10/1413896310.db2.gz ALULPVTXFNXVGJ-MRXNPFEDSA-N 1 1 382.819 3.397 20 5 GGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COCc1ccccc1F ZINC000120765293 1413896315 /nfs/dbraw/zinc/89/63/15/1413896315.db2.gz ALULPVTXFNXVGJ-MRXNPFEDSA-N 1 1 382.819 3.397 20 5 GGBDMO COc1ccccc1COC[C@@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000120765776 1413896824 /nfs/dbraw/zinc/89/68/24/1413896824.db2.gz BTQWBPVYWLGIQW-KRWDZBQOSA-N 1 1 394.855 3.266 20 5 GGBDMO COc1ccccc1COC[C@@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000120765776 1413896826 /nfs/dbraw/zinc/89/68/26/1413896826.db2.gz BTQWBPVYWLGIQW-KRWDZBQOSA-N 1 1 394.855 3.266 20 5 GGBDMO CC(C)C[N@@H+]1CCC[C@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000120798230 1413906538 /nfs/dbraw/zinc/90/65/38/1413906538.db2.gz POYUBHUUAWKJJM-QGZVFWFLSA-N 1 1 385.512 3.453 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000120798230 1413906547 /nfs/dbraw/zinc/90/65/47/1413906547.db2.gz POYUBHUUAWKJJM-QGZVFWFLSA-N 1 1 385.512 3.453 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000120996369 1413971386 /nfs/dbraw/zinc/97/13/86/1413971386.db2.gz YFSBWVOFGJDQTC-SFHVURJKSA-N 1 1 396.491 3.154 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121026961 1413981071 /nfs/dbraw/zinc/98/10/71/1413981071.db2.gz QHGLFXLKPRDAJS-QGZVFWFLSA-N 1 1 382.464 3.130 20 5 GGBDMO Cc1c(CC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000121041863 1413986894 /nfs/dbraw/zinc/98/68/94/1413986894.db2.gz CANFELLFBUTPAN-INIZCTEOSA-N 1 1 383.448 3.478 20 5 GGBDMO O=C(C[NH+]1CCC(OCC2CCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177503429 1428772662 /nfs/dbraw/zinc/77/26/62/1428772662.db2.gz VJTIEGXHSKNPDK-UHFFFAOYSA-N 1 1 387.480 3.155 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000177532828 1428783933 /nfs/dbraw/zinc/78/39/33/1428783933.db2.gz KURCYJMWYBQYQJ-LBPRGKRZSA-N 1 1 386.399 3.392 20 5 GGBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000121566875 1414180679 /nfs/dbraw/zinc/18/06/79/1414180679.db2.gz SESTYOPONAYGFE-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCc2sccc2C1 ZINC000121566875 1414180686 /nfs/dbraw/zinc/18/06/86/1414180686.db2.gz SESTYOPONAYGFE-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121574438 1414184068 /nfs/dbraw/zinc/18/40/68/1414184068.db2.gz GVLOAEJMCIKYPA-OAQYLSRUSA-N 1 1 399.447 3.180 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121574438 1414184073 /nfs/dbraw/zinc/18/40/73/1414184073.db2.gz GVLOAEJMCIKYPA-OAQYLSRUSA-N 1 1 399.447 3.180 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000121580097 1414185516 /nfs/dbraw/zinc/18/55/16/1414185516.db2.gz JMQFBHRSXRLORJ-OXJNMPFZSA-N 1 1 383.448 3.287 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000121580097 1414185520 /nfs/dbraw/zinc/18/55/20/1414185520.db2.gz JMQFBHRSXRLORJ-OXJNMPFZSA-N 1 1 383.448 3.287 20 5 GGBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177549707 1428789194 /nfs/dbraw/zinc/78/91/94/1428789194.db2.gz GRWZPUOPPLIGOY-HIFRSBDPSA-N 1 1 383.404 3.140 20 5 GGBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177549707 1428789198 /nfs/dbraw/zinc/78/91/98/1428789198.db2.gz GRWZPUOPPLIGOY-HIFRSBDPSA-N 1 1 383.404 3.140 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121664629 1414216751 /nfs/dbraw/zinc/21/67/51/1414216751.db2.gz ZRQIYSGHNYNHIO-OAQYLSRUSA-N 1 1 383.448 3.479 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121664629 1414216756 /nfs/dbraw/zinc/21/67/56/1414216756.db2.gz ZRQIYSGHNYNHIO-OAQYLSRUSA-N 1 1 383.448 3.479 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC(F)F ZINC000122283807 1414411453 /nfs/dbraw/zinc/41/14/53/1414411453.db2.gz CLNPHSBEDIJNCS-CYBMUJFWSA-N 1 1 394.378 3.286 20 5 GGBDMO CC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177606596 1428808905 /nfs/dbraw/zinc/80/89/05/1428808905.db2.gz ZFDQPDQQIHPRKP-SJORKVTESA-N 1 1 389.477 3.066 20 5 GGBDMO CC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177606596 1428808908 /nfs/dbraw/zinc/80/89/08/1428808908.db2.gz ZFDQPDQQIHPRKP-SJORKVTESA-N 1 1 389.477 3.066 20 5 GGBDMO CC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177606630 1428809077 /nfs/dbraw/zinc/80/90/77/1428809077.db2.gz ZFDQPDQQIHPRKP-IAGOWNOFSA-N 1 1 389.477 3.066 20 5 GGBDMO CC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177606630 1428809080 /nfs/dbraw/zinc/80/90/80/1428809080.db2.gz ZFDQPDQQIHPRKP-IAGOWNOFSA-N 1 1 389.477 3.066 20 5 GGBDMO Cc1cc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc([N+](=O)[O-])c1 ZINC000122535507 1414492672 /nfs/dbraw/zinc/49/26/72/1414492672.db2.gz BLWIRKCLZKQPNT-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1cc(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc([N+](=O)[O-])c1 ZINC000122535507 1414492684 /nfs/dbraw/zinc/49/26/84/1414492684.db2.gz BLWIRKCLZKQPNT-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@H+]1CCc2ccccc2C1 ZINC000122556385 1414499460 /nfs/dbraw/zinc/49/94/60/1414499460.db2.gz ZQHUFEJRDOJLQV-OAHLLOKOSA-N 1 1 390.443 3.320 20 5 GGBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000122757078 1414557785 /nfs/dbraw/zinc/55/77/85/1414557785.db2.gz JIKAVRQHRHPPID-UHFFFAOYSA-N 1 1 390.443 3.321 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1)CC(F)(F)F ZINC000177636666 1428818296 /nfs/dbraw/zinc/81/82/96/1428818296.db2.gz CDAHSHQZFIIBIK-CYBMUJFWSA-N 1 1 385.390 3.108 20 5 GGBDMO Cc1cc(F)cc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000122984516 1414612746 /nfs/dbraw/zinc/61/27/46/1414612746.db2.gz FMHBWXWOEBMDDU-LBPRGKRZSA-N 1 1 377.441 3.280 20 5 GGBDMO Cc1cc(F)cc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000122984516 1414612748 /nfs/dbraw/zinc/61/27/48/1414612748.db2.gz FMHBWXWOEBMDDU-LBPRGKRZSA-N 1 1 377.441 3.280 20 5 GGBDMO Cc1sc(S(=O)(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000123110789 1414644379 /nfs/dbraw/zinc/64/43/79/1414644379.db2.gz VIOJSIRMEBGAJG-UHFFFAOYSA-N 1 1 397.522 3.283 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000123185108 1414663217 /nfs/dbraw/zinc/66/32/17/1414663217.db2.gz ISTMSCNPTKLDFM-ZIAGYGMSSA-N 1 1 376.457 3.378 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000123623130 1414798952 /nfs/dbraw/zinc/79/89/52/1414798952.db2.gz XZLZNEARUORUGE-SJORKVTESA-N 1 1 393.509 3.218 20 5 GGBDMO COc1ccc(CSCC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000123667948 1414806315 /nfs/dbraw/zinc/80/63/15/1414806315.db2.gz HQFHDSPSDQFDEO-HNNXBMFYSA-N 1 1 395.525 3.217 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000124178352 1414901118 /nfs/dbraw/zinc/90/11/18/1414901118.db2.gz JDOMDXAGRSIYKR-QGZVFWFLSA-N 1 1 383.448 3.497 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177759351 1428851675 /nfs/dbraw/zinc/85/16/75/1428851675.db2.gz PCQIRUVZMPGOSL-ZBFHGGJFSA-N 1 1 386.477 3.417 20 5 GGBDMO O=C(c1ccccc1)N1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000124733621 1415031563 /nfs/dbraw/zinc/03/15/63/1415031563.db2.gz IFFRYXLXGAVILZ-UHFFFAOYSA-N 1 1 383.448 3.212 20 5 GGBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(C)o1 ZINC000125291580 1415154427 /nfs/dbraw/zinc/15/44/27/1415154427.db2.gz CLIXBAJQSJCZAJ-UHFFFAOYSA-N 1 1 375.425 3.282 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000125308511 1415159119 /nfs/dbraw/zinc/15/91/19/1415159119.db2.gz PFFDHJCEUWIYKZ-DNVCBOLYSA-N 1 1 387.480 3.357 20 5 GGBDMO O=C(C[NH+]1CCC(OC2CCCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000125484365 1415212350 /nfs/dbraw/zinc/21/23/50/1415212350.db2.gz GJTWXIINNWUAIO-UHFFFAOYSA-N 1 1 387.480 3.298 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000177876046 1428880070 /nfs/dbraw/zinc/88/00/70/1428880070.db2.gz VEMBYQHUYLSWCD-UWJYYQICSA-N 1 1 396.491 3.069 20 5 GGBDMO Cn1c2ccccc2nc1[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000125958587 1415322647 /nfs/dbraw/zinc/32/26/47/1415322647.db2.gz KPYJBGJAZNWZDN-IBGZPJMESA-N 1 1 376.420 3.057 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000126004915 1415334478 /nfs/dbraw/zinc/33/44/78/1415334478.db2.gz SRYVKIQFYWSEDY-CALCHBBNSA-N 1 1 397.475 3.177 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000126004915 1415334479 /nfs/dbraw/zinc/33/44/79/1415334479.db2.gz SRYVKIQFYWSEDY-CALCHBBNSA-N 1 1 397.475 3.177 20 5 GGBDMO Cn1c2ccccc2nc1[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000126101877 1415358796 /nfs/dbraw/zinc/35/87/96/1415358796.db2.gz RHOGIGQKQRFXMB-IBGZPJMESA-N 1 1 376.420 3.057 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[N@@H+](Cc4ccccc4)CC3)n2)cc1 ZINC000126152324 1415370876 /nfs/dbraw/zinc/37/08/76/1415370876.db2.gz YSUOPLZZPGBMLC-UHFFFAOYSA-N 1 1 392.463 3.019 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cn1 ZINC000126280593 1415401976 /nfs/dbraw/zinc/40/19/76/1415401976.db2.gz LZPWRPDYPPNXMI-UHFFFAOYSA-N 1 1 396.363 3.261 20 5 GGBDMO C[C@@]1(O)CC[N@@H+]([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000178001046 1428926721 /nfs/dbraw/zinc/92/67/21/1428926721.db2.gz AHEDBZVMZZSNBH-PKOBYXMFSA-N 1 1 389.839 3.385 20 5 GGBDMO C[C@@]1(O)CC[N@H+]([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000178001046 1428926735 /nfs/dbraw/zinc/92/67/35/1428926735.db2.gz AHEDBZVMZZSNBH-PKOBYXMFSA-N 1 1 389.839 3.385 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126727823 1415540778 /nfs/dbraw/zinc/54/07/78/1415540778.db2.gz YUNHTAWCVITMAO-UZLBHIALSA-N 1 1 386.496 3.262 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178045030 1428954302 /nfs/dbraw/zinc/95/43/02/1428954302.db2.gz BMAGMNOLCBVDFD-KRWDZBQOSA-N 1 1 383.448 3.116 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178046521 1428954990 /nfs/dbraw/zinc/95/49/90/1428954990.db2.gz LTGZIYSAMJCJCE-INIZCTEOSA-N 1 1 383.448 3.245 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178046521 1428954992 /nfs/dbraw/zinc/95/49/92/1428954992.db2.gz LTGZIYSAMJCJCE-INIZCTEOSA-N 1 1 383.448 3.245 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@H+]1Cc1ccccc1 ZINC000127056539 1415649352 /nfs/dbraw/zinc/64/93/52/1415649352.db2.gz DEEODHARPYWTLG-YJBOKZPZSA-N 1 1 392.459 3.398 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000127582044 1415813617 /nfs/dbraw/zinc/81/36/17/1415813617.db2.gz ZHQROTSLEGFWTA-UHFFFAOYSA-N 1 1 390.484 3.368 20 5 GGBDMO Nc1c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000178158424 1429002601 /nfs/dbraw/zinc/00/26/01/1429002601.db2.gz UVUXKKVTOSQGJR-UHFFFAOYSA-N 1 1 388.855 3.179 20 5 GGBDMO Nc1c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000178158424 1429002606 /nfs/dbraw/zinc/00/26/06/1429002606.db2.gz UVUXKKVTOSQGJR-UHFFFAOYSA-N 1 1 388.855 3.179 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000127708977 1415836703 /nfs/dbraw/zinc/83/67/03/1415836703.db2.gz ZHOQCZHKWKDAEW-MRXNPFEDSA-N 1 1 378.473 3.080 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000178174649 1429007301 /nfs/dbraw/zinc/00/73/01/1429007301.db2.gz DOFNDUHFMXWJNC-UHFFFAOYSA-N 1 1 389.843 3.054 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127817284 1415856657 /nfs/dbraw/zinc/85/66/57/1415856657.db2.gz RITHJPJYVFWUDG-LJQANCHMSA-N 1 1 382.464 3.425 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000178190547 1429014118 /nfs/dbraw/zinc/01/41/18/1429014118.db2.gz MVUHRDKSORZZCL-UHFFFAOYSA-N 1 1 389.843 3.054 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178241728 1429028760 /nfs/dbraw/zinc/02/87/60/1429028760.db2.gz YZIMGKBWVPYXDC-CALCHBBNSA-N 1 1 389.496 3.255 20 5 GGBDMO Cc1cc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc([N+](=O)[O-])c1 ZINC000178246848 1429031559 /nfs/dbraw/zinc/03/15/59/1429031559.db2.gz AGTPTFQBAIKWFM-CALCHBBNSA-N 1 1 389.496 3.255 20 5 GGBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000128374618 1415974254 /nfs/dbraw/zinc/97/42/54/1415974254.db2.gz AMDKJUZMODKHNC-UHFFFAOYSA-N 1 1 389.477 3.059 20 5 GGBDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000128487756 1415998665 /nfs/dbraw/zinc/99/86/65/1415998665.db2.gz UIHYOXWSVIHPNT-SFHVURJKSA-N 1 1 389.427 3.173 20 5 GGBDMO O=C(CC[N@H+](CCO)[C@@H]1CCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC000128841550 1416082901 /nfs/dbraw/zinc/08/29/01/1416082901.db2.gz XQUJHNUTZPISOX-LJQANCHMSA-N 1 1 387.411 3.044 20 5 GGBDMO C[C@]1(c2ccccc2)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000128907126 1416097910 /nfs/dbraw/zinc/09/79/10/1416097910.db2.gz ANMPKEMHWXLTEW-HXUWFJFHSA-N 1 1 387.411 3.310 20 5 GGBDMO C[C@]1(c2ccccc2)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000128907126 1416097919 /nfs/dbraw/zinc/09/79/19/1416097919.db2.gz ANMPKEMHWXLTEW-HXUWFJFHSA-N 1 1 387.411 3.310 20 5 GGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000128927958 1416104675 /nfs/dbraw/zinc/10/46/75/1416104675.db2.gz XTKVWFKVWFCAFK-DLBZAZTESA-N 1 1 379.432 3.342 20 5 GGBDMO O=C(CC[N@@H+]1CCc2c(F)cc(F)cc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128947134 1416110725 /nfs/dbraw/zinc/11/07/25/1416110725.db2.gz CFFPREJJNGEARO-UHFFFAOYSA-N 1 1 379.338 3.399 20 5 GGBDMO O=C(CC[N@H+]1CCc2c(F)cc(F)cc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128947134 1416110734 /nfs/dbraw/zinc/11/07/34/1416110734.db2.gz CFFPREJJNGEARO-UHFFFAOYSA-N 1 1 379.338 3.399 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000178387825 1429067184 /nfs/dbraw/zinc/06/71/84/1429067184.db2.gz BULSASNZAZQGTE-UHFFFAOYSA-N 1 1 390.484 3.500 20 5 GGBDMO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000129125414 1416150984 /nfs/dbraw/zinc/15/09/84/1416150984.db2.gz RLHUBUYUTBKHJP-OAUYIBNBSA-N 1 1 398.385 3.254 20 5 GGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000129175417 1416163610 /nfs/dbraw/zinc/16/36/10/1416163610.db2.gz HHKLYAWFBCSATF-KBPBESRZSA-N 1 1 395.525 3.324 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000129368772 1416197922 /nfs/dbraw/zinc/19/79/22/1416197922.db2.gz BUNKTHXLASHISD-CQSZACIVSA-N 1 1 395.431 3.118 20 5 GGBDMO C[N@H+](CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000129984447 1416296180 /nfs/dbraw/zinc/29/61/80/1416296180.db2.gz FTROLYQKHFKJOZ-DNVCBOLYSA-N 1 1 387.461 3.060 20 5 GGBDMO C[N@@H+](CC(=O)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000129984447 1416296185 /nfs/dbraw/zinc/29/61/85/1416296185.db2.gz FTROLYQKHFKJOZ-DNVCBOLYSA-N 1 1 387.461 3.060 20 5 GGBDMO CC(C)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1nc(C2CC2)no1 ZINC000129996557 1416299888 /nfs/dbraw/zinc/29/98/88/1416299888.db2.gz SLDKSRQUTBDKBD-INIZCTEOSA-N 1 1 391.403 3.310 20 5 GGBDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130108192 1416319435 /nfs/dbraw/zinc/31/94/35/1416319435.db2.gz SHZIHAXJGOGJGZ-HNNXBMFYSA-N 1 1 376.434 3.335 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000130655840 1416418479 /nfs/dbraw/zinc/41/84/79/1416418479.db2.gz DAWUXSXFLSFBDM-MRXNPFEDSA-N 1 1 385.468 3.165 20 5 GGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000130841774 1416464818 /nfs/dbraw/zinc/46/48/18/1416464818.db2.gz UFOZGHPZQMZSQO-CRAIPNDOSA-N 1 1 382.464 3.302 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000131106153 1416509622 /nfs/dbraw/zinc/50/96/22/1416509622.db2.gz BBESMNCJRCVHBQ-UHFFFAOYSA-N 1 1 377.485 3.114 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)o2)cc1 ZINC000131104859 1416509638 /nfs/dbraw/zinc/50/96/38/1416509638.db2.gz PRDVRZYYMPDERK-QGZVFWFLSA-N 1 1 385.464 3.399 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000131310575 1416538162 /nfs/dbraw/zinc/53/81/62/1416538162.db2.gz SEVNCDGDIHZNBR-ZDUSSCGKSA-N 1 1 391.390 3.118 20 5 GGBDMO CCN1CCC[C@H]1C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000131310575 1416538164 /nfs/dbraw/zinc/53/81/64/1416538164.db2.gz SEVNCDGDIHZNBR-ZDUSSCGKSA-N 1 1 391.390 3.118 20 5 GGBDMO CN(C)S(=O)(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000131770147 1416616630 /nfs/dbraw/zinc/61/66/30/1416616630.db2.gz HMCWZRZMGRFNMA-UHFFFAOYSA-N 1 1 389.477 3.010 20 5 GGBDMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000131770147 1416616633 /nfs/dbraw/zinc/61/66/33/1416616633.db2.gz HMCWZRZMGRFNMA-UHFFFAOYSA-N 1 1 389.477 3.010 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000131778196 1416618277 /nfs/dbraw/zinc/61/82/77/1416618277.db2.gz XUAJVQRDIGPLJM-UHFFFAOYSA-N 1 1 377.391 3.480 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000131778196 1416618281 /nfs/dbraw/zinc/61/82/81/1416618281.db2.gz XUAJVQRDIGPLJM-UHFFFAOYSA-N 1 1 377.391 3.480 20 5 GGBDMO COc1cccc([C@@H](C)[NH+]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000178580920 1429112953 /nfs/dbraw/zinc/11/29/53/1429112953.db2.gz WXLWDTMPMIEAHA-IERDGZPVSA-N 1 1 385.464 3.016 20 5 GGBDMO Cc1c(CC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000178595199 1429116547 /nfs/dbraw/zinc/11/65/47/1429116547.db2.gz WPDZQNNJGQJEPL-UHFFFAOYSA-N 1 1 382.464 3.226 20 5 GGBDMO COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131966951 1416661661 /nfs/dbraw/zinc/66/16/61/1416661661.db2.gz OKICQJRCRGRBGM-INIZCTEOSA-N 1 1 383.448 3.340 20 5 GGBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000132255178 1416724982 /nfs/dbraw/zinc/72/49/82/1416724982.db2.gz WWOOWYIDGIUWQE-UHFFFAOYSA-N 1 1 392.500 3.175 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000132455126 1416763933 /nfs/dbraw/zinc/76/39/33/1416763933.db2.gz DDPXQBODOJIPEV-OAHLLOKOSA-N 1 1 385.420 3.085 20 5 GGBDMO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000132490092 1416772081 /nfs/dbraw/zinc/77/20/81/1416772081.db2.gz KLONEEYJFLWVEJ-MJGOQNOKSA-N 1 1 397.475 3.485 20 5 GGBDMO C[C@H]1C[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000132489869 1416772166 /nfs/dbraw/zinc/77/21/66/1416772166.db2.gz KLONEEYJFLWVEJ-PKOBYXMFSA-N 1 1 397.475 3.485 20 5 GGBDMO C[C@H]1C[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000132525067 1416777798 /nfs/dbraw/zinc/77/77/98/1416777798.db2.gz VWBWEUADDBFZEV-HKUYNNGSSA-N 1 1 397.475 3.485 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COCc1ccccc1Cl)CC2 ZINC000132590808 1416789564 /nfs/dbraw/zinc/78/95/64/1416789564.db2.gz UEKSCOAIELIUQK-GOSISDBHSA-N 1 1 376.840 3.184 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COCc1ccccc1Cl)CC2 ZINC000132590808 1416789569 /nfs/dbraw/zinc/78/95/69/1416789569.db2.gz UEKSCOAIELIUQK-GOSISDBHSA-N 1 1 376.840 3.184 20 5 GGBDMO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178654496 1429129769 /nfs/dbraw/zinc/12/97/69/1429129769.db2.gz XBZXIEMAZUEGKN-JXFKEZNVSA-N 1 1 396.491 3.143 20 5 GGBDMO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178654496 1429129770 /nfs/dbraw/zinc/12/97/70/1429129770.db2.gz XBZXIEMAZUEGKN-JXFKEZNVSA-N 1 1 396.491 3.143 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000132720854 1416807918 /nfs/dbraw/zinc/80/79/18/1416807918.db2.gz XOFGRCCUHBXWBB-UHFFFAOYSA-N 1 1 382.395 3.166 20 5 GGBDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCn4cc([N+](=O)[O-])ccc4=O)CC3)c2c1 ZINC000132725794 1416808428 /nfs/dbraw/zinc/80/84/28/1416808428.db2.gz XRMMKKUWSHLPDJ-UHFFFAOYSA-N 1 1 394.431 3.036 20 5 GGBDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000132856423 1416823636 /nfs/dbraw/zinc/82/36/36/1416823636.db2.gz LHAOXWJHZVJQEQ-UHFFFAOYSA-N 1 1 386.427 3.124 20 5 GGBDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000133024344 1416843187 /nfs/dbraw/zinc/84/31/87/1416843187.db2.gz VJGAJESPCJLCBT-UHFFFAOYSA-N 1 1 378.432 3.336 20 5 GGBDMO CCOC(=O)c1ccnc(NCCc2[nH+]ccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000133280907 1416873868 /nfs/dbraw/zinc/87/38/68/1416873868.db2.gz CBEPHIQWOFHQLP-UHFFFAOYSA-N 1 1 395.419 3.066 20 5 GGBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133588370 1416912700 /nfs/dbraw/zinc/91/27/00/1416912700.db2.gz HLHXZLVNCGWVGG-UHFFFAOYSA-N 1 1 379.420 3.446 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133588370 1416912712 /nfs/dbraw/zinc/91/27/12/1416912712.db2.gz HLHXZLVNCGWVGG-UHFFFAOYSA-N 1 1 379.420 3.446 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000133596445 1416914354 /nfs/dbraw/zinc/91/43/54/1416914354.db2.gz FTNHMPSBCQVYNL-UHFFFAOYSA-N 1 1 396.447 3.117 20 5 GGBDMO C[N@H+]1CCC[C@H]2CN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133667019 1416935005 /nfs/dbraw/zinc/93/50/05/1416935005.db2.gz XHZCABUZUPBJFR-JQWIXIFHSA-N 1 1 388.346 3.442 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133676313 1416937695 /nfs/dbraw/zinc/93/76/95/1416937695.db2.gz UOBNRDBMDCKQMB-CYBMUJFWSA-N 1 1 377.441 3.437 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133676521 1416938021 /nfs/dbraw/zinc/93/80/21/1416938021.db2.gz UOBNRDBMDCKQMB-ZDUSSCGKSA-N 1 1 377.441 3.437 20 5 GGBDMO NC(=O)c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000133827982 1416971368 /nfs/dbraw/zinc/97/13/68/1416971368.db2.gz MIRIQMCPHTVOJX-OALUTQOASA-N 1 1 394.475 3.185 20 5 GGBDMO Cc1nc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000133998796 1417007938 /nfs/dbraw/zinc/00/79/38/1417007938.db2.gz PDWMROGYHYHJCQ-KBPBESRZSA-N 1 1 384.436 3.160 20 5 GGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(CN3CCOCC3)CC2)o1 ZINC000134097448 1417021945 /nfs/dbraw/zinc/02/19/45/1417021945.db2.gz DOSGCVMJQQBUOS-UHFFFAOYSA-N 1 1 385.464 3.399 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(CN4CCOCC4)CC3)o2)c1 ZINC000134108760 1417023142 /nfs/dbraw/zinc/02/31/42/1417023142.db2.gz ABYLNZWKFCRIQL-UHFFFAOYSA-N 1 1 385.464 3.399 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCC[N@H+]1CCc2ccccc2C1 ZINC000134166067 1417031946 /nfs/dbraw/zinc/03/19/46/1417031946.db2.gz CLMFSEGWGOGXOT-UHFFFAOYSA-N 1 1 392.459 3.183 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c2c(c1)COCO2 ZINC000134294584 1417051466 /nfs/dbraw/zinc/05/14/66/1417051466.db2.gz VJBORGZYRODESX-UHFFFAOYSA-N 1 1 392.839 3.499 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)c2c(c1)COCO2 ZINC000134294584 1417051469 /nfs/dbraw/zinc/05/14/69/1417051469.db2.gz VJBORGZYRODESX-UHFFFAOYSA-N 1 1 392.839 3.499 20 5 GGBDMO CN(C(=O)C[N@@H+](Cc1ccccc1)CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000134334512 1417057007 /nfs/dbraw/zinc/05/70/07/1417057007.db2.gz RHBBLQRUHPBPDG-UHFFFAOYSA-N 1 1 397.475 3.365 20 5 GGBDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000134645255 1417103644 /nfs/dbraw/zinc/10/36/44/1417103644.db2.gz IXSKMUBBXGNFLL-UKRRQHHQSA-N 1 1 379.457 3.481 20 5 GGBDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000134645255 1417103647 /nfs/dbraw/zinc/10/36/47/1417103647.db2.gz IXSKMUBBXGNFLL-UKRRQHHQSA-N 1 1 379.457 3.481 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000134824743 1417131969 /nfs/dbraw/zinc/13/19/69/1417131969.db2.gz SVMJHSBOXJSIKT-LJQANCHMSA-N 1 1 392.459 3.399 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000134860988 1417135206 /nfs/dbraw/zinc/13/52/06/1417135206.db2.gz GIMHMSXPVDQQRR-CRAIPNDOSA-N 1 1 383.452 3.094 20 5 GGBDMO Cc1c(NC(=O)CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877180 1417138213 /nfs/dbraw/zinc/13/82/13/1417138213.db2.gz AYLSQYCDAFCMCR-OXQOHEQNSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877180 1417138229 /nfs/dbraw/zinc/13/82/29/1417138229.db2.gz AYLSQYCDAFCMCR-OXQOHEQNSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877180 1417138235 /nfs/dbraw/zinc/13/82/35/1417138235.db2.gz AYLSQYCDAFCMCR-OXQOHEQNSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134902099 1417141679 /nfs/dbraw/zinc/14/16/79/1417141679.db2.gz MPSZZWWAEFVIDN-OXQOHEQNSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134902099 1417141715 /nfs/dbraw/zinc/14/17/15/1417141715.db2.gz MPSZZWWAEFVIDN-OXQOHEQNSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134902099 1417141720 /nfs/dbraw/zinc/14/17/20/1417141720.db2.gz MPSZZWWAEFVIDN-OXQOHEQNSA-N 1 1 386.496 3.181 20 5 GGBDMO O=C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000134929108 1417147082 /nfs/dbraw/zinc/14/70/82/1417147082.db2.gz AWVYBDOIXFTDCX-CXAGYDPISA-N 1 1 392.887 3.135 20 5 GGBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000135393108 1417214268 /nfs/dbraw/zinc/21/42/68/1417214268.db2.gz AQPZUTKEYDRVTC-DQYPLSBCSA-N 1 1 398.385 3.254 20 5 GGBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000135803639 1417269851 /nfs/dbraw/zinc/26/98/51/1417269851.db2.gz OFXHKXKVHPQRSY-KRWDZBQOSA-N 1 1 394.475 3.421 20 5 GGBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136503772 1417322069 /nfs/dbraw/zinc/32/20/69/1417322069.db2.gz PCBNEKJXIZYVDG-UHFFFAOYSA-N 1 1 389.839 3.010 20 5 GGBDMO COc1ccc(C(=O)C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000136898482 1417353870 /nfs/dbraw/zinc/35/38/70/1417353870.db2.gz ZPOUSYDEAZFTTG-HXUWFJFHSA-N 1 1 384.432 3.232 20 5 GGBDMO COc1cccc(C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000137004962 1417361678 /nfs/dbraw/zinc/36/16/78/1417361678.db2.gz XUZOAHAJICEMPT-SFTDATJTSA-N 1 1 386.448 3.318 20 5 GGBDMO COc1cccc(C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000137005013 1417361855 /nfs/dbraw/zinc/36/18/55/1417361855.db2.gz XUZOAHAJICEMPT-RTWAWAEBSA-N 1 1 386.448 3.318 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000137447740 1417385681 /nfs/dbraw/zinc/38/56/81/1417385681.db2.gz RNTYKRNOSFFSQL-SJLPKXTDSA-N 1 1 383.448 3.143 20 5 GGBDMO COc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000137458413 1417387261 /nfs/dbraw/zinc/38/72/61/1417387261.db2.gz AKAXIQVAFWKAQI-GOEBONIOSA-N 1 1 399.447 3.005 20 5 GGBDMO Cc1c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137489570 1417388908 /nfs/dbraw/zinc/38/89/08/1417388908.db2.gz DNGHZHKWZXMBSV-CJNGLKHVSA-N 1 1 398.419 3.204 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)nc3)C2)nc1 ZINC000137512430 1417389768 /nfs/dbraw/zinc/38/97/68/1417389768.db2.gz NQGPPKZSKRVDPZ-ZDUSSCGKSA-N 1 1 397.357 3.012 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)nc3)C2)nc1 ZINC000137512430 1417389774 /nfs/dbraw/zinc/38/97/74/1417389774.db2.gz NQGPPKZSKRVDPZ-ZDUSSCGKSA-N 1 1 397.357 3.012 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137846440 1417397131 /nfs/dbraw/zinc/39/71/31/1417397131.db2.gz QXIYMNNYLDFJQH-SUMWQHHRSA-N 1 1 398.419 3.204 20 5 GGBDMO C[NH+](C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccccc1Cl ZINC000137970433 1417399455 /nfs/dbraw/zinc/39/94/55/1417399455.db2.gz VRTXHRJZMPKVDG-QGZVFWFLSA-N 1 1 387.827 3.200 20 5 GGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000138228101 1417408394 /nfs/dbraw/zinc/40/83/94/1417408394.db2.gz BXAFPYOLYSWLLY-OAHLLOKOSA-N 1 1 385.468 3.021 20 5 GGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000138573552 1417426410 /nfs/dbraw/zinc/42/64/10/1417426410.db2.gz OSNLTVOXRMUVOL-UHFFFAOYSA-N 1 1 382.464 3.050 20 5 GGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000139187779 1417451405 /nfs/dbraw/zinc/45/14/05/1417451405.db2.gz RRZOEDFBZXLEAC-AEFFLSMTSA-N 1 1 383.448 3.315 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1C ZINC000139254250 1417453738 /nfs/dbraw/zinc/45/37/38/1417453738.db2.gz OZTGDWMQQGJNRW-UXLLHSPISA-N 1 1 395.525 3.238 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000139927920 1417481057 /nfs/dbraw/zinc/48/10/57/1417481057.db2.gz ACNWYEYGLPUOND-CQSZACIVSA-N 1 1 389.477 3.307 20 5 GGBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140035609 1417486209 /nfs/dbraw/zinc/48/62/09/1417486209.db2.gz YYSIMZSMEQNICY-OAHLLOKOSA-N 1 1 389.477 3.064 20 5 GGBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140175081 1417490937 /nfs/dbraw/zinc/49/09/37/1417490937.db2.gz JAGGNZZYSRLWRA-HNNXBMFYSA-N 1 1 389.477 3.064 20 5 GGBDMO O=[N+]([O-])c1c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc2sccn21 ZINC000140359215 1417500368 /nfs/dbraw/zinc/50/03/68/1417500368.db2.gz ZMEIQQMHMHPGEQ-UHFFFAOYSA-N 1 1 375.429 3.155 20 5 GGBDMO CC1CCN(c2ccc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000142340610 1417584904 /nfs/dbraw/zinc/58/49/04/1417584904.db2.gz LTIHNZMUMMKJTO-SFHVURJKSA-N 1 1 386.496 3.141 20 5 GGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000178867782 1429202434 /nfs/dbraw/zinc/20/24/34/1429202434.db2.gz AEFBGEPHPIENOR-KRWDZBQOSA-N 1 1 384.461 3.060 20 5 GGBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000145989785 1417705776 /nfs/dbraw/zinc/70/57/76/1417705776.db2.gz AJNFKNGZURPGPO-UHFFFAOYSA-N 1 1 397.460 3.272 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000149624380 1417778269 /nfs/dbraw/zinc/77/82/69/1417778269.db2.gz LGDHVRGUPFJGMJ-CALCHBBNSA-N 1 1 399.495 3.268 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000150136751 1417785215 /nfs/dbraw/zinc/78/52/15/1417785215.db2.gz KAEATUODMHUQBZ-MRXNPFEDSA-N 1 1 385.420 3.004 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1F ZINC000150849123 1417820278 /nfs/dbraw/zinc/82/02/78/1417820278.db2.gz SAMAQYQMJQKMKF-UHFFFAOYSA-N 1 1 386.358 3.226 20 5 GGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150907135 1417832533 /nfs/dbraw/zinc/83/25/33/1417832533.db2.gz YONGZDGCNOBRDU-LLVKDONJSA-N 1 1 385.848 3.239 20 5 GGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150907135 1417832536 /nfs/dbraw/zinc/83/25/36/1417832536.db2.gz YONGZDGCNOBRDU-LLVKDONJSA-N 1 1 385.848 3.239 20 5 GGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150942302 1417840731 /nfs/dbraw/zinc/84/07/31/1417840731.db2.gz ZJMIRILEDZLTCL-GFCCVEGCSA-N 1 1 376.413 3.369 20 5 GGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150942302 1417840733 /nfs/dbraw/zinc/84/07/33/1417840733.db2.gz ZJMIRILEDZLTCL-GFCCVEGCSA-N 1 1 376.413 3.369 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)c1 ZINC000151252116 1417904299 /nfs/dbraw/zinc/90/42/99/1417904299.db2.gz UAEYVSFDPSSLNA-UHFFFAOYSA-N 1 1 393.856 3.270 20 5 GGBDMO CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151379959 1417942192 /nfs/dbraw/zinc/94/21/92/1417942192.db2.gz GVFXGHRZWMUMLT-VQTJNVASSA-N 1 1 383.448 3.004 20 5 GGBDMO CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151379959 1417942201 /nfs/dbraw/zinc/94/22/01/1417942201.db2.gz GVFXGHRZWMUMLT-VQTJNVASSA-N 1 1 383.448 3.004 20 5 GGBDMO CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151477296 1417992439 /nfs/dbraw/zinc/99/24/39/1417992439.db2.gz OZEXHALZQYKGEU-TZIWHRDSSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151477296 1417992453 /nfs/dbraw/zinc/99/24/53/1417992453.db2.gz OZEXHALZQYKGEU-TZIWHRDSSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151494848 1418002737 /nfs/dbraw/zinc/00/27/37/1418002737.db2.gz SKQAEZJHACNACW-AZUAARDMSA-N 1 1 383.448 3.004 20 5 GGBDMO CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151494848 1418002747 /nfs/dbraw/zinc/00/27/47/1418002747.db2.gz SKQAEZJHACNACW-AZUAARDMSA-N 1 1 383.448 3.004 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000151531336 1418015185 /nfs/dbraw/zinc/01/51/85/1418015185.db2.gz HASCRLQZOOUSJL-UHFFFAOYSA-N 1 1 399.466 3.444 20 5 GGBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000151670648 1418056851 /nfs/dbraw/zinc/05/68/51/1418056851.db2.gz OVVSJLMZBLPTIA-UHFFFAOYSA-N 1 1 393.440 3.025 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)n2)c1 ZINC000151740576 1418075518 /nfs/dbraw/zinc/07/55/18/1418075518.db2.gz UYFDGQVVCCRTQM-ZBFHGGJFSA-N 1 1 384.392 3.326 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)n2)c1 ZINC000151740576 1418075522 /nfs/dbraw/zinc/07/55/22/1418075522.db2.gz UYFDGQVVCCRTQM-ZBFHGGJFSA-N 1 1 384.392 3.326 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000152247982 1418184356 /nfs/dbraw/zinc/18/43/56/1418184356.db2.gz QCUBDCTWRMWBPA-OAHLLOKOSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cccc1[N+](=O)[O-] ZINC000152247982 1418184360 /nfs/dbraw/zinc/18/43/60/1418184360.db2.gz QCUBDCTWRMWBPA-OAHLLOKOSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cccc1[N+](=O)[O-] ZINC000152247982 1418184366 /nfs/dbraw/zinc/18/43/66/1418184366.db2.gz QCUBDCTWRMWBPA-OAHLLOKOSA-N 1 1 398.467 3.107 20 5 GGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000179253078 1429305767 /nfs/dbraw/zinc/30/57/67/1429305767.db2.gz GLPHPKMBRVUFQE-DYVFJYSZSA-N 1 1 375.812 3.307 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](C4OCCO4)C3)cs2)c1 ZINC000179366304 1429346536 /nfs/dbraw/zinc/34/65/36/1429346536.db2.gz FZGAAUZQCFRRSM-CQSZACIVSA-N 1 1 375.450 3.303 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516209 1429404804 /nfs/dbraw/zinc/40/48/04/1429404804.db2.gz JKSBOBSZAQYWQX-HNNXBMFYSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179516209 1429404812 /nfs/dbraw/zinc/40/48/12/1429404812.db2.gz JKSBOBSZAQYWQX-HNNXBMFYSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179516209 1429404818 /nfs/dbraw/zinc/40/48/18/1429404818.db2.gz JKSBOBSZAQYWQX-HNNXBMFYSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1nn(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179546044 1429423476 /nfs/dbraw/zinc/42/34/76/1429423476.db2.gz NCGSSSZWJPQEFT-CQSZACIVSA-N 1 1 389.456 3.057 20 5 GGBDMO Cc1nn(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179546044 1429423488 /nfs/dbraw/zinc/42/34/88/1429423488.db2.gz NCGSSSZWJPQEFT-CQSZACIVSA-N 1 1 389.456 3.057 20 5 GGBDMO Cn1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(-c2cccs2)n1 ZINC000179559937 1429432577 /nfs/dbraw/zinc/43/25/77/1429432577.db2.gz QULUTXGHHVKQSX-UHFFFAOYSA-N 1 1 383.477 3.379 20 5 GGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179555520 1429429903 /nfs/dbraw/zinc/42/99/03/1429429903.db2.gz LXLJASONJFBPDF-UHFFFAOYSA-N 1 1 385.468 3.117 20 5 GGBDMO Cn1cc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179633211 1429481359 /nfs/dbraw/zinc/48/13/59/1429481359.db2.gz BWDXDLHBAQXTKU-GOSISDBHSA-N 1 1 394.431 3.267 20 5 GGBDMO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179655711 1429492599 /nfs/dbraw/zinc/49/25/99/1429492599.db2.gz JXTDGXNZYYLVMW-ZDUSSCGKSA-N 1 1 387.411 3.242 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000179691342 1429509161 /nfs/dbraw/zinc/50/91/61/1429509161.db2.gz DBUPLMDBVRJZOF-UHFFFAOYSA-N 1 1 384.436 3.272 20 5 GGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000179712130 1429517809 /nfs/dbraw/zinc/51/78/09/1429517809.db2.gz QHPDQFSFGRCOMV-CQSZACIVSA-N 1 1 375.856 3.427 20 5 GGBDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000152372771 1422085815 /nfs/dbraw/zinc/08/58/15/1422085815.db2.gz YTWPZQGUGXWDDC-UHFFFAOYSA-N 1 1 375.816 3.306 20 5 GGBDMO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@H+]1CCc2ccccc2C1 ZINC000152438821 1422103466 /nfs/dbraw/zinc/10/34/66/1422103466.db2.gz GHMBQHQMGQJRIC-MRXNPFEDSA-N 1 1 394.475 3.109 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)nc(C)[nH+]1 ZINC000179746101 1429534613 /nfs/dbraw/zinc/53/46/13/1429534613.db2.gz NEXLKRWWGDBZTO-UHFFFAOYSA-N 1 1 397.479 3.326 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000152619272 1422170117 /nfs/dbraw/zinc/17/01/17/1422170117.db2.gz MICNXMQYAWSUPZ-HNNXBMFYSA-N 1 1 391.855 3.201 20 5 GGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000152840280 1422266793 /nfs/dbraw/zinc/26/67/93/1422266793.db2.gz POIPFZCDDFYIMV-HNNXBMFYSA-N 1 1 386.452 3.076 20 5 GGBDMO CC1CCC([N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]2CCCO2)CC1 ZINC000152977299 1422314211 /nfs/dbraw/zinc/31/42/11/1422314211.db2.gz FXZMCBOZCGZJBO-IUPXNIOVSA-N 1 1 375.469 3.253 20 5 GGBDMO O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153006952 1422323956 /nfs/dbraw/zinc/32/39/56/1422323956.db2.gz DOQUAKRHZWZJDT-IBGZPJMESA-N 1 1 391.431 3.491 20 5 GGBDMO CN1CCO[C@H]([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000179764682 1429547975 /nfs/dbraw/zinc/54/79/75/1429547975.db2.gz UPQXSZSXKCOZSH-RBUKOAKNSA-N 1 1 375.856 3.410 20 5 GGBDMO O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000153019042 1422327990 /nfs/dbraw/zinc/32/79/90/1422327990.db2.gz KWMMSOBTVZEEKR-KRWDZBQOSA-N 1 1 391.431 3.491 20 5 GGBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CCN(c3cc(C)cc[nH+]3)CC2)cc1Cl ZINC000153055006 1422341070 /nfs/dbraw/zinc/34/10/70/1422341070.db2.gz QSAZPLFJLXKTMD-UHFFFAOYSA-N 1 1 390.827 3.065 20 5 GGBDMO O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000153059123 1422343120 /nfs/dbraw/zinc/34/31/20/1422343120.db2.gz LABFAYZXQOJGIU-IBGZPJMESA-N 1 1 391.431 3.491 20 5 GGBDMO Cn1cc(CN2CCC[N@H+](C3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179768843 1429551247 /nfs/dbraw/zinc/55/12/47/1429551247.db2.gz DRWKKWFRLXMIMX-UHFFFAOYSA-N 1 1 383.496 3.446 20 5 GGBDMO CCC[N@@H+](CC)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000153255383 1422422166 /nfs/dbraw/zinc/42/21/66/1422422166.db2.gz DIQFBWIPUYNFPP-UHFFFAOYSA-N 1 1 392.681 3.472 20 5 GGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C2CC2)c1 ZINC000153322058 1422469046 /nfs/dbraw/zinc/46/90/46/1422469046.db2.gz KEGUWYACRQCIAT-SFHVURJKSA-N 1 1 381.432 3.480 20 5 GGBDMO CC(=O)c1cccc(OC[C@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153331742 1422474922 /nfs/dbraw/zinc/47/49/22/1422474922.db2.gz RMUJPKQLHUYBJC-HXUWFJFHSA-N 1 1 384.432 3.202 20 5 GGBDMO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153331742 1422474927 /nfs/dbraw/zinc/47/49/27/1422474927.db2.gz RMUJPKQLHUYBJC-HXUWFJFHSA-N 1 1 384.432 3.202 20 5 GGBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153365728 1422497646 /nfs/dbraw/zinc/49/76/46/1422497646.db2.gz QTMAFSYKEVUPFM-BEFAXECRSA-N 1 1 384.480 3.258 20 5 GGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000153372097 1422502164 /nfs/dbraw/zinc/50/21/64/1422502164.db2.gz AVYHBWMMSKXVJB-CXAGYDPISA-N 1 1 375.494 3.406 20 5 GGBDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153451344 1422543942 /nfs/dbraw/zinc/54/39/42/1422543942.db2.gz PANXMXISQUTZHN-OAHLLOKOSA-N 1 1 386.452 3.234 20 5 GGBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153451344 1422543954 /nfs/dbraw/zinc/54/39/54/1422543954.db2.gz PANXMXISQUTZHN-OAHLLOKOSA-N 1 1 386.452 3.234 20 5 GGBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153452036 1422544237 /nfs/dbraw/zinc/54/42/37/1422544237.db2.gz RDKGUCLWPJHUJL-HNNXBMFYSA-N 1 1 386.452 3.378 20 5 GGBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153452036 1422544251 /nfs/dbraw/zinc/54/42/51/1422544251.db2.gz RDKGUCLWPJHUJL-HNNXBMFYSA-N 1 1 386.452 3.378 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)co2)cc1 ZINC000153613026 1422649301 /nfs/dbraw/zinc/64/93/01/1422649301.db2.gz QQBJTFRALHDWEC-OAHLLOKOSA-N 1 1 394.435 3.167 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)co2)cc1 ZINC000153613026 1422649303 /nfs/dbraw/zinc/64/93/03/1422649303.db2.gz QQBJTFRALHDWEC-OAHLLOKOSA-N 1 1 394.435 3.167 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ncc(Cl)cc3[N+](=O)[O-])c2)CCO1 ZINC000153619476 1422653208 /nfs/dbraw/zinc/65/32/08/1422653208.db2.gz DZCYPIHMXKYZOU-CYBMUJFWSA-N 1 1 376.844 3.476 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ncc(Cl)cc3[N+](=O)[O-])c2)CCO1 ZINC000153619476 1422653220 /nfs/dbraw/zinc/65/32/20/1422653220.db2.gz DZCYPIHMXKYZOU-CYBMUJFWSA-N 1 1 376.844 3.476 20 5 GGBDMO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153620778 1422654361 /nfs/dbraw/zinc/65/43/61/1422654361.db2.gz GCQLMDJNXVGVQB-AWEZNQCLSA-N 1 1 385.420 3.481 20 5 GGBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153620778 1422654381 /nfs/dbraw/zinc/65/43/81/1422654381.db2.gz GCQLMDJNXVGVQB-AWEZNQCLSA-N 1 1 385.420 3.481 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)nc(C)[nH+]1 ZINC000153629167 1422659501 /nfs/dbraw/zinc/65/95/01/1422659501.db2.gz SDFBIBLQZPESQL-UHFFFAOYSA-N 1 1 384.440 3.101 20 5 GGBDMO Cc1c(NC(=O)CC[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)cccc1[N+](=O)[O-] ZINC000179805537 1429579748 /nfs/dbraw/zinc/57/97/48/1429579748.db2.gz KADCOCSAPWGFKF-KRWDZBQOSA-N 1 1 387.440 3.479 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000153707997 1422713243 /nfs/dbraw/zinc/71/32/43/1422713243.db2.gz GKQRPGKEENFYML-UHFFFAOYSA-N 1 1 385.449 3.386 20 5 GGBDMO C[C@@H]1C[NH+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)C[C@@H](C)O1 ZINC000153706508 1422713274 /nfs/dbraw/zinc/71/32/74/1422713274.db2.gz QRQLPUIRGWQHIN-FMKPAKJESA-N 1 1 392.477 3.172 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000153790139 1422759767 /nfs/dbraw/zinc/75/97/67/1422759767.db2.gz HTMGHRURHWZQAC-WBVHZDCISA-N 1 1 378.473 3.162 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000153840867 1422792453 /nfs/dbraw/zinc/79/24/53/1422792453.db2.gz CGBMJXHJXHYDOJ-WMZOPIPTSA-N 1 1 395.525 3.011 20 5 GGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000153959193 1422817467 /nfs/dbraw/zinc/81/74/67/1422817467.db2.gz NINHBZNCVKKBRB-ZWKOTPCHSA-N 1 1 389.452 3.172 20 5 GGBDMO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000154001967 1422823842 /nfs/dbraw/zinc/82/38/42/1422823842.db2.gz NJIYXGCAMRJQSF-JKSUJKDBSA-N 1 1 381.860 3.466 20 5 GGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000154001967 1422823843 /nfs/dbraw/zinc/82/38/43/1422823843.db2.gz NJIYXGCAMRJQSF-JKSUJKDBSA-N 1 1 381.860 3.466 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000154028311 1422828245 /nfs/dbraw/zinc/82/82/45/1422828245.db2.gz FXLGVAGIOREBBA-UHFFFAOYSA-N 1 1 379.457 3.284 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000154028311 1422828246 /nfs/dbraw/zinc/82/82/46/1422828246.db2.gz FXLGVAGIOREBBA-UHFFFAOYSA-N 1 1 379.457 3.284 20 5 GGBDMO CCOCc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000179818197 1429590858 /nfs/dbraw/zinc/59/08/58/1429590858.db2.gz VXFRAXOCRNBYAX-QGZVFWFLSA-N 1 1 386.452 3.221 20 5 GGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000154085096 1422837858 /nfs/dbraw/zinc/83/78/58/1422837858.db2.gz JWURMVMERXTYLA-KDOFPFPSSA-N 1 1 375.494 3.162 20 5 GGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000154161491 1422848873 /nfs/dbraw/zinc/84/88/73/1422848873.db2.gz JLXAAZOIMFYWSO-SFHVURJKSA-N 1 1 399.495 3.236 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(OC)cc1 ZINC000154215044 1422856582 /nfs/dbraw/zinc/85/65/82/1422856582.db2.gz IVVTWRGZJBJTHF-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000154254558 1422862524 /nfs/dbraw/zinc/86/25/24/1422862524.db2.gz WCFSFRJNFOGHJU-PBHICJAKSA-N 1 1 386.477 3.275 20 5 GGBDMO COC(=O)CCn1nc(C)c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C ZINC000154286099 1422867311 /nfs/dbraw/zinc/86/73/11/1422867311.db2.gz VSENBVAOGNSUQF-UHFFFAOYSA-N 1 1 386.452 3.136 20 5 GGBDMO COC(=O)CCn1nc(C)c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C ZINC000154286099 1422867312 /nfs/dbraw/zinc/86/73/12/1422867312.db2.gz VSENBVAOGNSUQF-UHFFFAOYSA-N 1 1 386.452 3.136 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cc1OC ZINC000154340576 1422875382 /nfs/dbraw/zinc/87/53/82/1422875382.db2.gz OMXFHEMZCFNTCU-OAHLLOKOSA-N 1 1 393.484 3.242 20 5 GGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154522199 1422900783 /nfs/dbraw/zinc/90/07/83/1422900783.db2.gz GKWVMVUMKRPNCI-GOSISDBHSA-N 1 1 375.400 3.116 20 5 GGBDMO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154522199 1422900800 /nfs/dbraw/zinc/90/08/00/1422900800.db2.gz GKWVMVUMKRPNCI-GOSISDBHSA-N 1 1 375.400 3.116 20 5 GGBDMO CC(C)n1ncc2cc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cnc21 ZINC000154679870 1422999291 /nfs/dbraw/zinc/99/92/91/1422999291.db2.gz AGCZOIFZMIDYLH-UHFFFAOYSA-N 1 1 380.452 3.243 20 5 GGBDMO O=C1N(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)CCN1c1ccccc1[N+](=O)[O-] ZINC000154782375 1423031598 /nfs/dbraw/zinc/03/15/98/1423031598.db2.gz MISZVVJITOFMBH-DLBZAZTESA-N 1 1 376.482 3.154 20 5 GGBDMO O=C1N(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)CCN1c1ccccc1[N+](=O)[O-] ZINC000154782375 1423031603 /nfs/dbraw/zinc/03/16/03/1423031603.db2.gz MISZVVJITOFMBH-DLBZAZTESA-N 1 1 376.482 3.154 20 5 GGBDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000154838117 1423050548 /nfs/dbraw/zinc/05/05/48/1423050548.db2.gz ULNCOHBIFXRQSG-UHFFFAOYSA-N 1 1 391.374 3.000 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155157875 1423202129 /nfs/dbraw/zinc/20/21/29/1423202129.db2.gz IZMMNJQGLSGVMI-LBPRGKRZSA-N 1 1 399.289 3.457 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000155258243 1423281575 /nfs/dbraw/zinc/28/15/75/1423281575.db2.gz NJPFIRPFXKTLEQ-HNNXBMFYSA-N 1 1 393.447 3.208 20 5 GGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000155258243 1423281599 /nfs/dbraw/zinc/28/15/99/1423281599.db2.gz NJPFIRPFXKTLEQ-HNNXBMFYSA-N 1 1 393.447 3.208 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000155258243 1423281620 /nfs/dbraw/zinc/28/16/20/1423281620.db2.gz NJPFIRPFXKTLEQ-HNNXBMFYSA-N 1 1 393.447 3.208 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccc(OC)cc3)C2)c([N+](=O)[O-])c1 ZINC000155297673 1423306368 /nfs/dbraw/zinc/30/63/68/1423306368.db2.gz XVJNURJBMHBTPI-INIZCTEOSA-N 1 1 399.447 3.430 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)c([N+](=O)[O-])c1 ZINC000155297673 1423306381 /nfs/dbraw/zinc/30/63/81/1423306381.db2.gz XVJNURJBMHBTPI-INIZCTEOSA-N 1 1 399.447 3.430 20 5 GGBDMO COc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000155339998 1423324672 /nfs/dbraw/zinc/32/46/72/1423324672.db2.gz YUZXTHRKPXSQOG-INIZCTEOSA-N 1 1 399.447 3.430 20 5 GGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000155371243 1423337732 /nfs/dbraw/zinc/33/77/32/1423337732.db2.gz YISQQSYARDEXQU-PBHICJAKSA-N 1 1 386.477 3.275 20 5 GGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](CNC(C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000155567819 1423422833 /nfs/dbraw/zinc/42/28/33/1423422833.db2.gz MOQOCTLRXGWXBT-OAHLLOKOSA-N 1 1 387.436 3.212 20 5 GGBDMO CCN1CCN([C@H]2CC[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)CC1 ZINC000155664634 1423475141 /nfs/dbraw/zinc/47/51/41/1423475141.db2.gz CSWKUPMKLRONSR-FQEVSTJZSA-N 1 1 391.515 3.158 20 5 GGBDMO CCN1CCN([C@H]2CC[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)CC1 ZINC000155664634 1423475142 /nfs/dbraw/zinc/47/51/42/1423475142.db2.gz CSWKUPMKLRONSR-FQEVSTJZSA-N 1 1 391.515 3.158 20 5 GGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC[C@@H]21 ZINC000155706267 1423496757 /nfs/dbraw/zinc/49/67/57/1423496757.db2.gz HCOGSXYSBPZVQE-PXNSSMCTSA-N 1 1 389.499 3.097 20 5 GGBDMO COc1cc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179938685 1429652835 /nfs/dbraw/zinc/65/28/35/1429652835.db2.gz HTELMMWOPUJCRQ-ZDUSSCGKSA-N 1 1 387.427 3.021 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155950627 1423607012 /nfs/dbraw/zinc/60/70/12/1423607012.db2.gz PYBGGLFBANRBTL-HXUWFJFHSA-N 1 1 383.448 3.115 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](Cc3ccccc3)[C@H](CO)C3CC3)n2)cc1 ZINC000155987776 1423622317 /nfs/dbraw/zinc/62/23/17/1423622317.db2.gz QFFZYJUNEJWYRS-LJQANCHMSA-N 1 1 394.431 3.418 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](Cc3ccccc3)[C@H](CO)C3CC3)n2)cc1 ZINC000155987776 1423622332 /nfs/dbraw/zinc/62/23/32/1423622332.db2.gz QFFZYJUNEJWYRS-LJQANCHMSA-N 1 1 394.431 3.418 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c2c(c1)COCO2 ZINC000156022303 1423637587 /nfs/dbraw/zinc/63/75/87/1423637587.db2.gz LJXCQWUWXKHDOZ-HXUWFJFHSA-N 1 1 384.432 3.234 20 5 GGBDMO CCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000156063882 1423657478 /nfs/dbraw/zinc/65/74/78/1423657478.db2.gz LYLPAEPBAZFQIX-GOSISDBHSA-N 1 1 399.495 3.154 20 5 GGBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000179953348 1429660517 /nfs/dbraw/zinc/66/05/17/1429660517.db2.gz JFBGROMKDJCHHX-GFCCVEGCSA-N 1 1 391.399 3.431 20 5 GGBDMO Cc1ccc(N2CCC(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)CC2)[nH+]c1 ZINC000179963479 1429665511 /nfs/dbraw/zinc/66/55/11/1429665511.db2.gz MXCLZRIDQDCDGV-UHFFFAOYSA-N 1 1 380.408 3.030 20 5 GGBDMO COC(=O)CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000179986142 1429675533 /nfs/dbraw/zinc/67/55/33/1429675533.db2.gz FDZVUSLPHYKNDJ-UHFFFAOYSA-N 1 1 388.420 3.399 20 5 GGBDMO COC(=O)CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCOCC1 ZINC000179986752 1429676904 /nfs/dbraw/zinc/67/69/04/1429676904.db2.gz YURXLHQJWIMBIL-UHFFFAOYSA-N 1 1 388.420 3.399 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179986206 1429676926 /nfs/dbraw/zinc/67/69/26/1429676926.db2.gz NYDVBQJRLHZAGK-UHFFFAOYSA-N 1 1 391.374 3.489 20 5 GGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000157348023 1423990985 /nfs/dbraw/zinc/99/09/85/1423990985.db2.gz AYCKNDKHPKPWEX-HNNXBMFYSA-N 1 1 395.525 3.184 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000157651707 1424058025 /nfs/dbraw/zinc/05/80/25/1424058025.db2.gz MXWWIBHUXHHVLR-KRWDZBQOSA-N 1 1 389.496 3.477 20 5 GGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000157693718 1424066001 /nfs/dbraw/zinc/06/60/01/1424066001.db2.gz SXWBACVEFZEDKI-CTNGQTDRSA-N 1 1 386.448 3.188 20 5 GGBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000157693718 1424066007 /nfs/dbraw/zinc/06/60/07/1424066007.db2.gz SXWBACVEFZEDKI-CTNGQTDRSA-N 1 1 386.448 3.188 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000157822502 1424096371 /nfs/dbraw/zinc/09/63/71/1424096371.db2.gz NNLXLLIZVPZHKV-CJNGLKHVSA-N 1 1 383.876 3.115 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000157838502 1424100317 /nfs/dbraw/zinc/10/03/17/1424100317.db2.gz BZPFPJVORRBFDA-AWEZNQCLSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000157838502 1424100319 /nfs/dbraw/zinc/10/03/19/1424100319.db2.gz BZPFPJVORRBFDA-AWEZNQCLSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccccc1[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000157859129 1424105892 /nfs/dbraw/zinc/10/58/92/1424105892.db2.gz OHRAUNOHTDWOTQ-OAHLLOKOSA-N 1 1 399.447 3.430 20 5 GGBDMO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000158086242 1424162163 /nfs/dbraw/zinc/16/21/63/1424162163.db2.gz TYUSENIKIRCXJL-AWEZNQCLSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000158086242 1424162168 /nfs/dbraw/zinc/16/21/68/1424162168.db2.gz TYUSENIKIRCXJL-AWEZNQCLSA-N 1 1 385.420 3.040 20 5 GGBDMO Cn1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158427744 1424252183 /nfs/dbraw/zinc/25/21/83/1424252183.db2.gz ZPMNHCMIOWJNPW-UHFFFAOYSA-N 1 1 395.438 3.457 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000158437932 1424254251 /nfs/dbraw/zinc/25/42/51/1424254251.db2.gz JTOAMKORWWDITC-HZPDHXFCSA-N 1 1 383.448 3.481 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000158437646 1424254471 /nfs/dbraw/zinc/25/44/71/1424254471.db2.gz JTOAMKORWWDITC-IYBDPMFKSA-N 1 1 383.448 3.481 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000158437646 1424254475 /nfs/dbraw/zinc/25/44/75/1424254475.db2.gz JTOAMKORWWDITC-IYBDPMFKSA-N 1 1 383.448 3.481 20 5 GGBDMO CCC[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158489279 1424270483 /nfs/dbraw/zinc/27/04/83/1424270483.db2.gz RWYYTSHIMNTVRN-FQEVSTJZSA-N 1 1 383.496 3.373 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158686273 1424319714 /nfs/dbraw/zinc/31/97/14/1424319714.db2.gz QVHBYGLRRFGPDO-QFIPXVFZSA-N 1 1 395.459 3.406 20 5 GGBDMO CCC[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000159171298 1424434324 /nfs/dbraw/zinc/43/43/24/1424434324.db2.gz WVPLUFSDHSGWDO-HXUWFJFHSA-N 1 1 383.496 3.373 20 5 GGBDMO C[C@@H](O)C[N@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000159500908 1424508172 /nfs/dbraw/zinc/50/81/72/1424508172.db2.gz VUNRAIBAIHVSES-PXAZEXFGSA-N 1 1 377.828 3.241 20 5 GGBDMO C[C@@H](O)C[N@@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000159500908 1424508190 /nfs/dbraw/zinc/50/81/90/1424508190.db2.gz VUNRAIBAIHVSES-PXAZEXFGSA-N 1 1 377.828 3.241 20 5 GGBDMO CCC[C@@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC[N@H+]1CCOC ZINC000159766245 1424531936 /nfs/dbraw/zinc/53/19/36/1424531936.db2.gz JMFVJPCARRLJDY-OAHLLOKOSA-N 1 1 394.497 3.262 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000159777001 1424533564 /nfs/dbraw/zinc/53/35/64/1424533564.db2.gz NOZVQFBKGISPDR-NRFANRHFSA-N 1 1 375.428 3.404 20 5 GGBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000159860755 1424544760 /nfs/dbraw/zinc/54/47/60/1424544760.db2.gz SLZUSSGTDCCDHB-UHFFFAOYSA-N 1 1 376.800 3.001 20 5 GGBDMO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161011932 1424652082 /nfs/dbraw/zinc/65/20/82/1424652082.db2.gz QBKAWVRLZNBKDZ-OAQYLSRUSA-N 1 1 396.491 3.443 20 5 GGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000161238926 1424668776 /nfs/dbraw/zinc/66/87/76/1424668776.db2.gz KHLBTKMYKVKKAS-UHFFFAOYSA-N 1 1 386.477 3.373 20 5 GGBDMO CCN1CC[NH+](Cc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)cc2)CC1 ZINC000161494333 1424695743 /nfs/dbraw/zinc/69/57/43/1424695743.db2.gz BONPRRKMNRKYQT-UHFFFAOYSA-N 1 1 396.491 3.222 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000161869458 1424783622 /nfs/dbraw/zinc/78/36/22/1424783622.db2.gz BSNQNFUSKKRTJR-MRXNPFEDSA-N 1 1 391.468 3.287 20 5 GGBDMO O=C(c1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000161926717 1424799356 /nfs/dbraw/zinc/79/93/56/1424799356.db2.gz IBHGVUMSFZXJIE-OXQOHEQNSA-N 1 1 398.507 3.284 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000162094845 1424815652 /nfs/dbraw/zinc/81/56/52/1424815652.db2.gz GQRBJPGOKYNIPR-MRXNPFEDSA-N 1 1 391.468 3.287 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000162721257 1424885351 /nfs/dbraw/zinc/88/53/51/1424885351.db2.gz HVUBSBBUQOQFQW-UHFFFAOYSA-N 1 1 384.436 3.057 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)nc(C)[nH+]1 ZINC000163222367 1424961454 /nfs/dbraw/zinc/96/14/54/1424961454.db2.gz WDWBEUUTFNEFHV-UHFFFAOYSA-N 1 1 384.440 3.101 20 5 GGBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000163457893 1425002549 /nfs/dbraw/zinc/00/25/49/1425002549.db2.gz BPDLSZQETNTRSY-UHFFFAOYSA-N 1 1 385.468 3.023 20 5 GGBDMO Cc1ccc([C@@H](C)[NH2+]CC2CCN(CC(=O)NC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000163514142 1425010646 /nfs/dbraw/zinc/01/06/46/1425010646.db2.gz TYWOAVRUDFNWPP-MRXNPFEDSA-N 1 1 390.528 3.181 20 5 GGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000163565345 1425018577 /nfs/dbraw/zinc/01/85/77/1425018577.db2.gz JSWNKIMHCFMCDW-FZMZJTMJSA-N 1 1 384.383 3.144 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc2c(c1)OCO2 ZINC000164384372 1425105899 /nfs/dbraw/zinc/10/58/99/1425105899.db2.gz FWMRNINHWMHVBR-UHFFFAOYSA-N 1 1 385.420 3.483 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1)C(=O)OC(C)(C)C ZINC000170903461 1425386637 /nfs/dbraw/zinc/38/66/37/1425386637.db2.gz NYMTYZMQDIWUDT-AWEZNQCLSA-N 1 1 389.456 3.091 20 5 GGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(N2CCCC2=O)c1 ZINC000171128668 1425495837 /nfs/dbraw/zinc/49/58/37/1425495837.db2.gz PUSIZAWYPYVYPJ-CQSZACIVSA-N 1 1 397.431 3.439 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171353707 1425634797 /nfs/dbraw/zinc/63/47/97/1425634797.db2.gz OXJIMJLNKAIYMJ-LJQANCHMSA-N 1 1 397.475 3.045 20 5 GGBDMO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000171399812 1425662111 /nfs/dbraw/zinc/66/21/11/1425662111.db2.gz YADVTJZHYRMJPH-AWEZNQCLSA-N 1 1 385.468 3.185 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171506572 1425707897 /nfs/dbraw/zinc/70/78/97/1425707897.db2.gz SORHCMKSFACLMA-QGZVFWFLSA-N 1 1 398.463 3.290 20 5 GGBDMO CC(C)CCOC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000171758424 1425813243 /nfs/dbraw/zinc/81/32/43/1425813243.db2.gz NMWFQXDVUPWHRS-IBGZPJMESA-N 1 1 375.469 3.227 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000171979647 1425866689 /nfs/dbraw/zinc/86/66/89/1425866689.db2.gz ZOYZWLRKWSRHKS-UHFFFAOYSA-N 1 1 399.495 3.365 20 5 GGBDMO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)no1 ZINC000172018364 1425875196 /nfs/dbraw/zinc/87/51/96/1425875196.db2.gz JNUMEQYWCLVXGE-UHFFFAOYSA-N 1 1 378.816 3.395 20 5 GGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1C(F)(F)F ZINC000172096777 1425895596 /nfs/dbraw/zinc/89/55/96/1425895596.db2.gz UDGLBXFAJBZQMD-AWEZNQCLSA-N 1 1 384.354 3.485 20 5 GGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1C(F)(F)F ZINC000172096777 1425895598 /nfs/dbraw/zinc/89/55/98/1425895598.db2.gz UDGLBXFAJBZQMD-AWEZNQCLSA-N 1 1 384.354 3.485 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000172199625 1425943836 /nfs/dbraw/zinc/94/38/36/1425943836.db2.gz FFBFLIJLYIPBHM-LJQANCHMSA-N 1 1 398.463 3.067 20 5 GGBDMO C[C@@H](c1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000172249966 1425966633 /nfs/dbraw/zinc/96/66/33/1425966633.db2.gz VJVMGMKRYLNSRO-HNNXBMFYSA-N 1 1 384.436 3.310 20 5 GGBDMO Cc1ccc(NCCCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[nH+]c1 ZINC000172400968 1426027068 /nfs/dbraw/zinc/02/70/68/1426027068.db2.gz RLWXFJIXTZNJSV-UHFFFAOYSA-N 1 1 383.452 3.130 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000172425668 1426039225 /nfs/dbraw/zinc/03/92/25/1426039225.db2.gz UATGUBCKUPGRAJ-IYBDPMFKSA-N 1 1 395.459 3.407 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000172425668 1426039230 /nfs/dbraw/zinc/03/92/30/1426039230.db2.gz UATGUBCKUPGRAJ-IYBDPMFKSA-N 1 1 395.459 3.407 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000172694865 1426147266 /nfs/dbraw/zinc/14/72/66/1426147266.db2.gz QOEWGCNCACWDRV-KRWDZBQOSA-N 1 1 382.464 3.401 20 5 GGBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCCN(c3ccccc3)CC2)nc1-c1ccncc1 ZINC000172896916 1426244432 /nfs/dbraw/zinc/24/44/32/1426244432.db2.gz OCWBHDZULGEAEJ-UHFFFAOYSA-N 1 1 378.436 3.023 20 5 GGBDMO O=[N+]([O-])c1cn(C[N@H+]2CCCN(c3ccccc3)CC2)nc1-c1ccncc1 ZINC000172896916 1426244437 /nfs/dbraw/zinc/24/44/37/1426244437.db2.gz OCWBHDZULGEAEJ-UHFFFAOYSA-N 1 1 378.436 3.023 20 5 GGBDMO COc1ccc(CCC[N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000172897253 1426244461 /nfs/dbraw/zinc/24/44/61/1426244461.db2.gz LETTYRXAQYOADG-UHFFFAOYSA-N 1 1 381.436 3.384 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000173075101 1426332525 /nfs/dbraw/zinc/33/25/25/1426332525.db2.gz IGHWYRTULYXVSR-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO C[C@H](c1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000173089576 1426337793 /nfs/dbraw/zinc/33/77/93/1426337793.db2.gz KMJDUXMHDICZHY-MRXNPFEDSA-N 1 1 398.463 3.063 20 5 GGBDMO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000173181380 1426380519 /nfs/dbraw/zinc/38/05/19/1426380519.db2.gz WDFQGIZINCWYCU-CYBMUJFWSA-N 1 1 381.860 3.012 20 5 GGBDMO C[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000173186934 1426382819 /nfs/dbraw/zinc/38/28/19/1426382819.db2.gz TZKMZRKZVURCEB-UHFFFAOYSA-N 1 1 380.807 3.430 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000173186934 1426382827 /nfs/dbraw/zinc/38/28/27/1426382827.db2.gz TZKMZRKZVURCEB-UHFFFAOYSA-N 1 1 380.807 3.430 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000173388750 1426566887 /nfs/dbraw/zinc/56/68/87/1426566887.db2.gz CRCOKNBTVNVVFI-HXUWFJFHSA-N 1 1 383.448 3.214 20 5 GGBDMO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173402302 1426584912 /nfs/dbraw/zinc/58/49/12/1426584912.db2.gz YRMYTFZQYPPPFM-JXFKEZNVSA-N 1 1 396.491 3.143 20 5 GGBDMO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173402302 1426584928 /nfs/dbraw/zinc/58/49/28/1426584928.db2.gz YRMYTFZQYPPPFM-JXFKEZNVSA-N 1 1 396.491 3.143 20 5 GGBDMO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173402317 1426585596 /nfs/dbraw/zinc/58/55/96/1426585596.db2.gz YRMYTFZQYPPPFM-UZLBHIALSA-N 1 1 396.491 3.143 20 5 GGBDMO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173402317 1426585611 /nfs/dbraw/zinc/58/56/11/1426585611.db2.gz YRMYTFZQYPPPFM-UZLBHIALSA-N 1 1 396.491 3.143 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000173412921 1426595746 /nfs/dbraw/zinc/59/57/46/1426595746.db2.gz YEMLKYOGRSQTBB-FQEVSTJZSA-N 1 1 385.464 3.361 20 5 GGBDMO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173427070 1426608775 /nfs/dbraw/zinc/60/87/75/1426608775.db2.gz FFNZCCHMSSKFDZ-QGZVFWFLSA-N 1 1 396.491 3.271 20 5 GGBDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000173462849 1426636714 /nfs/dbraw/zinc/63/67/14/1426636714.db2.gz BBYYBOYVWAGNTM-HOTGVXAUSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000173462849 1426636725 /nfs/dbraw/zinc/63/67/25/1426636725.db2.gz BBYYBOYVWAGNTM-HOTGVXAUSA-N 1 1 383.452 3.120 20 5 GGBDMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462875 1426636950 /nfs/dbraw/zinc/63/69/50/1426636950.db2.gz SBTZKOIOMHXQBN-ZBFHGGJFSA-N 1 1 383.452 3.066 20 5 GGBDMO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462875 1426636956 /nfs/dbraw/zinc/63/69/56/1426636956.db2.gz SBTZKOIOMHXQBN-ZBFHGGJFSA-N 1 1 383.452 3.066 20 5 GGBDMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462897 1426637256 /nfs/dbraw/zinc/63/72/56/1426637256.db2.gz SBTZKOIOMHXQBN-HOCLYGCPSA-N 1 1 383.452 3.066 20 5 GGBDMO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462897 1426637262 /nfs/dbraw/zinc/63/72/62/1426637262.db2.gz SBTZKOIOMHXQBN-HOCLYGCPSA-N 1 1 383.452 3.066 20 5 GGBDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173465844 1426639551 /nfs/dbraw/zinc/63/95/51/1426639551.db2.gz KGLAKKMNOMHJOR-HOTGVXAUSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173465844 1426639558 /nfs/dbraw/zinc/63/95/58/1426639558.db2.gz KGLAKKMNOMHJOR-HOTGVXAUSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173466206 1426641040 /nfs/dbraw/zinc/64/10/40/1426641040.db2.gz MFMCWBWORYDGMQ-CVEARBPZSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173466206 1426641045 /nfs/dbraw/zinc/64/10/45/1426641045.db2.gz MFMCWBWORYDGMQ-CVEARBPZSA-N 1 1 383.452 3.120 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)nc1 ZINC000173467391 1426642058 /nfs/dbraw/zinc/64/20/58/1426642058.db2.gz MVXGTGKRKNAIGV-HNNXBMFYSA-N 1 1 383.383 3.470 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)nc1 ZINC000173467391 1426642073 /nfs/dbraw/zinc/64/20/73/1426642073.db2.gz MVXGTGKRKNAIGV-HNNXBMFYSA-N 1 1 383.383 3.470 20 5 GGBDMO COC(=O)c1cc2cc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2o1 ZINC000173473098 1426647487 /nfs/dbraw/zinc/64/74/87/1426647487.db2.gz ROLXDYJSTDCIDL-HNNXBMFYSA-N 1 1 396.403 3.209 20 5 GGBDMO COc1ccc(OCC[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000173479248 1426653606 /nfs/dbraw/zinc/65/36/06/1426653606.db2.gz OGQYBKZBVLGYHV-UHFFFAOYSA-N 1 1 382.420 3.300 20 5 GGBDMO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000173520206 1426692803 /nfs/dbraw/zinc/69/28/03/1426692803.db2.gz PUEKQAXTRVONNE-KRWDZBQOSA-N 1 1 396.491 3.397 20 5 GGBDMO O=[N+]([O-])c1ccnn1CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000173553483 1426726161 /nfs/dbraw/zinc/72/61/61/1426726161.db2.gz FBSLUKQIVMFCHC-INIZCTEOSA-N 1 1 397.401 3.135 20 5 GGBDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173621533 1426800816 /nfs/dbraw/zinc/80/08/16/1426800816.db2.gz ZYGOHOBMFVCTKC-SJKOYZFVSA-N 1 1 398.385 3.397 20 5 GGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173649986 1426810129 /nfs/dbraw/zinc/81/01/29/1426810129.db2.gz KQKMUIZLVIKMLZ-WMZOPIPTSA-N 1 1 383.448 3.461 20 5 GGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173649986 1426810132 /nfs/dbraw/zinc/81/01/32/1426810132.db2.gz KQKMUIZLVIKMLZ-WMZOPIPTSA-N 1 1 383.448 3.461 20 5 GGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173651729 1426810888 /nfs/dbraw/zinc/81/08/88/1426810888.db2.gz MTKGJUNTXUAXAC-WMZOPIPTSA-N 1 1 383.448 3.461 20 5 GGBDMO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173708416 1426827719 /nfs/dbraw/zinc/82/77/19/1426827719.db2.gz ZZWBJIXRKVXJAD-QGZVFWFLSA-N 1 1 398.419 3.240 20 5 GGBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000173899564 1426885098 /nfs/dbraw/zinc/88/50/98/1426885098.db2.gz MAIPCPNCXFTMMN-FPOVZHCZSA-N 1 1 385.464 3.238 20 5 GGBDMO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2nc(C)c(C)s2)c([N+](=O)[O-])c1 ZINC000173961554 1426911592 /nfs/dbraw/zinc/91/15/92/1426911592.db2.gz ZTVHDHSGTKCYHJ-UHFFFAOYSA-N 1 1 378.454 3.140 20 5 GGBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000173972318 1426917461 /nfs/dbraw/zinc/91/74/61/1426917461.db2.gz FDUSETFOYNLZAA-UHFFFAOYSA-N 1 1 397.479 3.167 20 5 GGBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000173974037 1426918850 /nfs/dbraw/zinc/91/88/50/1426918850.db2.gz WMFMYDCOGVSJNN-IBGZPJMESA-N 1 1 396.491 3.377 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000173974037 1426918856 /nfs/dbraw/zinc/91/88/56/1426918856.db2.gz WMFMYDCOGVSJNN-IBGZPJMESA-N 1 1 396.491 3.377 20 5 GGBDMO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173974986 1426920154 /nfs/dbraw/zinc/92/01/54/1426920154.db2.gz DWZZOYMGOQHKLU-LJQANCHMSA-N 1 1 396.491 3.012 20 5 GGBDMO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174210458 1427052680 /nfs/dbraw/zinc/05/26/80/1427052680.db2.gz JXWNELXBIDKZKU-FQEVSTJZSA-N 1 1 382.464 3.401 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000174601907 1427252691 /nfs/dbraw/zinc/25/26/91/1427252691.db2.gz LUEVXJWXRPDPKD-HNNXBMFYSA-N 1 1 384.436 3.158 20 5 GGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000174653975 1427291026 /nfs/dbraw/zinc/29/10/26/1427291026.db2.gz COZYCCXGBGEBDI-UHFFFAOYSA-N 1 1 384.480 3.008 20 5 GGBDMO CN(C(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000174677962 1427305265 /nfs/dbraw/zinc/30/52/65/1427305265.db2.gz MWIDROBJGPIFRV-FQEVSTJZSA-N 1 1 382.464 3.158 20 5 GGBDMO CN(C(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000174677947 1427305544 /nfs/dbraw/zinc/30/55/44/1427305544.db2.gz MWIDROBJGPIFRV-HXUWFJFHSA-N 1 1 382.464 3.158 20 5 GGBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[N@@H+]1CC[C@H](CO)C1 ZINC000174700342 1427317593 /nfs/dbraw/zinc/31/75/93/1427317593.db2.gz KXXITNXXKRWTFC-UGSOOPFHSA-N 1 1 389.839 3.242 20 5 GGBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[N@H+]1CC[C@H](CO)C1 ZINC000174700342 1427317601 /nfs/dbraw/zinc/31/76/01/1427317601.db2.gz KXXITNXXKRWTFC-UGSOOPFHSA-N 1 1 389.839 3.242 20 5 GGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)cc1 ZINC000174802677 1427377741 /nfs/dbraw/zinc/37/77/41/1427377741.db2.gz QMIJYKGUHRRNKI-IBGZPJMESA-N 1 1 378.375 3.450 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000174962434 1427468465 /nfs/dbraw/zinc/46/84/65/1427468465.db2.gz BBSOHGQOJLZVDV-KBPBESRZSA-N 1 1 382.892 3.239 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000174967174 1427471506 /nfs/dbraw/zinc/47/15/06/1427471506.db2.gz SDKXUEPFOZCAQM-LJQANCHMSA-N 1 1 396.491 3.377 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000175092028 1427541565 /nfs/dbraw/zinc/54/15/65/1427541565.db2.gz HFYMKSVGEYPLQM-UHFFFAOYSA-N 1 1 375.469 3.218 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000175099674 1427545768 /nfs/dbraw/zinc/54/57/68/1427545768.db2.gz UBMRRLGQXVHAJI-INIZCTEOSA-N 1 1 389.496 3.464 20 5 GGBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000175113667 1427552934 /nfs/dbraw/zinc/55/29/34/1427552934.db2.gz OBGKATCEFBDEOK-UHFFFAOYSA-N 1 1 376.800 3.001 20 5 GGBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000175114265 1427553964 /nfs/dbraw/zinc/55/39/64/1427553964.db2.gz PCCVBDZFMIBXPE-UHFFFAOYSA-N 1 1 376.800 3.001 20 5 GGBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000175116411 1427554785 /nfs/dbraw/zinc/55/47/85/1427554785.db2.gz UMBGLIOZWPVBJX-UHFFFAOYSA-N 1 1 376.800 3.001 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175169606 1427579852 /nfs/dbraw/zinc/57/98/52/1427579852.db2.gz WQFCIAXDNCHBIZ-SFHVURJKSA-N 1 1 382.464 3.258 20 5 GGBDMO C[C@H]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000175172253 1427581350 /nfs/dbraw/zinc/58/13/50/1427581350.db2.gz KODJADVFATWSMB-KRWDZBQOSA-N 1 1 382.464 3.401 20 5 GGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000175202631 1427597521 /nfs/dbraw/zinc/59/75/21/1427597521.db2.gz UJBBMHBOUHPJPK-GOSISDBHSA-N 1 1 376.501 3.433 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175262954 1427633311 /nfs/dbraw/zinc/63/33/11/1427633311.db2.gz UQPNUKGLCDRPOE-IBGZPJMESA-N 1 1 382.464 3.258 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000175273166 1427639893 /nfs/dbraw/zinc/63/98/93/1427639893.db2.gz VJXWYGCCCGTCFE-IBGZPJMESA-N 1 1 396.491 3.377 20 5 GGBDMO CC(C)(NC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000175439586 1427755996 /nfs/dbraw/zinc/75/59/96/1427755996.db2.gz HDNOYZDLMUNMQJ-UHFFFAOYSA-N 1 1 388.493 3.249 20 5 GGBDMO CC(C)(NC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000175439586 1427755997 /nfs/dbraw/zinc/75/59/97/1427755997.db2.gz HDNOYZDLMUNMQJ-UHFFFAOYSA-N 1 1 388.493 3.249 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000175459767 1427766816 /nfs/dbraw/zinc/76/68/16/1427766816.db2.gz HJXMIWCPUWMKSM-KKSFZXQISA-N 1 1 397.475 3.278 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000175774684 1427888439 /nfs/dbraw/zinc/88/84/39/1427888439.db2.gz FNNPELBVTXXLQS-MRXNPFEDSA-N 1 1 382.464 3.322 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000175801345 1427898118 /nfs/dbraw/zinc/89/81/18/1427898118.db2.gz FTVBCXCNXWIZRG-HXUWFJFHSA-N 1 1 396.491 3.301 20 5 GGBDMO CN(C(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000175845175 1427926670 /nfs/dbraw/zinc/92/66/70/1427926670.db2.gz CWEDFMASNMFSEW-IRXDYDNUSA-N 1 1 389.477 3.207 20 5 GGBDMO CN(C(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000175845175 1427926672 /nfs/dbraw/zinc/92/66/72/1427926672.db2.gz CWEDFMASNMFSEW-IRXDYDNUSA-N 1 1 389.477 3.207 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000175936533 1427983336 /nfs/dbraw/zinc/98/33/36/1427983336.db2.gz YPSHYPDURHXPFH-AWEZNQCLSA-N 1 1 394.435 3.353 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176108393 1428087491 /nfs/dbraw/zinc/08/74/91/1428087491.db2.gz VAWCBNRQKWZTMR-PKOBYXMFSA-N 1 1 396.491 3.200 20 5 GGBDMO COc1cc(C[N@@H+](C)[C@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180240790 1429812486 /nfs/dbraw/zinc/81/24/86/1429812486.db2.gz UNXDKONCRHDJHQ-OAHLLOKOSA-N 1 1 376.400 3.086 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000180257928 1429817378 /nfs/dbraw/zinc/81/73/78/1429817378.db2.gz VHECWWOHRLXILW-CABCVRRESA-N 1 1 399.438 3.306 20 5 GGBDMO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180280261 1429823104 /nfs/dbraw/zinc/82/31/04/1429823104.db2.gz DHVRTEAAFKPXOL-ZFWWWQNUSA-N 1 1 399.438 3.163 20 5 GGBDMO CN(C)C(=O)CC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000180325129 1429836348 /nfs/dbraw/zinc/83/63/48/1429836348.db2.gz ROKZHPSBLZAMTF-UHFFFAOYSA-N 1 1 388.493 3.409 20 5 GGBDMO Cn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC000180345134 1429841139 /nfs/dbraw/zinc/84/11/39/1429841139.db2.gz FTFSMERCWJVSHV-KRWDZBQOSA-N 1 1 378.436 3.077 20 5 GGBDMO COc1ccc([C@@H](C)C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000180399829 1429857352 /nfs/dbraw/zinc/85/73/52/1429857352.db2.gz WMYSFHKEBXLNOQ-INIZCTEOSA-N 1 1 383.448 3.165 20 5 GGBDMO CCCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000180399864 1429857563 /nfs/dbraw/zinc/85/75/63/1429857563.db2.gz TWYLIGUDPMJQCP-GFCCVEGCSA-N 1 1 377.470 3.468 20 5 GGBDMO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000180447281 1429871526 /nfs/dbraw/zinc/87/15/26/1429871526.db2.gz IKBUSDZPTFVCER-JTQLQIEISA-N 1 1 378.772 3.446 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180516693 1429887395 /nfs/dbraw/zinc/88/73/95/1429887395.db2.gz PISNZKZCDMZTCI-UHFFFAOYSA-N 1 1 397.353 3.481 20 5 GGBDMO COc1cc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000180538789 1429893126 /nfs/dbraw/zinc/89/31/26/1429893126.db2.gz PPSINPLEMLWZSR-SFHVURJKSA-N 1 1 386.448 3.446 20 5 GGBDMO COc1cc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000180538767 1429893136 /nfs/dbraw/zinc/89/31/36/1429893136.db2.gz PPSINPLEMLWZSR-GOSISDBHSA-N 1 1 386.448 3.446 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCN(CC(F)F)CC3)o2)c1 ZINC000180576333 1429905919 /nfs/dbraw/zinc/90/59/19/1429905919.db2.gz YYKUBSWGUVVLTB-UHFFFAOYSA-N 1 1 380.395 3.065 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000180602694 1429926873 /nfs/dbraw/zinc/92/68/73/1429926873.db2.gz VETYGUUIMCHTLB-HOCLYGCPSA-N 1 1 376.409 3.293 20 5 GGBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000180722080 1430001137 /nfs/dbraw/zinc/00/11/37/1430001137.db2.gz AXXRAGFUXZBHKD-INIZCTEOSA-N 1 1 395.525 3.182 20 5 GGBDMO Cn1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180780321 1430034292 /nfs/dbraw/zinc/03/42/92/1430034292.db2.gz AUXAHWMFURVTPJ-DYESRHJHSA-N 1 1 395.507 3.444 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180850582 1430069281 /nfs/dbraw/zinc/06/92/81/1430069281.db2.gz FWJSPOOFNWWFMJ-NVXWUHKLSA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000180851313 1430070172 /nfs/dbraw/zinc/07/01/72/1430070172.db2.gz DLSBHCXTPAIYDS-MAUKXSAKSA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000180851360 1430070204 /nfs/dbraw/zinc/07/02/04/1430070204.db2.gz DLSBHCXTPAIYDS-QAPCUYQASA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)c([N+](=O)[O-])cc1OC ZINC000180890110 1430091891 /nfs/dbraw/zinc/09/18/91/1430091891.db2.gz CXXILIIDACMCSV-UHFFFAOYSA-N 1 1 375.425 3.474 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180930375 1430120518 /nfs/dbraw/zinc/12/05/18/1430120518.db2.gz PRWCHDKSLXZJLE-OAHLLOKOSA-N 1 1 382.464 3.481 20 5 GGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)C1 ZINC000180929278 1430120788 /nfs/dbraw/zinc/12/07/88/1430120788.db2.gz AJPJFGWAHMDQGD-OAHLLOKOSA-N 1 1 382.464 3.339 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000180947392 1430129243 /nfs/dbraw/zinc/12/92/43/1430129243.db2.gz KHKCPWSSWPCGJP-QGZVFWFLSA-N 1 1 387.461 3.077 20 5 GGBDMO C[C@H](CCO)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000180977546 1430148308 /nfs/dbraw/zinc/14/83/08/1430148308.db2.gz LYEOMJFFVCWIKE-OAHLLOKOSA-N 1 1 382.420 3.418 20 5 GGBDMO C[C@H](CCO)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000180977546 1430148309 /nfs/dbraw/zinc/14/83/09/1430148309.db2.gz LYEOMJFFVCWIKE-OAHLLOKOSA-N 1 1 382.420 3.418 20 5 GGBDMO C[C@@H](CCO)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000180979462 1430148927 /nfs/dbraw/zinc/14/89/27/1430148927.db2.gz OLRYKQPASSANGI-AWEZNQCLSA-N 1 1 391.855 3.460 20 5 GGBDMO C[C@@H](CCO)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000180979462 1430148934 /nfs/dbraw/zinc/14/89/34/1430148934.db2.gz OLRYKQPASSANGI-AWEZNQCLSA-N 1 1 391.855 3.460 20 5 GGBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181022066 1430171054 /nfs/dbraw/zinc/17/10/54/1430171054.db2.gz LUPCMEUKKQYWNE-UHFFFAOYSA-N 1 1 382.464 3.161 20 5 GGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000181109315 1430213920 /nfs/dbraw/zinc/21/39/20/1430213920.db2.gz HDRXYNLRELOYQI-WBVHZDCISA-N 1 1 382.464 3.302 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000181411818 1430291305 /nfs/dbraw/zinc/29/13/05/1430291305.db2.gz RUDHRPAKWHPCEW-BVSLBCMMSA-N 1 1 387.524 3.273 20 5 GGBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)c(F)c1 ZINC000181412678 1430291564 /nfs/dbraw/zinc/29/15/64/1430291564.db2.gz OUVOGWKHPQCBJS-INIZCTEOSA-N 1 1 399.781 3.442 20 5 GGBDMO COC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(F)c(F)c1 ZINC000181427695 1430296324 /nfs/dbraw/zinc/29/63/24/1430296324.db2.gz VORJHEIIGGLAIR-QGZVFWFLSA-N 1 1 379.363 3.097 20 5 GGBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(F)c(F)c1 ZINC000181427747 1430296463 /nfs/dbraw/zinc/29/64/63/1430296463.db2.gz BLQAEHONWFQXMR-QGZVFWFLSA-N 1 1 379.363 3.097 20 5 GGBDMO C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181457436 1430304012 /nfs/dbraw/zinc/30/40/12/1430304012.db2.gz NBGFRERBMSWXII-HUUCEWRRSA-N 1 1 384.480 3.388 20 5 GGBDMO C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181457475 1430304182 /nfs/dbraw/zinc/30/41/82/1430304182.db2.gz NBGFRERBMSWXII-CABCVRRESA-N 1 1 384.480 3.388 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181526678 1430315385 /nfs/dbraw/zinc/31/53/85/1430315385.db2.gz RPFAYXUHZQDSDA-IBGZPJMESA-N 1 1 383.448 3.175 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181526678 1430315390 /nfs/dbraw/zinc/31/53/90/1430315390.db2.gz RPFAYXUHZQDSDA-IBGZPJMESA-N 1 1 383.448 3.175 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181526663 1430315477 /nfs/dbraw/zinc/31/54/77/1430315477.db2.gz RPFAYXUHZQDSDA-LJQANCHMSA-N 1 1 383.448 3.175 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181526663 1430315479 /nfs/dbraw/zinc/31/54/79/1430315479.db2.gz RPFAYXUHZQDSDA-LJQANCHMSA-N 1 1 383.448 3.175 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181559312 1430320496 /nfs/dbraw/zinc/32/04/96/1430320496.db2.gz OBDLHTNIBSINPM-IBGZPJMESA-N 1 1 383.448 3.175 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181559312 1430320498 /nfs/dbraw/zinc/32/04/98/1430320498.db2.gz OBDLHTNIBSINPM-IBGZPJMESA-N 1 1 383.448 3.175 20 5 GGBDMO C[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](c2ccccc2)C1 ZINC000181627656 1430330243 /nfs/dbraw/zinc/33/02/43/1430330243.db2.gz GJHVNALGMIVUOM-SFHVURJKSA-N 1 1 379.420 3.134 20 5 GGBDMO C[N@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](c2ccccc2)C1 ZINC000181627656 1430330248 /nfs/dbraw/zinc/33/02/48/1430330248.db2.gz GJHVNALGMIVUOM-SFHVURJKSA-N 1 1 379.420 3.134 20 5 GGBDMO C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181637255 1430332464 /nfs/dbraw/zinc/33/24/64/1430332464.db2.gz XFUSCPLMQBOQLV-JKSUJKDBSA-N 1 1 375.469 3.133 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181642916 1430333733 /nfs/dbraw/zinc/33/37/33/1430333733.db2.gz RAFDKSAHVMBNDP-KGLIPLIRSA-N 1 1 390.440 3.194 20 5 GGBDMO C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181647453 1430334780 /nfs/dbraw/zinc/33/47/80/1430334780.db2.gz RVKSAHNHUWFJPH-WBVHZDCISA-N 1 1 397.479 3.163 20 5 GGBDMO C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181647415 1430334801 /nfs/dbraw/zinc/33/48/01/1430334801.db2.gz RVKSAHNHUWFJPH-NVXWUHKLSA-N 1 1 397.479 3.163 20 5 GGBDMO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181653792 1430335649 /nfs/dbraw/zinc/33/56/49/1430335649.db2.gz WHDMYCGIFAXGNK-CABCVRRESA-N 1 1 377.510 3.456 20 5 GGBDMO C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181655039 1430336018 /nfs/dbraw/zinc/33/60/18/1430336018.db2.gz DTWZJWCXVUPQSE-CVEARBPZSA-N 1 1 397.479 3.163 20 5 GGBDMO O=C(CC[N@@H+]1CCC[C@H]1CN1CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181679431 1430340463 /nfs/dbraw/zinc/34/04/63/1430340463.db2.gz ZENOAYAUDBRSLT-INIZCTEOSA-N 1 1 378.448 3.013 20 5 GGBDMO O=C(CC[N@H+]1CCC[C@H]1CN1CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181679431 1430340464 /nfs/dbraw/zinc/34/04/64/1430340464.db2.gz ZENOAYAUDBRSLT-INIZCTEOSA-N 1 1 378.448 3.013 20 5 GGBDMO CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000181834262 1430369643 /nfs/dbraw/zinc/36/96/43/1430369643.db2.gz SXPFFWOYIBHONP-LBPRGKRZSA-N 1 1 377.470 3.387 20 5 GGBDMO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181839713 1430370622 /nfs/dbraw/zinc/37/06/22/1430370622.db2.gz XGNVELKQQSBMSZ-KRWDZBQOSA-N 1 1 385.420 3.206 20 5 GGBDMO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181839735 1430370692 /nfs/dbraw/zinc/37/06/92/1430370692.db2.gz XGNVELKQQSBMSZ-QGZVFWFLSA-N 1 1 385.420 3.206 20 5 GGBDMO Cc1ccc([C@@H]2CSCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000181890976 1430378622 /nfs/dbraw/zinc/37/86/22/1430378622.db2.gz IRSPJLDXGNEJQX-HKUYNNGSSA-N 1 1 388.489 3.433 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000181895507 1430379584 /nfs/dbraw/zinc/37/95/84/1430379584.db2.gz ZCRALCZFUKFUFW-SFHVURJKSA-N 1 1 398.463 3.100 20 5 GGBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181897777 1430379871 /nfs/dbraw/zinc/37/98/71/1430379871.db2.gz ZNNZSUUBCIEURQ-ZBFHGGJFSA-N 1 1 392.452 3.386 20 5 GGBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181897777 1430379872 /nfs/dbraw/zinc/37/98/72/1430379872.db2.gz ZNNZSUUBCIEURQ-ZBFHGGJFSA-N 1 1 392.452 3.386 20 5 GGBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181897817 1430380017 /nfs/dbraw/zinc/38/00/17/1430380017.db2.gz ZNNZSUUBCIEURQ-GDBMZVCRSA-N 1 1 392.452 3.386 20 5 GGBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181897817 1430380021 /nfs/dbraw/zinc/38/00/21/1430380021.db2.gz ZNNZSUUBCIEURQ-GDBMZVCRSA-N 1 1 392.452 3.386 20 5 GGBDMO CC[C@@H](Cc1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181913179 1430382450 /nfs/dbraw/zinc/38/24/50/1430382450.db2.gz OGIJAUNGVUGVJO-KRWDZBQOSA-N 1 1 376.478 3.322 20 5 GGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181913179 1430382454 /nfs/dbraw/zinc/38/24/54/1430382454.db2.gz OGIJAUNGVUGVJO-KRWDZBQOSA-N 1 1 376.478 3.322 20 5 GGBDMO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000182006525 1430395113 /nfs/dbraw/zinc/39/51/13/1430395113.db2.gz YNILKUQNZGAHHS-CQSZACIVSA-N 1 1 390.827 3.116 20 5 GGBDMO COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000182006525 1430395116 /nfs/dbraw/zinc/39/51/16/1430395116.db2.gz YNILKUQNZGAHHS-CQSZACIVSA-N 1 1 390.827 3.116 20 5 GGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000182062414 1430404088 /nfs/dbraw/zinc/40/40/88/1430404088.db2.gz MMQZNUGRSURUSP-OAHLLOKOSA-N 1 1 380.448 3.255 20 5 GGBDMO COC(=O)[C@H](C)C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000182070634 1430405672 /nfs/dbraw/zinc/40/56/72/1430405672.db2.gz OYJUJYXXIOXLHG-GFCCVEGCSA-N 1 1 375.450 3.492 20 5 GGBDMO COC(=O)[C@H](C)C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000182070634 1430405676 /nfs/dbraw/zinc/40/56/76/1430405676.db2.gz OYJUJYXXIOXLHG-GFCCVEGCSA-N 1 1 375.450 3.492 20 5 GGBDMO Cn1cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182094046 1430410276 /nfs/dbraw/zinc/41/02/76/1430410276.db2.gz QIIVYQGBNKXIRA-INIZCTEOSA-N 1 1 394.479 3.184 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000182178848 1430425067 /nfs/dbraw/zinc/42/50/67/1430425067.db2.gz MWHXDWKPTOTUMX-HOTGVXAUSA-N 1 1 392.477 3.077 20 5 GGBDMO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000182265244 1430439699 /nfs/dbraw/zinc/43/96/99/1430439699.db2.gz OUYVBXJUZCSAOD-QGZVFWFLSA-N 1 1 397.431 3.060 20 5 GGBDMO CCOc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000182267562 1430440022 /nfs/dbraw/zinc/44/00/22/1430440022.db2.gz YOOBRHIHFAUVMQ-UZLBHIALSA-N 1 1 399.491 3.411 20 5 GGBDMO CCOc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000182267562 1430440025 /nfs/dbraw/zinc/44/00/25/1430440025.db2.gz YOOBRHIHFAUVMQ-UZLBHIALSA-N 1 1 399.491 3.411 20 5 GGBDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182463196 1430471805 /nfs/dbraw/zinc/47/18/05/1430471805.db2.gz WMXYNZFYQJYNKX-RISCZKNCSA-N 1 1 376.413 3.276 20 5 GGBDMO CCC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@H+]1Cc1ccccc1 ZINC000182493518 1430477182 /nfs/dbraw/zinc/47/71/82/1430477182.db2.gz SPQQSUBJQQUFDT-IBGZPJMESA-N 1 1 399.495 3.003 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182548823 1430489149 /nfs/dbraw/zinc/48/91/49/1430489149.db2.gz VPTNIECTCSTTMJ-GJZGRUSLSA-N 1 1 390.484 3.056 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000182696296 1430519852 /nfs/dbraw/zinc/51/98/52/1430519852.db2.gz AJQNZHYMISQTDP-CQSZACIVSA-N 1 1 389.477 3.394 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000182696296 1430519862 /nfs/dbraw/zinc/51/98/62/1430519862.db2.gz AJQNZHYMISQTDP-CQSZACIVSA-N 1 1 389.477 3.394 20 5 GGBDMO Cc1cc(NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000182764138 1430536178 /nfs/dbraw/zinc/53/61/78/1430536178.db2.gz ZQSOFVBMAXMHID-HLLBOEOZSA-N 1 1 376.457 3.009 20 5 GGBDMO Cc1cc(NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000182764138 1430536181 /nfs/dbraw/zinc/53/61/81/1430536181.db2.gz ZQSOFVBMAXMHID-HLLBOEOZSA-N 1 1 376.457 3.009 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182867386 1430557066 /nfs/dbraw/zinc/55/70/66/1430557066.db2.gz WTBNVXYQYYXQHA-UONOGXRCSA-N 1 1 376.457 3.378 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182867401 1430557417 /nfs/dbraw/zinc/55/74/17/1430557417.db2.gz WTBNVXYQYYXQHA-ZIAGYGMSSA-N 1 1 376.457 3.378 20 5 GGBDMO Cc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000182876071 1430559342 /nfs/dbraw/zinc/55/93/42/1430559342.db2.gz OIKVGFFNAJWQSA-LJQANCHMSA-N 1 1 398.463 3.182 20 5 GGBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183033478 1430597425 /nfs/dbraw/zinc/59/74/25/1430597425.db2.gz SPUXYZIGWOFTBO-GDBMZVCRSA-N 1 1 395.525 3.089 20 5 GGBDMO C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101258 1430612982 /nfs/dbraw/zinc/61/29/82/1430612982.db2.gz RSBNUFOFWSMULP-GJZGRUSLSA-N 1 1 375.469 3.204 20 5 GGBDMO C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101234 1430613096 /nfs/dbraw/zinc/61/30/96/1430613096.db2.gz RSBNUFOFWSMULP-HUUCEWRRSA-N 1 1 375.469 3.204 20 5 GGBDMO C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101216 1430613183 /nfs/dbraw/zinc/61/31/83/1430613183.db2.gz RSBNUFOFWSMULP-LSDHHAIUSA-N 1 1 375.469 3.204 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183211689 1430649658 /nfs/dbraw/zinc/64/96/58/1430649658.db2.gz HIXLVVZSMKSXOA-SYNHAJSKSA-N 1 1 383.448 3.286 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183211689 1430649665 /nfs/dbraw/zinc/64/96/65/1430649665.db2.gz HIXLVVZSMKSXOA-SYNHAJSKSA-N 1 1 383.448 3.286 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](Oc4cccc(F)c4)C3)o2)cc1 ZINC000183366758 1430691264 /nfs/dbraw/zinc/69/12/64/1430691264.db2.gz ILRPQRFPDDLVNF-KRWDZBQOSA-N 1 1 384.367 3.437 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](Oc4cccc(F)c4)C3)o2)cc1 ZINC000183366758 1430691272 /nfs/dbraw/zinc/69/12/72/1430691272.db2.gz ILRPQRFPDDLVNF-KRWDZBQOSA-N 1 1 384.367 3.437 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](Oc4cccc(F)c4)C3)n2)cc1 ZINC000183380105 1430695562 /nfs/dbraw/zinc/69/55/62/1430695562.db2.gz KWMPDITZLPHPCQ-KRWDZBQOSA-N 1 1 384.367 3.437 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](Oc4cccc(F)c4)C3)n2)cc1 ZINC000183380105 1430695568 /nfs/dbraw/zinc/69/55/68/1430695568.db2.gz KWMPDITZLPHPCQ-KRWDZBQOSA-N 1 1 384.367 3.437 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](Oc4cccc(F)c4)C3)n2)cc1 ZINC000183380085 1430695609 /nfs/dbraw/zinc/69/56/09/1430695609.db2.gz KWMPDITZLPHPCQ-QGZVFWFLSA-N 1 1 384.367 3.437 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](Oc4cccc(F)c4)C3)n2)cc1 ZINC000183380085 1430695615 /nfs/dbraw/zinc/69/56/15/1430695615.db2.gz KWMPDITZLPHPCQ-QGZVFWFLSA-N 1 1 384.367 3.437 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 ZINC000183535713 1430737113 /nfs/dbraw/zinc/73/71/13/1430737113.db2.gz WYIBJICOJORBKQ-ZBEGNZNMSA-N 1 1 390.465 3.436 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 ZINC000183535745 1430737141 /nfs/dbraw/zinc/73/71/41/1430737141.db2.gz WYIBJICOJORBKQ-BZNIZROVSA-N 1 1 390.465 3.436 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1C ZINC000183554818 1430741359 /nfs/dbraw/zinc/74/13/59/1430741359.db2.gz MPXCHCOLIFWIOH-FQEVSTJZSA-N 1 1 385.464 3.075 20 5 GGBDMO COc1cc(C[NH2+][C@H](CO)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183658327 1430765246 /nfs/dbraw/zinc/76/52/46/1430765246.db2.gz OULKSHMKUPODCH-CQSZACIVSA-N 1 1 382.363 3.071 20 5 GGBDMO CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183763206 1430789167 /nfs/dbraw/zinc/78/91/67/1430789167.db2.gz KZEMMOKEUDWQHT-SFHVURJKSA-N 1 1 382.464 3.130 20 5 GGBDMO CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183768974 1430789871 /nfs/dbraw/zinc/78/98/71/1430789871.db2.gz QLKARMXTEFJOPT-OAQYLSRUSA-N 1 1 396.491 3.154 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183932703 1430815020 /nfs/dbraw/zinc/81/50/20/1430815020.db2.gz VPEBQOUUIPAVRK-LBPRGKRZSA-N 1 1 378.454 3.124 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183966057 1430819841 /nfs/dbraw/zinc/81/98/41/1430819841.db2.gz RYYAOFUSFSOQEG-NEPJUHHUSA-N 1 1 378.454 3.122 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183966057 1430819842 /nfs/dbraw/zinc/81/98/42/1430819842.db2.gz RYYAOFUSFSOQEG-NEPJUHHUSA-N 1 1 378.454 3.122 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H](C)c1nccs1 ZINC000183967591 1430820145 /nfs/dbraw/zinc/82/01/45/1430820145.db2.gz KVQAITDXEWGORL-LBPRGKRZSA-N 1 1 378.454 3.124 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000184004909 1430827478 /nfs/dbraw/zinc/82/74/78/1430827478.db2.gz YCFGNFRABQJURG-VCBZYWHSSA-N 1 1 395.475 3.091 20 5 GGBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184199037 1430855339 /nfs/dbraw/zinc/85/53/39/1430855339.db2.gz WXPHOCCWRFAAOZ-UHFFFAOYSA-N 1 1 389.427 3.466 20 5 GGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184199037 1430855342 /nfs/dbraw/zinc/85/53/42/1430855342.db2.gz WXPHOCCWRFAAOZ-UHFFFAOYSA-N 1 1 389.427 3.466 20 5 GGBDMO COc1cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184246490 1430861821 /nfs/dbraw/zinc/86/18/21/1430861821.db2.gz LKARMVMMOCDLJF-CQSZACIVSA-N 1 1 393.459 3.213 20 5 GGBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184247831 1430861998 /nfs/dbraw/zinc/86/19/98/1430861998.db2.gz RIVDDBDGWYDWDJ-UHFFFAOYSA-N 1 1 381.448 3.213 20 5 GGBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184251763 1430862482 /nfs/dbraw/zinc/86/24/82/1430862482.db2.gz GJXLMQSTMBOAFL-KBPBESRZSA-N 1 1 381.448 3.259 20 5 GGBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184251763 1430862481 /nfs/dbraw/zinc/86/24/81/1430862481.db2.gz GJXLMQSTMBOAFL-KBPBESRZSA-N 1 1 381.448 3.259 20 5 GGBDMO COc1cc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184292207 1430869351 /nfs/dbraw/zinc/86/93/51/1430869351.db2.gz MIAWNHHSUKZFMS-UHFFFAOYSA-N 1 1 381.448 3.307 20 5 GGBDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184395010 1430882604 /nfs/dbraw/zinc/88/26/04/1430882604.db2.gz NSNHNDNMAGBLBV-DGCLKSJQSA-N 1 1 378.454 3.436 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184495292 1430894712 /nfs/dbraw/zinc/89/47/12/1430894712.db2.gz BBBJOIRCUOXEFF-INIZCTEOSA-N 1 1 391.468 3.286 20 5 GGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000184661415 1430933591 /nfs/dbraw/zinc/93/35/91/1430933591.db2.gz DHQOIPBIOFMVLB-ICSRJNTNSA-N 1 1 391.512 3.027 20 5 GGBDMO CCc1nc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000184698758 1430945209 /nfs/dbraw/zinc/94/52/09/1430945209.db2.gz AILLBVAPKAPDHZ-LLVKDONJSA-N 1 1 378.454 3.302 20 5 GGBDMO CCc1cc(N[C@H](C)CCN2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184826335 1430992277 /nfs/dbraw/zinc/99/22/77/1430992277.db2.gz WZOHHTJUSQQSBB-MRXNPFEDSA-N 1 1 398.511 3.052 20 5 GGBDMO CCc1cc(N[C@@H](C)CCN2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184826319 1430992376 /nfs/dbraw/zinc/99/23/76/1430992376.db2.gz WZOHHTJUSQQSBB-INIZCTEOSA-N 1 1 398.511 3.052 20 5 GGBDMO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185077088 1431055322 /nfs/dbraw/zinc/05/53/22/1431055322.db2.gz UOHFGGHSFHMEIU-LBPRGKRZSA-N 1 1 399.382 3.463 20 5 GGBDMO COc1cccc(-c2noc([C@@H](C)[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000185134936 1431069574 /nfs/dbraw/zinc/06/95/74/1431069574.db2.gz QKZFYHPEJOFQKH-PXAZEXFGSA-N 1 1 384.392 3.038 20 5 GGBDMO CCC1(CC)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@]1=O ZINC000185252167 1431094086 /nfs/dbraw/zinc/09/40/86/1431094086.db2.gz XTFFELQAVNEQGD-HHHXNRCGSA-N 1 1 391.493 3.415 20 5 GGBDMO CCC1(CC)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@]1=O ZINC000185252167 1431094090 /nfs/dbraw/zinc/09/40/90/1431094090.db2.gz XTFFELQAVNEQGD-HHHXNRCGSA-N 1 1 391.493 3.415 20 5 GGBDMO COc1ccc(NC(=O)C[NH2+][C@@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000185277889 1431098398 /nfs/dbraw/zinc/09/83/98/1431098398.db2.gz MMURYVQAGMCXPB-MRXNPFEDSA-N 1 1 376.438 3.048 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185307224 1431107564 /nfs/dbraw/zinc/10/75/64/1431107564.db2.gz KYAMWPZXGGGEBB-MRXNPFEDSA-N 1 1 376.438 3.048 20 5 GGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000185429944 1431143703 /nfs/dbraw/zinc/14/37/03/1431143703.db2.gz FJQGTRUPDNTOGL-INIZCTEOSA-N 1 1 398.463 3.302 20 5 GGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185439659 1431145717 /nfs/dbraw/zinc/14/57/17/1431145717.db2.gz YFKDHZDKIIJKIF-HUUCEWRRSA-N 1 1 388.493 3.362 20 5 GGBDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000185439626 1431145985 /nfs/dbraw/zinc/14/59/85/1431145985.db2.gz YFKDHZDKIIJKIF-CABCVRRESA-N 1 1 388.493 3.362 20 5 GGBDMO C[C@H](c1ccsc1)[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000185462236 1431150336 /nfs/dbraw/zinc/15/03/36/1431150336.db2.gz AFXVMXSKVPFODX-OAHLLOKOSA-N 1 1 388.493 3.364 20 5 GGBDMO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185650304 1431195937 /nfs/dbraw/zinc/19/59/37/1431195937.db2.gz GEJUGRBCJJGJKM-UHFFFAOYSA-N 1 1 394.859 3.303 20 5 GGBDMO C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669765 1431201114 /nfs/dbraw/zinc/20/11/14/1431201114.db2.gz VRRKKBPHUYXCGT-KBPBESRZSA-N 1 1 394.903 3.429 20 5 GGBDMO C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720157 1431215025 /nfs/dbraw/zinc/21/50/25/1431215025.db2.gz BUGJBKLJDNVZDL-HOCLYGCPSA-N 1 1 385.468 3.387 20 5 GGBDMO CN1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000185895308 1431268167 /nfs/dbraw/zinc/26/81/67/1431268167.db2.gz BOYJASVLOJQPPD-UHFFFAOYSA-N 1 1 386.496 3.361 20 5 GGBDMO CN1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000185896536 1431268875 /nfs/dbraw/zinc/26/88/75/1431268875.db2.gz MIPYLCHOLUHLKQ-UHFFFAOYSA-N 1 1 386.496 3.361 20 5 GGBDMO CSc1cccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1[N+](=O)[O-] ZINC000185979447 1431304140 /nfs/dbraw/zinc/30/41/40/1431304140.db2.gz SCZFLNJFYBIWGC-UHFFFAOYSA-N 1 1 393.509 3.082 20 5 GGBDMO O=C(CC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186092740 1431328803 /nfs/dbraw/zinc/32/88/03/1431328803.db2.gz YAYHYCOITNGDRK-SFHVURJKSA-N 1 1 383.448 3.257 20 5 GGBDMO O=C(CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186092740 1431328807 /nfs/dbraw/zinc/32/88/07/1431328807.db2.gz YAYHYCOITNGDRK-SFHVURJKSA-N 1 1 383.448 3.257 20 5 GGBDMO CSc1cccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000186119495 1431334365 /nfs/dbraw/zinc/33/43/65/1431334365.db2.gz QHWNTUOZZZRMMR-UHFFFAOYSA-N 1 1 385.489 3.495 20 5 GGBDMO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186298215 1431374928 /nfs/dbraw/zinc/37/49/28/1431374928.db2.gz ZXRTUAVRPUUUJT-SFHVURJKSA-N 1 1 383.448 3.340 20 5 GGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186335923 1431386224 /nfs/dbraw/zinc/38/62/24/1431386224.db2.gz WPTPCJMTEOWBRR-GOSISDBHSA-N 1 1 383.448 3.340 20 5 GGBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1Cc1ccccc1 ZINC000186413016 1431407997 /nfs/dbraw/zinc/40/79/97/1431407997.db2.gz DELFBNDMKZNHIE-GOSISDBHSA-N 1 1 383.448 3.340 20 5 GGBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+]1Cc1ccccc1 ZINC000186413016 1431407999 /nfs/dbraw/zinc/40/79/99/1431407999.db2.gz DELFBNDMKZNHIE-GOSISDBHSA-N 1 1 383.448 3.340 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186663152 1431484807 /nfs/dbraw/zinc/48/48/07/1431484807.db2.gz CHQXRTVOZLOICA-NRFANRHFSA-N 1 1 381.432 3.363 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186687913 1431492828 /nfs/dbraw/zinc/49/28/28/1431492828.db2.gz ZGSSERUYZJQFGT-OAQYLSRUSA-N 1 1 397.431 3.063 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)n2)cc1 ZINC000186697070 1431494614 /nfs/dbraw/zinc/49/46/14/1431494614.db2.gz XTVAKYBLBTXARL-HXUWFJFHSA-N 1 1 378.388 3.276 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)n2)cc1 ZINC000186697070 1431494618 /nfs/dbraw/zinc/49/46/18/1431494618.db2.gz XTVAKYBLBTXARL-HXUWFJFHSA-N 1 1 378.388 3.276 20 5 GGBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000186822930 1431528627 /nfs/dbraw/zinc/52/86/27/1431528627.db2.gz AGAGSKVKZJOILJ-ZDUSSCGKSA-N 1 1 390.440 3.405 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnn(Cc4ccc(F)cc4)c3)C2)nc1 ZINC000187341373 1431702845 /nfs/dbraw/zinc/70/28/45/1431702845.db2.gz PISJSFIPRSSLKB-GOSISDBHSA-N 1 1 396.426 3.060 20 5 GGBDMO COc1ccc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000187607735 1431778035 /nfs/dbraw/zinc/77/80/35/1431778035.db2.gz XBPIXSUCAVWGBL-LJQANCHMSA-N 1 1 383.448 3.244 20 5 GGBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)Cc1ccsc1 ZINC000187807527 1431814685 /nfs/dbraw/zinc/81/46/85/1431814685.db2.gz GENNVLLEVUABRV-LBPRGKRZSA-N 1 1 391.449 3.277 20 5 GGBDMO CCCN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C(C)(C)C1=O ZINC000187888066 1431824330 /nfs/dbraw/zinc/82/43/30/1431824330.db2.gz KKDXVQXXEXKYOJ-UHFFFAOYSA-N 1 1 386.452 3.125 20 5 GGBDMO CCCN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C(C)(C)C1=O ZINC000187888066 1431824331 /nfs/dbraw/zinc/82/43/31/1431824331.db2.gz KKDXVQXXEXKYOJ-UHFFFAOYSA-N 1 1 386.452 3.125 20 5 GGBDMO CSc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000188246603 1431865439 /nfs/dbraw/zinc/86/54/39/1431865439.db2.gz KHCPVHUVFFCYCW-CZUORRHYSA-N 1 1 375.494 3.406 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188304607 1431871211 /nfs/dbraw/zinc/87/12/11/1431871211.db2.gz HMXFODRAFBCDCR-OAQYLSRUSA-N 1 1 398.463 3.004 20 5 GGBDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000188325029 1431873356 /nfs/dbraw/zinc/87/33/56/1431873356.db2.gz VEHXEXZCWVAVLV-OAHLLOKOSA-N 1 1 389.477 3.328 20 5 GGBDMO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188328436 1431873699 /nfs/dbraw/zinc/87/36/99/1431873699.db2.gz KWZDSFOZZBHKTA-HXUWFJFHSA-N 1 1 389.883 3.317 20 5 GGBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000188421582 1431882831 /nfs/dbraw/zinc/88/28/31/1431882831.db2.gz GWAVNGCJXSZBOV-UWJYYQICSA-N 1 1 394.475 3.304 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188633799 1431911343 /nfs/dbraw/zinc/91/13/43/1431911343.db2.gz HHJFUWBQFOPDEB-INIZCTEOSA-N 1 1 390.484 3.022 20 5 GGBDMO CC(C)c1ccc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000189108178 1432046193 /nfs/dbraw/zinc/04/61/93/1432046193.db2.gz SQBAJJHWZTXRSM-JZXOWHBKSA-N 1 1 389.496 3.432 20 5 GGBDMO CC(C)c1ccc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000189108178 1432046200 /nfs/dbraw/zinc/04/62/00/1432046200.db2.gz SQBAJJHWZTXRSM-JZXOWHBKSA-N 1 1 389.496 3.432 20 5 GGBDMO CC[C@@](C)(O)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000189727937 1432217102 /nfs/dbraw/zinc/21/71/02/1432217102.db2.gz PLGNHCOTFLJUPU-OAQYLSRUSA-N 1 1 385.464 3.221 20 5 GGBDMO CC[C@](C)(O)C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000189739827 1432220588 /nfs/dbraw/zinc/22/05/88/1432220588.db2.gz DGBSDSPCVIARBD-QFIPXVFZSA-N 1 1 397.475 3.147 20 5 GGBDMO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1Cc1ccc(F)cc1F ZINC000190477296 1432388939 /nfs/dbraw/zinc/38/89/39/1432388939.db2.gz FQNKQXKFOIPSNS-HNNXBMFYSA-N 1 1 381.404 3.215 20 5 GGBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1c[nH]c2ccccc12 ZINC000190481533 1432390195 /nfs/dbraw/zinc/39/01/95/1432390195.db2.gz UVPSKMDGVBTICT-UHFFFAOYSA-N 1 1 396.403 3.265 20 5 GGBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1c[nH]c2ccccc12 ZINC000190481533 1432390200 /nfs/dbraw/zinc/39/02/00/1432390200.db2.gz UVPSKMDGVBTICT-UHFFFAOYSA-N 1 1 396.403 3.265 20 5 GGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191313191 1432628569 /nfs/dbraw/zinc/62/85/69/1432628569.db2.gz XDIXRHAFWLFWDQ-UHFFFAOYSA-N 1 1 387.387 3.177 20 5 GGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191313191 1432628584 /nfs/dbraw/zinc/62/85/84/1432628584.db2.gz XDIXRHAFWLFWDQ-UHFFFAOYSA-N 1 1 387.387 3.177 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cn1 ZINC000191366065 1432642403 /nfs/dbraw/zinc/64/24/03/1432642403.db2.gz ZFDWOXRMNIHILQ-UHFFFAOYSA-N 1 1 380.408 3.422 20 5 GGBDMO CCC[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[N@H+]1CCOC ZINC000191413265 1432656941 /nfs/dbraw/zinc/65/69/41/1432656941.db2.gz WQNLPCGWFZKRPE-INIZCTEOSA-N 1 1 378.473 3.176 20 5 GGBDMO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191472066 1432667736 /nfs/dbraw/zinc/66/77/36/1432667736.db2.gz VDCABUPAOJDKIZ-GOSISDBHSA-N 1 1 382.420 3.334 20 5 GGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191472066 1432667739 /nfs/dbraw/zinc/66/77/39/1432667739.db2.gz VDCABUPAOJDKIZ-GOSISDBHSA-N 1 1 382.420 3.334 20 5 GGBDMO CCCn1ccnc1CCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191473056 1432668211 /nfs/dbraw/zinc/66/82/11/1432668211.db2.gz QLQFOAYOWHNUDG-UHFFFAOYSA-N 1 1 387.484 3.403 20 5 GGBDMO CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191478882 1432668721 /nfs/dbraw/zinc/66/87/21/1432668721.db2.gz XBHRWEUMXHCGCW-UHFFFAOYSA-N 1 1 393.875 3.358 20 5 GGBDMO CCCn1ccnc1CCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000191477102 1432668809 /nfs/dbraw/zinc/66/88/09/1432668809.db2.gz MZMXDFREBZYCOA-UHFFFAOYSA-N 1 1 391.447 3.234 20 5 GGBDMO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191510552 1432675707 /nfs/dbraw/zinc/67/57/07/1432675707.db2.gz DPDLHDSMGONNRE-GOSISDBHSA-N 1 1 382.420 3.334 20 5 GGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191510552 1432675708 /nfs/dbraw/zinc/67/57/08/1432675708.db2.gz DPDLHDSMGONNRE-GOSISDBHSA-N 1 1 382.420 3.334 20 5 GGBDMO Cc1cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000191929490 1432758101 /nfs/dbraw/zinc/75/81/01/1432758101.db2.gz QUMXJFLHDXKQHW-IBGZPJMESA-N 1 1 398.463 3.316 20 5 GGBDMO O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192048220 1432786996 /nfs/dbraw/zinc/78/69/96/1432786996.db2.gz NGROROJKKVFAMY-FQEVSTJZSA-N 1 1 381.432 3.392 20 5 GGBDMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107473 1432799506 /nfs/dbraw/zinc/79/95/06/1432799506.db2.gz QRGBICVTUNTYPJ-KRWDZBQOSA-N 1 1 378.436 3.170 20 5 GGBDMO Cc1cc(C)c(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000192135214 1432804347 /nfs/dbraw/zinc/80/43/47/1432804347.db2.gz DYQBISTXIPZYDF-CVEARBPZSA-N 1 1 395.525 3.143 20 5 GGBDMO CCCn1cc[nH+]c1CCCN(C)c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000192236044 1432820676 /nfs/dbraw/zinc/82/06/76/1432820676.db2.gz ADSVALWMLVHQGL-UHFFFAOYSA-N 1 1 387.484 3.409 20 5 GGBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356487 1432836254 /nfs/dbraw/zinc/83/62/54/1432836254.db2.gz IYUYPQHEJHSAPP-VWMRQFFHSA-N 1 1 381.476 3.489 20 5 GGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356487 1432836255 /nfs/dbraw/zinc/83/62/55/1432836255.db2.gz IYUYPQHEJHSAPP-VWMRQFFHSA-N 1 1 381.476 3.489 20 5 GGBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356493 1432836291 /nfs/dbraw/zinc/83/62/91/1432836291.db2.gz IYUYPQHEJHSAPP-LTSKSLEPSA-N 1 1 381.476 3.489 20 5 GGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356493 1432836292 /nfs/dbraw/zinc/83/62/92/1432836292.db2.gz IYUYPQHEJHSAPP-LTSKSLEPSA-N 1 1 381.476 3.489 20 5 GGBDMO COc1cccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000192573823 1432861748 /nfs/dbraw/zinc/86/17/48/1432861748.db2.gz QRNFIODLLPCYPX-CVEARBPZSA-N 1 1 375.469 3.330 20 5 GGBDMO CCc1nc(C[NH+]2CCC(CNc3c([N+](=O)[O-])c(C)nn3CC)CC2)cs1 ZINC000192587326 1432863198 /nfs/dbraw/zinc/86/31/98/1432863198.db2.gz OWHLBYFEPBBBKI-UHFFFAOYSA-N 1 1 392.529 3.463 20 5 GGBDMO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192810800 1432893569 /nfs/dbraw/zinc/89/35/69/1432893569.db2.gz BBBPNXZVDFRDSZ-OAQYLSRUSA-N 1 1 396.491 3.053 20 5 GGBDMO CC[C@@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000192897600 1432904323 /nfs/dbraw/zinc/90/43/23/1432904323.db2.gz IHMJXJOBUXDCOD-QGZVFWFLSA-N 1 1 383.448 3.340 20 5 GGBDMO CC[C@@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000192897600 1432904325 /nfs/dbraw/zinc/90/43/25/1432904325.db2.gz IHMJXJOBUXDCOD-QGZVFWFLSA-N 1 1 383.448 3.340 20 5 GGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000193133143 1432941729 /nfs/dbraw/zinc/94/17/29/1432941729.db2.gz MEUVKPLCDBIQLG-SFHVURJKSA-N 1 1 376.840 3.265 20 5 GGBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193316186 1432978045 /nfs/dbraw/zinc/97/80/45/1432978045.db2.gz KHPHWFMQTIMXMZ-HNNXBMFYSA-N 1 1 384.354 3.485 20 5 GGBDMO COc1ccc(NC(=O)CSCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000193638466 1433032356 /nfs/dbraw/zinc/03/23/56/1433032356.db2.gz PBDLAXUZSBXKNW-UHFFFAOYSA-N 1 1 389.477 3.407 20 5 GGBDMO COC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC000193662584 1433036127 /nfs/dbraw/zinc/03/61/27/1433036127.db2.gz XZKXKJXAZRBXTF-QGZVFWFLSA-N 1 1 377.828 3.472 20 5 GGBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[N@@H+](Cc4ccccc4)CC3)cc2N1 ZINC000193715460 1433045730 /nfs/dbraw/zinc/04/57/30/1433045730.db2.gz JQYUFQAJISJCSY-UHFFFAOYSA-N 1 1 380.448 3.192 20 5 GGBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)cc2N1 ZINC000193746313 1433051170 /nfs/dbraw/zinc/05/11/70/1433051170.db2.gz WYIGOEXLNVHWAH-UHFFFAOYSA-N 1 1 398.438 3.331 20 5 GGBDMO Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000193746266 1433051243 /nfs/dbraw/zinc/05/12/43/1433051243.db2.gz VFCVSSMGPXVNSD-LJQANCHMSA-N 1 1 398.463 3.182 20 5 GGBDMO O=C1CCc2cc([N+](=O)[O-])c(NCCc3[nH+]ccn3Cc3ccccc3)cc2N1 ZINC000193766923 1433055649 /nfs/dbraw/zinc/05/56/49/1433055649.db2.gz VUZJMFPZKDGZED-UHFFFAOYSA-N 1 1 391.431 3.379 20 5 GGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193774427 1433056775 /nfs/dbraw/zinc/05/67/75/1433056775.db2.gz HVDVFHVXTYTNJZ-QGZVFWFLSA-N 1 1 385.489 3.325 20 5 GGBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000193803262 1433062953 /nfs/dbraw/zinc/06/29/53/1433062953.db2.gz YMTDLWYYWLZWKQ-CQSZACIVSA-N 1 1 375.375 3.125 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000193946177 1433090193 /nfs/dbraw/zinc/09/01/93/1433090193.db2.gz KBKGTMWWZAZXPR-SFHVURJKSA-N 1 1 398.463 3.067 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000193947259 1433090328 /nfs/dbraw/zinc/09/03/28/1433090328.db2.gz BFQICYKCJMBSFO-IYBDPMFKSA-N 1 1 392.500 3.161 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000193999169 1433098613 /nfs/dbraw/zinc/09/86/13/1433098613.db2.gz MLDWUXZDGPMTFE-LLVKDONJSA-N 1 1 382.367 3.308 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000194029444 1433103825 /nfs/dbraw/zinc/10/38/25/1433103825.db2.gz ZDLWJZDSKROUDL-GFCCVEGCSA-N 1 1 390.362 3.209 20 5 GGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000194047244 1433106959 /nfs/dbraw/zinc/10/69/59/1433106959.db2.gz AADVJOQEUXLEAU-KRWDZBQOSA-N 1 1 379.413 3.053 20 5 GGBDMO COc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1[N+](=O)[O-] ZINC000194144703 1433125791 /nfs/dbraw/zinc/12/57/91/1433125791.db2.gz CCMRWNWZZPBTFO-UHFFFAOYSA-N 1 1 384.367 3.167 20 5 GGBDMO COc1cccc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000194303019 1433158245 /nfs/dbraw/zinc/15/82/45/1433158245.db2.gz AFTOUAABRWBUEX-AWEZNQCLSA-N 1 1 385.420 3.249 20 5 GGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000194379566 1433169123 /nfs/dbraw/zinc/16/91/23/1433169123.db2.gz FKGVKYPXUNQDTE-HNNXBMFYSA-N 1 1 384.354 3.485 20 5 GGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000194379566 1433169126 /nfs/dbraw/zinc/16/91/26/1433169126.db2.gz FKGVKYPXUNQDTE-HNNXBMFYSA-N 1 1 384.354 3.485 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)cc1 ZINC000194384605 1433170055 /nfs/dbraw/zinc/17/00/55/1433170055.db2.gz AKIKFSCLJBLOSL-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)cc1 ZINC000194384605 1433170059 /nfs/dbraw/zinc/17/00/59/1433170059.db2.gz AKIKFSCLJBLOSL-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000194538548 1433194204 /nfs/dbraw/zinc/19/42/04/1433194204.db2.gz PQVGDNIWMBKDPK-KDURUIRLSA-N 1 1 397.475 3.176 20 5 GGBDMO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000194614635 1433205504 /nfs/dbraw/zinc/20/55/04/1433205504.db2.gz FZSSTOZQZNWWRB-NVXWUHKLSA-N 1 1 383.448 3.386 20 5 GGBDMO COc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194614681 1433205570 /nfs/dbraw/zinc/20/55/70/1433205570.db2.gz FZSSTOZQZNWWRB-RDJZCZTQSA-N 1 1 383.448 3.386 20 5 GGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000194855824 1433249529 /nfs/dbraw/zinc/24/95/29/1433249529.db2.gz MWGXQTKFFOOAKJ-LJQANCHMSA-N 1 1 388.424 3.056 20 5 GGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000194855837 1433249579 /nfs/dbraw/zinc/24/95/79/1433249579.db2.gz MWGXQTKFFOOAKJ-IBGZPJMESA-N 1 1 388.424 3.056 20 5 GGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000194860902 1433250586 /nfs/dbraw/zinc/25/05/86/1433250586.db2.gz DQHQKHKNIUJXRM-IBGZPJMESA-N 1 1 388.424 3.056 20 5 GGBDMO CCC[C@]1(COC)CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000194939527 1433268759 /nfs/dbraw/zinc/26/87/59/1433268759.db2.gz BLESQLFRQQDMHJ-LJQANCHMSA-N 1 1 379.457 3.213 20 5 GGBDMO COc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000195374901 1433323907 /nfs/dbraw/zinc/32/39/07/1433323907.db2.gz GZUQESDCOXEVAF-UHFFFAOYSA-N 1 1 387.411 3.091 20 5 GGBDMO COc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000195374901 1433323908 /nfs/dbraw/zinc/32/39/08/1433323908.db2.gz GZUQESDCOXEVAF-UHFFFAOYSA-N 1 1 387.411 3.091 20 5 GGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000195422631 1433328096 /nfs/dbraw/zinc/32/80/96/1433328096.db2.gz BAXMUNMBKIHEJK-UHFFFAOYSA-N 1 1 389.260 3.465 20 5 GGBDMO COc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000195456796 1433332048 /nfs/dbraw/zinc/33/20/48/1433332048.db2.gz QDESRWXJEXNCKU-MRXNPFEDSA-N 1 1 377.828 3.290 20 5 GGBDMO CCc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195607710 1433341591 /nfs/dbraw/zinc/34/15/91/1433341591.db2.gz JWXIKWHERNDZJH-LJQANCHMSA-N 1 1 399.495 3.383 20 5 GGBDMO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195692226 1433344877 /nfs/dbraw/zinc/34/48/77/1433344877.db2.gz REXHBYRFFNSNOP-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO Cc1cc(C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195692226 1433344879 /nfs/dbraw/zinc/34/48/79/1433344879.db2.gz REXHBYRFFNSNOP-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000216191857 1433362948 /nfs/dbraw/zinc/36/29/48/1433362948.db2.gz GZYWHYOQXDIFHU-YOEHRIQHSA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000216191857 1433362951 /nfs/dbraw/zinc/36/29/51/1433362951.db2.gz GZYWHYOQXDIFHU-YOEHRIQHSA-N 1 1 385.420 3.084 20 5 GGBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000227683837 1433370396 /nfs/dbraw/zinc/37/03/96/1433370396.db2.gz QREWMASUEPZVPB-WBAXXEDZSA-N 1 1 389.452 3.038 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000229425775 1433372012 /nfs/dbraw/zinc/37/20/12/1433372012.db2.gz VOXVNGMTAWZCDV-GDBMZVCRSA-N 1 1 384.436 3.117 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000229425775 1433372014 /nfs/dbraw/zinc/37/20/14/1433372014.db2.gz VOXVNGMTAWZCDV-GDBMZVCRSA-N 1 1 384.436 3.117 20 5 GGBDMO CC(C)c1ccc(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000236717617 1433376743 /nfs/dbraw/zinc/37/67/43/1433376743.db2.gz XRKFIGHZCFRZAH-HXUWFJFHSA-N 1 1 383.492 3.227 20 5 GGBDMO CC(C)c1ccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000236717617 1433376745 /nfs/dbraw/zinc/37/67/45/1433376745.db2.gz XRKFIGHZCFRZAH-HXUWFJFHSA-N 1 1 383.492 3.227 20 5 GGBDMO CCCCNC(=O)c1ccc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cc1 ZINC000236798636 1433379088 /nfs/dbraw/zinc/37/90/88/1433379088.db2.gz ULUDIBSNLYJQFI-UHFFFAOYSA-N 1 1 387.436 3.129 20 5 GGBDMO COc1cc(CNC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237277925 1433395594 /nfs/dbraw/zinc/39/55/94/1433395594.db2.gz JYNONHTYTQSTEZ-GOSISDBHSA-N 1 1 385.464 3.366 20 5 GGBDMO COc1cc(CNC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237277925 1433395598 /nfs/dbraw/zinc/39/55/98/1433395598.db2.gz JYNONHTYTQSTEZ-GOSISDBHSA-N 1 1 385.464 3.366 20 5 GGBDMO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000237549671 1433408963 /nfs/dbraw/zinc/40/89/63/1433408963.db2.gz TVVSDLNWEIDLRC-OKILXGFUSA-N 1 1 389.477 3.196 20 5 GGBDMO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3csc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000237659081 1433415402 /nfs/dbraw/zinc/41/54/02/1433415402.db2.gz TVVSDLNWEIDLRC-ZIAGYGMSSA-N 1 1 389.477 3.196 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237681644 1433416685 /nfs/dbraw/zinc/41/66/85/1433416685.db2.gz XKKNNBNVTQFGCN-CALCHBBNSA-N 1 1 385.512 3.453 20 5 GGBDMO Cc1ccc(Sc2ccc(C[NH2+]CCS(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000237776008 1433423354 /nfs/dbraw/zinc/42/33/54/1433423354.db2.gz YUBZZWRHYPKLGU-UHFFFAOYSA-N 1 1 380.491 3.189 20 5 GGBDMO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)NCC(F)(F)F ZINC000237874807 1433430816 /nfs/dbraw/zinc/43/08/16/1433430816.db2.gz YELAWXGPWVBREB-UHFFFAOYSA-N 1 1 391.733 3.276 20 5 GGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000237982605 1433438095 /nfs/dbraw/zinc/43/80/95/1433438095.db2.gz BSPUMFJKXJYTSX-UHFFFAOYSA-N 1 1 389.477 3.059 20 5 GGBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNCCC[NH+]2CCC(O)CC2)s1 ZINC000238151679 1433444330 /nfs/dbraw/zinc/44/43/30/1433444330.db2.gz DUBYWDJSOOIOJQ-UHFFFAOYSA-N 1 1 375.494 3.260 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000245408650 1433462269 /nfs/dbraw/zinc/46/22/69/1433462269.db2.gz IGYHWESQLJNFKJ-CRAIPNDOSA-N 1 1 377.485 3.024 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000245439609 1433467861 /nfs/dbraw/zinc/46/78/61/1433467861.db2.gz FXZPNWFKEBMXQH-DNVCBOLYSA-N 1 1 399.447 3.394 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000245439609 1433467862 /nfs/dbraw/zinc/46/78/62/1433467862.db2.gz FXZPNWFKEBMXQH-DNVCBOLYSA-N 1 1 399.447 3.394 20 5 GGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245441147 1433468287 /nfs/dbraw/zinc/46/82/87/1433468287.db2.gz HCCKQTRPLFCOLP-UONOGXRCSA-N 1 1 382.892 3.381 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)nc1 ZINC000245450450 1433470013 /nfs/dbraw/zinc/47/00/13/1433470013.db2.gz OPSVBSRGHBIKPW-MLGOLLRUSA-N 1 1 396.369 3.228 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)nc1 ZINC000245450450 1433470014 /nfs/dbraw/zinc/47/00/14/1433470014.db2.gz OPSVBSRGHBIKPW-MLGOLLRUSA-N 1 1 396.369 3.228 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245454035 1433470883 /nfs/dbraw/zinc/47/08/83/1433470883.db2.gz RPRCNYTYNSXJIZ-FUHWJXTLSA-N 1 1 383.448 3.461 20 5 GGBDMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245454503 1433471084 /nfs/dbraw/zinc/47/10/84/1433471084.db2.gz SBTZKOIOMHXQBN-GDBMZVCRSA-N 1 1 383.452 3.066 20 5 GGBDMO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245454503 1433471087 /nfs/dbraw/zinc/47/10/87/1433471087.db2.gz SBTZKOIOMHXQBN-GDBMZVCRSA-N 1 1 383.452 3.066 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000245667311 1433497039 /nfs/dbraw/zinc/49/70/39/1433497039.db2.gz HHCODJUAWKVEHI-FQEVSTJZSA-N 1 1 382.464 3.221 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000245667311 1433497041 /nfs/dbraw/zinc/49/70/41/1433497041.db2.gz HHCODJUAWKVEHI-FQEVSTJZSA-N 1 1 382.464 3.221 20 5 GGBDMO C[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](c2ccccc2)C1 ZINC000245696882 1433501919 /nfs/dbraw/zinc/50/19/19/1433501919.db2.gz MQRZWPMDZKDYIA-GOSISDBHSA-N 1 1 379.420 3.134 20 5 GGBDMO C[N@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](c2ccccc2)C1 ZINC000245696882 1433501923 /nfs/dbraw/zinc/50/19/23/1433501923.db2.gz MQRZWPMDZKDYIA-GOSISDBHSA-N 1 1 379.420 3.134 20 5 GGBDMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245708004 1433503527 /nfs/dbraw/zinc/50/35/27/1433503527.db2.gz MWHXJCPOAJYSOE-HZPDHXFCSA-N 1 1 394.541 3.066 20 5 GGBDMO C[N@@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](c2ccccc2)C1 ZINC000245756951 1433512516 /nfs/dbraw/zinc/51/25/16/1433512516.db2.gz YPFUHCPSVRPPNL-GOSISDBHSA-N 1 1 379.420 3.134 20 5 GGBDMO C[N@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](c2ccccc2)C1 ZINC000245756951 1433512525 /nfs/dbraw/zinc/51/25/25/1433512525.db2.gz YPFUHCPSVRPPNL-GOSISDBHSA-N 1 1 379.420 3.134 20 5 GGBDMO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245755998 1433512684 /nfs/dbraw/zinc/51/26/84/1433512684.db2.gz YLZZOMVEMZIXRI-DLBZAZTESA-N 1 1 394.541 3.066 20 5 GGBDMO C[C@@H](O)C[N@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000245895419 1433536413 /nfs/dbraw/zinc/53/64/13/1433536413.db2.gz SJVHSIUMYZEJRY-SJKOYZFVSA-N 1 1 377.828 3.241 20 5 GGBDMO C[C@@H](O)C[N@@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000245895419 1433536419 /nfs/dbraw/zinc/53/64/19/1433536419.db2.gz SJVHSIUMYZEJRY-SJKOYZFVSA-N 1 1 377.828 3.241 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000246034509 1433559797 /nfs/dbraw/zinc/55/97/97/1433559797.db2.gz WJYXXLFYJXWSSG-WFASDCNBSA-N 1 1 386.395 3.248 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000246034502 1433559877 /nfs/dbraw/zinc/55/98/77/1433559877.db2.gz WJYXXLFYJXWSSG-SWLSCSKDSA-N 1 1 386.395 3.248 20 5 GGBDMO Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000246067411 1433564451 /nfs/dbraw/zinc/56/44/51/1433564451.db2.gz ZQSOFVBMAXMHID-YQQAZPJKSA-N 1 1 376.457 3.009 20 5 GGBDMO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246178358 1433578266 /nfs/dbraw/zinc/57/82/66/1433578266.db2.gz QVYHMPKWBWWFPR-YLJYHZDGSA-N 1 1 397.479 3.086 20 5 GGBDMO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000246278690 1433589132 /nfs/dbraw/zinc/58/91/32/1433589132.db2.gz ATBZNNAOWQYOIS-QFBILLFUSA-N 1 1 387.411 3.261 20 5 GGBDMO O=C(C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000246278690 1433589133 /nfs/dbraw/zinc/58/91/33/1433589133.db2.gz ATBZNNAOWQYOIS-QFBILLFUSA-N 1 1 387.411 3.261 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000246317694 1433594178 /nfs/dbraw/zinc/59/41/78/1433594178.db2.gz GSMDAQJCZLVOCW-IAGOWNOFSA-N 1 1 375.469 3.087 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000246336160 1433596616 /nfs/dbraw/zinc/59/66/16/1433596616.db2.gz IKDHZCDOJZWGES-LSDHHAIUSA-N 1 1 399.488 3.009 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246367546 1433602118 /nfs/dbraw/zinc/60/21/18/1433602118.db2.gz LLJNJOLSCIWFGD-MSOLQXFVSA-N 1 1 388.512 3.428 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000246370641 1433602199 /nfs/dbraw/zinc/60/21/99/1433602199.db2.gz LQTBZRBLZJTMGE-LSDHHAIUSA-N 1 1 399.488 3.009 20 5 GGBDMO O=C1N(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)CCN1c1ccccc1[N+](=O)[O-] ZINC000246570778 1433632809 /nfs/dbraw/zinc/63/28/09/1433632809.db2.gz MISZVVJITOFMBH-SJORKVTESA-N 1 1 376.482 3.154 20 5 GGBDMO O=C1N(C[N@H+]2CCS[C@H]3CCCC[C@H]32)CCN1c1ccccc1[N+](=O)[O-] ZINC000246570778 1433632811 /nfs/dbraw/zinc/63/28/11/1433632811.db2.gz MISZVVJITOFMBH-SJORKVTESA-N 1 1 376.482 3.154 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000246785117 1433665918 /nfs/dbraw/zinc/66/59/18/1433665918.db2.gz OTJZYCGCIAYOSV-WBVHZDCISA-N 1 1 383.448 3.495 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000246796799 1433668566 /nfs/dbraw/zinc/66/85/66/1433668566.db2.gz MPLSCPMXUKBRAY-MAUKXSAKSA-N 1 1 383.452 3.094 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246816833 1433673219 /nfs/dbraw/zinc/67/32/19/1433673219.db2.gz OMMSDZCEEXIQPU-BBRMVZONSA-N 1 1 383.876 3.115 20 5 GGBDMO Cc1cc(S(=O)(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000247231335 1433694233 /nfs/dbraw/zinc/69/42/33/1433694233.db2.gz NWLHPOPQXVTPSW-IAGOWNOFSA-N 1 1 395.525 3.178 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000247284343 1433700714 /nfs/dbraw/zinc/70/07/14/1433700714.db2.gz SQYDISFUVSHYNY-RDJZCZTQSA-N 1 1 378.473 3.162 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000247399862 1433716744 /nfs/dbraw/zinc/71/67/44/1433716744.db2.gz MAQWKHNGHMGMDV-YPGOJHLTSA-N 1 1 381.476 3.410 20 5 GGBDMO CC1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000247521867 1433733020 /nfs/dbraw/zinc/73/30/20/1433733020.db2.gz WMGHLOLXYUEGFR-SJLPKXTDSA-N 1 1 388.512 3.243 20 5 GGBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247580487 1433739120 /nfs/dbraw/zinc/73/91/20/1433739120.db2.gz LHTAKWJLMULYNH-HQEOYTPBSA-N 1 1 386.448 3.185 20 5 GGBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247580487 1433739122 /nfs/dbraw/zinc/73/91/22/1433739122.db2.gz LHTAKWJLMULYNH-HQEOYTPBSA-N 1 1 386.448 3.185 20 5 GGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000247993922 1433762242 /nfs/dbraw/zinc/76/22/42/1433762242.db2.gz JSWNKIMHCFMCDW-SMDDNHRTSA-N 1 1 384.383 3.144 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248410489 1433800412 /nfs/dbraw/zinc/80/04/12/1433800412.db2.gz XYABREJQUHDRRF-QWHZDKJVSA-N 1 1 383.452 3.268 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000248428970 1433801772 /nfs/dbraw/zinc/80/17/72/1433801772.db2.gz PVTSYCZBCRSKQG-DLBZAZTESA-N 1 1 395.525 3.011 20 5 GGBDMO Cc1ccc([C@@H]2CSCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248450654 1433803605 /nfs/dbraw/zinc/80/36/05/1433803605.db2.gz IRSPJLDXGNEJQX-MJGOQNOKSA-N 1 1 388.489 3.433 20 5 GGBDMO CCOc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248462817 1433804899 /nfs/dbraw/zinc/80/48/99/1433804899.db2.gz YOOBRHIHFAUVMQ-OXJNMPFZSA-N 1 1 399.491 3.411 20 5 GGBDMO CCOc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248462817 1433804901 /nfs/dbraw/zinc/80/49/01/1433804901.db2.gz YOOBRHIHFAUVMQ-OXJNMPFZSA-N 1 1 399.491 3.411 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)c1nccs1 ZINC000248465952 1433805009 /nfs/dbraw/zinc/80/50/09/1433805009.db2.gz RYYAOFUSFSOQEG-NWDGAFQWSA-N 1 1 378.454 3.122 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000248465952 1433805011 /nfs/dbraw/zinc/80/50/11/1433805011.db2.gz RYYAOFUSFSOQEG-NWDGAFQWSA-N 1 1 378.454 3.122 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000248537695 1433807525 /nfs/dbraw/zinc/80/75/25/1433807525.db2.gz HIXLVVZSMKSXOA-VPWXQRGCSA-N 1 1 383.448 3.286 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000248537695 1433807527 /nfs/dbraw/zinc/80/75/27/1433807527.db2.gz HIXLVVZSMKSXOA-VPWXQRGCSA-N 1 1 383.448 3.286 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000248877500 1433827200 /nfs/dbraw/zinc/82/72/00/1433827200.db2.gz RHJIMXSZVDERKV-SJLPKXTDSA-N 1 1 383.448 3.000 20 5 GGBDMO C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000248929922 1433829643 /nfs/dbraw/zinc/82/96/43/1433829643.db2.gz XQLUJQJNGIZZPB-GQIGUUNPSA-N 1 1 382.464 3.476 20 5 GGBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccc2)C1=O ZINC000249122428 1433836224 /nfs/dbraw/zinc/83/62/24/1433836224.db2.gz XOCDLXAWUBDFNJ-GHTZIAJQSA-N 1 1 394.431 3.156 20 5 GGBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCC[C@H]2c2ccccc2)C1=O ZINC000249122428 1433836225 /nfs/dbraw/zinc/83/62/25/1433836225.db2.gz XOCDLXAWUBDFNJ-GHTZIAJQSA-N 1 1 394.431 3.156 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000249146464 1433837583 /nfs/dbraw/zinc/83/75/83/1433837583.db2.gz UOKAFSITGWHOHA-GOEBONIOSA-N 1 1 395.525 3.184 20 5 GGBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000249731473 1433850274 /nfs/dbraw/zinc/85/02/74/1433850274.db2.gz APJGPUBWIOMWMA-WBAXXEDZSA-N 1 1 389.452 3.038 20 5 GGBDMO CSc1ccc(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000250198982 1433854979 /nfs/dbraw/zinc/85/49/79/1433854979.db2.gz BCDSYRBZQJLZLT-IJEWVQPXSA-N 1 1 393.509 3.031 20 5 GGBDMO CSc1ccc(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000250198982 1433854981 /nfs/dbraw/zinc/85/49/81/1433854981.db2.gz BCDSYRBZQJLZLT-IJEWVQPXSA-N 1 1 393.509 3.031 20 5 GGBDMO C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@H+]1CCC[C@H](C)C1 ZINC000252197656 1433862824 /nfs/dbraw/zinc/86/28/24/1433862824.db2.gz SQPDOVVKKYOJGP-DLBZAZTESA-N 1 1 388.512 3.048 20 5 GGBDMO O=c1[nH]cnc2cc(N3CC[NH+](C/C=C/c4ccccc4)CC3)c([N+](=O)[O-])cc12 ZINC000253616820 1433870762 /nfs/dbraw/zinc/87/07/62/1433870762.db2.gz MVNFNXJJPFQKDR-QPJJXVBHSA-N 1 1 391.431 3.079 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000255036232 1433874778 /nfs/dbraw/zinc/87/47/78/1433874778.db2.gz HTMJYGLXPIAMCT-SJLPKXTDSA-N 1 1 392.477 3.077 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000255196115 1433878324 /nfs/dbraw/zinc/87/83/24/1433878324.db2.gz LVHFVFGOIXTRID-DOTOQJQBSA-N 1 1 397.431 3.355 20 5 GGBDMO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000255372174 1433881531 /nfs/dbraw/zinc/88/15/31/1433881531.db2.gz CFCGRDKLYCSCGO-ALCCZGGFSA-N 1 1 397.431 3.340 20 5 GGBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000255372174 1433881534 /nfs/dbraw/zinc/88/15/34/1433881534.db2.gz CFCGRDKLYCSCGO-ALCCZGGFSA-N 1 1 397.431 3.340 20 5 GGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000255539277 1433884446 /nfs/dbraw/zinc/88/44/46/1433884446.db2.gz YOGHVJPHFJIXBJ-HYXAFXHYSA-N 1 1 381.461 3.435 20 5 GGBDMO C[N@H+]1CCCN(c2ccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000255641180 1433887249 /nfs/dbraw/zinc/88/72/49/1433887249.db2.gz XQGMHTMEAVWNSJ-XGICHPGQSA-N 1 1 380.448 3.389 20 5 GGBDMO Cc1cc(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000255958657 1433892807 /nfs/dbraw/zinc/89/28/07/1433892807.db2.gz MAGLVXBIOBSGDZ-NRFANRHFSA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1cc(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000255958657 1433892808 /nfs/dbraw/zinc/89/28/08/1433892808.db2.gz MAGLVXBIOBSGDZ-NRFANRHFSA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1cc(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000255958657 1433892810 /nfs/dbraw/zinc/89/28/10/1433892810.db2.gz MAGLVXBIOBSGDZ-NRFANRHFSA-N 1 1 396.491 3.012 20 5 GGBDMO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261714202 1433899806 /nfs/dbraw/zinc/89/98/06/1433899806.db2.gz DSRALDHLQIEJNC-FQEVSTJZSA-N 1 1 398.438 3.121 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261716181 1433899815 /nfs/dbraw/zinc/89/98/15/1433899815.db2.gz DVPKHRDDGRTOAF-QGZVFWFLSA-N 1 1 389.839 3.190 20 5 GGBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261895149 1433910630 /nfs/dbraw/zinc/91/06/30/1433910630.db2.gz GAXHEERTRVIEAC-IBGZPJMESA-N 1 1 384.411 3.095 20 5 GGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261976763 1433918815 /nfs/dbraw/zinc/91/88/15/1433918815.db2.gz NTQRIRKYTSYFTP-FZKQIMNGSA-N 1 1 389.452 3.388 20 5 GGBDMO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000263521635 1434010935 /nfs/dbraw/zinc/01/09/35/1434010935.db2.gz RGEOSYPNPJKNFJ-HNNXBMFYSA-N 1 1 387.436 3.226 20 5 GGBDMO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000263521635 1434010937 /nfs/dbraw/zinc/01/09/37/1434010937.db2.gz RGEOSYPNPJKNFJ-HNNXBMFYSA-N 1 1 387.436 3.226 20 5 GGBDMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000263521635 1434010939 /nfs/dbraw/zinc/01/09/39/1434010939.db2.gz RGEOSYPNPJKNFJ-HNNXBMFYSA-N 1 1 387.436 3.226 20 5 GGBDMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000263521635 1434010942 /nfs/dbraw/zinc/01/09/42/1434010942.db2.gz RGEOSYPNPJKNFJ-HNNXBMFYSA-N 1 1 387.436 3.226 20 5 GGBDMO COc1cc(C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)ccc1O ZINC000263662337 1434017143 /nfs/dbraw/zinc/01/71/43/1434017143.db2.gz KDEQCHLRDMSZAF-UHFFFAOYSA-N 1 1 385.420 3.302 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1SC ZINC000264168700 1434077973 /nfs/dbraw/zinc/07/79/73/1434077973.db2.gz PAXRSZLGGQXTHS-CHWSQXEVSA-N 1 1 381.498 3.176 20 5 GGBDMO Cc1cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000264228042 1434084606 /nfs/dbraw/zinc/08/46/06/1434084606.db2.gz LRRXGDCTYIKUQE-UHFFFAOYSA-N 1 1 394.475 3.148 20 5 GGBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000264488121 1434119320 /nfs/dbraw/zinc/11/93/20/1434119320.db2.gz VYQVOUROZWPTFJ-UHFFFAOYSA-N 1 1 392.419 3.031 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000264685720 1434143836 /nfs/dbraw/zinc/14/38/36/1434143836.db2.gz YBFGBKKVOXENJN-HLLBOEOZSA-N 1 1 376.457 3.009 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000264685720 1434143838 /nfs/dbraw/zinc/14/38/38/1434143838.db2.gz YBFGBKKVOXENJN-HLLBOEOZSA-N 1 1 376.457 3.009 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3cc([N+](=O)[O-])ccc3C)CC2)oc1C ZINC000264785851 1434154972 /nfs/dbraw/zinc/15/49/72/1434154972.db2.gz SPZVFALCHVKULD-UHFFFAOYSA-N 1 1 386.452 3.150 20 5 GGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000265005602 1434173770 /nfs/dbraw/zinc/17/37/70/1434173770.db2.gz UBVHCKLDORNJDP-ZDUSSCGKSA-N 1 1 381.498 3.320 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NCCCNc2ccc(C)c[nH+]2)cc1SC ZINC000265606180 1434249946 /nfs/dbraw/zinc/24/99/46/1434249946.db2.gz MWVYMTVQNRMMPI-UHFFFAOYSA-N 1 1 390.465 3.261 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000265777299 1434264500 /nfs/dbraw/zinc/26/45/00/1434264500.db2.gz OCLKHZMEICBMBX-APWZRJJASA-N 1 1 391.512 3.126 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000265777310 1434264513 /nfs/dbraw/zinc/26/45/13/1434264513.db2.gz OCLKHZMEICBMBX-VQIMIIECSA-N 1 1 391.512 3.126 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000265956368 1434288466 /nfs/dbraw/zinc/28/84/66/1434288466.db2.gz ONDWQUYDPUBXMS-UHFFFAOYSA-N 1 1 393.484 3.196 20 5 GGBDMO COc1cc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000266112894 1434304503 /nfs/dbraw/zinc/30/45/03/1434304503.db2.gz KTFNQCFLVMCAFK-UHFFFAOYSA-N 1 1 384.436 3.118 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000266284180 1434316303 /nfs/dbraw/zinc/31/63/03/1434316303.db2.gz BLGGHFKFUZXEPM-CQSZACIVSA-N 1 1 383.876 3.207 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000266284179 1434316327 /nfs/dbraw/zinc/31/63/27/1434316327.db2.gz BLGGHFKFUZXEPM-AWEZNQCLSA-N 1 1 383.876 3.207 20 5 GGBDMO C[C@H](Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000266427659 1434334971 /nfs/dbraw/zinc/33/49/71/1434334971.db2.gz CLMDFYAXUVRLJG-INIZCTEOSA-N 1 1 382.464 3.084 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298737 1434420502 /nfs/dbraw/zinc/42/05/02/1434420502.db2.gz UCRSLNACCKOYGY-HRAATJIYSA-N 1 1 397.475 3.462 20 5 GGBDMO CCOc1cc(NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c([N+](=O)[O-])cc1OCC ZINC000267357438 1434425386 /nfs/dbraw/zinc/42/53/86/1434425386.db2.gz WBEXDXVOEHLXHG-AWEZNQCLSA-N 1 1 394.472 3.198 20 5 GGBDMO CCOc1cc(NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c([N+](=O)[O-])cc1OCC ZINC000267357440 1434425431 /nfs/dbraw/zinc/42/54/31/1434425431.db2.gz WBEXDXVOEHLXHG-CQSZACIVSA-N 1 1 394.472 3.198 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000267395289 1434429032 /nfs/dbraw/zinc/42/90/32/1434429032.db2.gz IQTQXHFJYUQRBD-WMZOPIPTSA-N 1 1 383.448 3.000 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000267442417 1434433662 /nfs/dbraw/zinc/43/36/62/1434433662.db2.gz CIUYJZURIFGLMS-XJKSGUPXSA-N 1 1 383.876 3.115 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000267442411 1434433719 /nfs/dbraw/zinc/43/37/19/1434433719.db2.gz CIUYJZURIFGLMS-BBRMVZONSA-N 1 1 383.876 3.115 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000267458149 1434435786 /nfs/dbraw/zinc/43/57/86/1434435786.db2.gz QORVUXPQKAOUHE-KRWDZBQOSA-N 1 1 382.464 3.161 20 5 GGBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000267780762 1434464018 /nfs/dbraw/zinc/46/40/18/1434464018.db2.gz SPOSBZJHOWAYLQ-CQSZACIVSA-N 1 1 394.435 3.353 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000268285836 1434508537 /nfs/dbraw/zinc/50/85/37/1434508537.db2.gz YXLLPXPRPMNGBT-SFHVURJKSA-N 1 1 391.515 3.249 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000269319517 1434622946 /nfs/dbraw/zinc/62/29/46/1434622946.db2.gz IMQLDEGLZQIKRP-CYBMUJFWSA-N 1 1 379.848 3.127 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269335895 1434626898 /nfs/dbraw/zinc/62/68/98/1434626898.db2.gz BHQZPZGYJYVZOL-ZBFHGGJFSA-N 1 1 385.468 3.224 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269335889 1434626940 /nfs/dbraw/zinc/62/69/40/1434626940.db2.gz BHQZPZGYJYVZOL-GDBMZVCRSA-N 1 1 385.468 3.224 20 5 GGBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269461823 1434649390 /nfs/dbraw/zinc/64/93/90/1434649390.db2.gz YEGGXRAOBRRVMK-WMLDXEAASA-N 1 1 386.452 3.005 20 5 GGBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269461831 1434649653 /nfs/dbraw/zinc/64/96/53/1434649653.db2.gz YEGGXRAOBRRVMK-YOEHRIQHSA-N 1 1 386.452 3.005 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)C[C@@H](O)c3ccccc3)cs2)c1 ZINC000269932631 1434687881 /nfs/dbraw/zinc/68/78/81/1434687881.db2.gz NKXOIEWAKMCMGR-QFBILLFUSA-N 1 1 399.472 3.293 20 5 GGBDMO COc1cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OC ZINC000270161829 1434708304 /nfs/dbraw/zinc/70/83/04/1434708304.db2.gz UEAKRTRSFLZPBY-GWQKEKGPSA-N 1 1 378.450 3.200 20 5 GGBDMO CC(C)[NH+]1CCN(C2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)CC1 ZINC000270499209 1434739208 /nfs/dbraw/zinc/73/92/08/1434739208.db2.gz UCVYOIBMTOETPO-UHFFFAOYSA-N 1 1 383.496 3.138 20 5 GGBDMO CC(C)[NH+]1CCN(C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 ZINC000270946993 1434790100 /nfs/dbraw/zinc/79/01/00/1434790100.db2.gz SEPIQEPPDZSLKT-UHFFFAOYSA-N 1 1 380.920 3.239 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c([N+](=O)[O-])cc1OC ZINC000271172748 1434806098 /nfs/dbraw/zinc/80/60/98/1434806098.db2.gz AKTMFJFCOKEMDE-ZDUSSCGKSA-N 1 1 388.424 3.252 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c([N+](=O)[O-])cc1OC ZINC000271172748 1434806101 /nfs/dbraw/zinc/80/61/01/1434806101.db2.gz AKTMFJFCOKEMDE-ZDUSSCGKSA-N 1 1 388.424 3.252 20 5 GGBDMO CCC1(O)CC[NH+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000271183944 1434806845 /nfs/dbraw/zinc/80/68/45/1434806845.db2.gz IQANKONWWMYBLZ-UHFFFAOYSA-N 1 1 392.374 3.281 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000271795005 1434851170 /nfs/dbraw/zinc/85/11/70/1434851170.db2.gz REHYHXASIMRSGH-LLVKDONJSA-N 1 1 395.362 3.494 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272262568 1434882416 /nfs/dbraw/zinc/88/24/16/1434882416.db2.gz KHVZSLNDCMIKJW-LBPRGKRZSA-N 1 1 396.394 3.350 20 5 GGBDMO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272386266 1434892776 /nfs/dbraw/zinc/89/27/76/1434892776.db2.gz WCLAUXRZUQNJQE-AEFFLSMTSA-N 1 1 383.448 3.000 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272506289 1434901475 /nfs/dbraw/zinc/90/14/75/1434901475.db2.gz ICTJXWJXTPJJRN-KVSKMBFKSA-N 1 1 388.493 3.062 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272506293 1434901532 /nfs/dbraw/zinc/90/15/32/1434901532.db2.gz ICTJXWJXTPJJRN-SZVBFZGTSA-N 1 1 388.493 3.062 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272506296 1434901580 /nfs/dbraw/zinc/90/15/80/1434901580.db2.gz ICTJXWJXTPJJRN-WDYCEAGBSA-N 1 1 388.493 3.062 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])cc1 ZINC000272522760 1434904060 /nfs/dbraw/zinc/90/40/60/1434904060.db2.gz LMKOXQKQHQFRPI-HXUWFJFHSA-N 1 1 378.432 3.185 20 5 GGBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])cc1 ZINC000272522758 1434904090 /nfs/dbraw/zinc/90/40/90/1434904090.db2.gz LMKOXQKQHQFRPI-FQEVSTJZSA-N 1 1 378.432 3.185 20 5 GGBDMO Cn1ccnc1[C@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272539074 1434905796 /nfs/dbraw/zinc/90/57/96/1434905796.db2.gz OREZZXNUUDISON-AZUAARDMSA-N 1 1 395.463 3.437 20 5 GGBDMO COc1ccc(OC)c(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272558464 1434907564 /nfs/dbraw/zinc/90/75/64/1434907564.db2.gz STMKWERYAKWIEI-FQEVSTJZSA-N 1 1 396.447 3.267 20 5 GGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000272571796 1434909003 /nfs/dbraw/zinc/90/90/03/1434909003.db2.gz SADUJQIRFVWJLL-YJBOKZPZSA-N 1 1 383.448 3.426 20 5 GGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000272571796 1434909005 /nfs/dbraw/zinc/90/90/05/1434909005.db2.gz SADUJQIRFVWJLL-YJBOKZPZSA-N 1 1 383.448 3.426 20 5 GGBDMO COc1ccc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000272576404 1434909577 /nfs/dbraw/zinc/90/95/77/1434909577.db2.gz XFEWQSFVFICQAN-FQEVSTJZSA-N 1 1 396.447 3.267 20 5 GGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000272585852 1434911022 /nfs/dbraw/zinc/91/10/22/1434911022.db2.gz ZCRRKQJXCYZQJR-ICSRJNTNSA-N 1 1 384.411 3.054 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272598119 1434912864 /nfs/dbraw/zinc/91/28/64/1434912864.db2.gz OGTIXKYQGGTRTL-SFHVURJKSA-N 1 1 388.411 3.374 20 5 GGBDMO C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272651361 1434919797 /nfs/dbraw/zinc/91/97/97/1434919797.db2.gz FDABZNBNQZCDRP-DOTOQJQBSA-N 1 1 384.480 3.319 20 5 GGBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)C1 ZINC000272696595 1434923873 /nfs/dbraw/zinc/92/38/73/1434923873.db2.gz VHSKGEQXTOCLNG-AWEZNQCLSA-N 1 1 384.436 3.150 20 5 GGBDMO C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272732683 1434926713 /nfs/dbraw/zinc/92/67/13/1434926713.db2.gz BXOGCAHBQWVBLU-UONOGXRCSA-N 1 1 381.498 3.063 20 5 GGBDMO C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272752973 1434928137 /nfs/dbraw/zinc/92/81/37/1434928137.db2.gz OKUDXRLTWISFEO-ZIAGYGMSSA-N 1 1 381.423 3.456 20 5 GGBDMO COc1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272871384 1434937675 /nfs/dbraw/zinc/93/76/75/1434937675.db2.gz WRAHLDFEAPHJRY-HOCLYGCPSA-N 1 1 390.484 3.056 20 5 GGBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)sc2C1 ZINC000273003345 1434948861 /nfs/dbraw/zinc/94/88/61/1434948861.db2.gz HXEXLSLLMGACJT-UHFFFAOYSA-N 1 1 399.476 3.480 20 5 GGBDMO CC(C)[N@H+]1CCc2nc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)sc2C1 ZINC000273003345 1434948864 /nfs/dbraw/zinc/94/88/64/1434948864.db2.gz HXEXLSLLMGACJT-UHFFFAOYSA-N 1 1 399.476 3.480 20 5 GGBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)sc2C1 ZINC000273074374 1434957754 /nfs/dbraw/zinc/95/77/54/1434957754.db2.gz AWALKLCTROCNTF-UHFFFAOYSA-N 1 1 382.392 3.348 20 5 GGBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)sc2C1 ZINC000273074374 1434957756 /nfs/dbraw/zinc/95/77/56/1434957756.db2.gz AWALKLCTROCNTF-UHFFFAOYSA-N 1 1 382.392 3.348 20 5 GGBDMO COc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1[N+](=O)[O-] ZINC000273077683 1434958124 /nfs/dbraw/zinc/95/81/24/1434958124.db2.gz WZSZNJMHRPAGGS-UHFFFAOYSA-N 1 1 376.438 3.079 20 5 GGBDMO COc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1[N+](=O)[O-] ZINC000273077683 1434958127 /nfs/dbraw/zinc/95/81/27/1434958127.db2.gz WZSZNJMHRPAGGS-UHFFFAOYSA-N 1 1 376.438 3.079 20 5 GGBDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273248023 1434975440 /nfs/dbraw/zinc/97/54/40/1434975440.db2.gz YAIKPJKIENGPNP-KXBFYZLASA-N 1 1 396.447 3.058 20 5 GGBDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273248023 1434975442 /nfs/dbraw/zinc/97/54/42/1434975442.db2.gz YAIKPJKIENGPNP-KXBFYZLASA-N 1 1 396.447 3.058 20 5 GGBDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273248019 1434975560 /nfs/dbraw/zinc/97/55/60/1434975560.db2.gz YAIKPJKIENGPNP-HNAYVOBHSA-N 1 1 396.447 3.058 20 5 GGBDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273248019 1434975563 /nfs/dbraw/zinc/97/55/63/1434975563.db2.gz YAIKPJKIENGPNP-HNAYVOBHSA-N 1 1 396.447 3.058 20 5 GGBDMO CC(C)C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000273576656 1434997748 /nfs/dbraw/zinc/99/77/48/1434997748.db2.gz OWSKCZFXQLDIPF-GOSISDBHSA-N 1 1 377.466 3.141 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000273977630 1435033936 /nfs/dbraw/zinc/03/39/36/1435033936.db2.gz TVVPJOXKQIIXPH-UHFFFAOYSA-N 1 1 397.410 3.217 20 5 GGBDMO CC(C)c1noc([C@H](C)[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000274159388 1435047785 /nfs/dbraw/zinc/04/77/85/1435047785.db2.gz ZBEADFTZVZCZEO-ZDUSSCGKSA-N 1 1 399.455 3.251 20 5 GGBDMO CC(C)c1noc([C@H](C)[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000274159388 1435047787 /nfs/dbraw/zinc/04/77/87/1435047787.db2.gz ZBEADFTZVZCZEO-ZDUSSCGKSA-N 1 1 399.455 3.251 20 5 GGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCN1CCN(C)CC1 ZINC000274677728 1435084819 /nfs/dbraw/zinc/08/48/19/1435084819.db2.gz ZKWDXXOSXGRCJC-SJORKVTESA-N 1 1 380.558 3.081 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801314 1435093735 /nfs/dbraw/zinc/09/37/35/1435093735.db2.gz FKGQPWFRXKJNMU-LAUBAEHRSA-N 1 1 396.491 3.058 20 5 GGBDMO COc1cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c([N+](=O)[O-])cc1F ZINC000274949882 1435105500 /nfs/dbraw/zinc/10/55/00/1435105500.db2.gz GXGGUBIMPVTSHX-UHFFFAOYSA-N 1 1 389.431 3.050 20 5 GGBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(c4nnc5n4CCCC5)CC3)nc2c1 ZINC000275013363 1435109774 /nfs/dbraw/zinc/10/97/74/1435109774.db2.gz RXEZPWIVTVODMV-UHFFFAOYSA-N 1 1 382.424 3.043 20 5 GGBDMO C[C@@H]1C[NH+](CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H](C)O1 ZINC000275603839 1435151997 /nfs/dbraw/zinc/15/19/97/1435151997.db2.gz JKFRMPYJQITDAU-HZPDHXFCSA-N 1 1 393.487 3.323 20 5 GGBDMO C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1CC(C)(C)O ZINC000275702626 1435161192 /nfs/dbraw/zinc/16/11/92/1435161192.db2.gz VIDSNSOIQYGECG-HNNXBMFYSA-N 1 1 393.487 3.011 20 5 GGBDMO C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+]1CC(C)(C)O ZINC000275702626 1435161194 /nfs/dbraw/zinc/16/11/94/1435161194.db2.gz VIDSNSOIQYGECG-HNNXBMFYSA-N 1 1 393.487 3.011 20 5 GGBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275830257 1435173431 /nfs/dbraw/zinc/17/34/31/1435173431.db2.gz AXLSOFDTZCRUCG-UHFFFAOYSA-N 1 1 393.487 3.012 20 5 GGBDMO CC(=O)N(C[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000276671414 1435224191 /nfs/dbraw/zinc/22/41/91/1435224191.db2.gz ZDEGSXJJYAQXNH-LJQANCHMSA-N 1 1 398.463 3.268 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277085166 1435260459 /nfs/dbraw/zinc/26/04/59/1435260459.db2.gz URJFXANCFRCRSK-UHFFFAOYSA-N 1 1 398.868 3.340 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000277550174 1435312338 /nfs/dbraw/zinc/31/23/38/1435312338.db2.gz IVBGVUDOGQGFJR-UHFFFAOYSA-N 1 1 387.461 3.405 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000277559980 1435312801 /nfs/dbraw/zinc/31/28/01/1435312801.db2.gz JWCJPLAONBIVKM-HKUYNNGSSA-N 1 1 381.432 3.360 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000277624826 1435317188 /nfs/dbraw/zinc/31/71/88/1435317188.db2.gz ASCRXTCETRCOAP-SUMWQHHRSA-N 1 1 399.369 3.428 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000278070536 1435356032 /nfs/dbraw/zinc/35/60/32/1435356032.db2.gz LHAOLNPBLHMTFJ-UHFFFAOYSA-N 1 1 384.436 3.170 20 5 GGBDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278212275 1435369798 /nfs/dbraw/zinc/36/97/98/1435369798.db2.gz KHUDSCLZJKHINO-UHFFFAOYSA-N 1 1 390.440 3.164 20 5 GGBDMO Cn1cc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278342374 1435381775 /nfs/dbraw/zinc/38/17/75/1435381775.db2.gz HTTLVPRSEUDECH-DYVFJYSZSA-N 1 1 398.385 3.131 20 5 GGBDMO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000278374297 1435385080 /nfs/dbraw/zinc/38/50/80/1435385080.db2.gz AFZQJGNQOXASAT-UWVGGRQHSA-N 1 1 391.371 3.161 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000278426933 1435390147 /nfs/dbraw/zinc/39/01/47/1435390147.db2.gz JBUAUXIEMLXFEL-UHFFFAOYSA-N 1 1 398.419 3.303 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC000278526984 1435397429 /nfs/dbraw/zinc/39/74/29/1435397429.db2.gz RDENLYFWXWYCNV-UHFFFAOYSA-N 1 1 377.347 3.260 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC000278534596 1435397885 /nfs/dbraw/zinc/39/78/85/1435397885.db2.gz HZXYBTKIQDLXTN-UHFFFAOYSA-N 1 1 377.347 3.260 20 5 GGBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]2CO)cn1 ZINC000278661471 1435411428 /nfs/dbraw/zinc/41/14/28/1435411428.db2.gz KORAZZXMFSIMOE-YJBOKZPZSA-N 1 1 398.488 3.265 20 5 GGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278802544 1435425035 /nfs/dbraw/zinc/42/50/35/1435425035.db2.gz GAVHQYYUJFULLE-HNNXBMFYSA-N 1 1 397.479 3.334 20 5 GGBDMO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000278856962 1435432041 /nfs/dbraw/zinc/43/20/41/1435432041.db2.gz GCSFIZBDSHAPQP-MWLCHTKSSA-N 1 1 391.371 3.161 20 5 GGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000279095335 1435459858 /nfs/dbraw/zinc/45/98/58/1435459858.db2.gz UHXRWCOZFFLNBQ-GFCCVEGCSA-N 1 1 388.390 3.097 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000279578831 1435515286 /nfs/dbraw/zinc/51/52/86/1435515286.db2.gz BGOVXJXMFDWLPS-INIZCTEOSA-N 1 1 392.374 3.281 20 5 GGBDMO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279717627 1435534438 /nfs/dbraw/zinc/53/44/38/1435534438.db2.gz QOTKLBBKEVIIDC-GASCZTMLSA-N 1 1 387.386 3.077 20 5 GGBDMO C[C@@H]1OCC[C@@]12C[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C[C@@H](C)O2 ZINC000279787394 1435543169 /nfs/dbraw/zinc/54/31/69/1435543169.db2.gz OALHQKCJIIKVJM-QEEYODRMSA-N 1 1 387.436 3.061 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000279998059 1435574407 /nfs/dbraw/zinc/57/44/07/1435574407.db2.gz KXVYOWYZRBBISG-GJZGRUSLSA-N 1 1 375.469 3.376 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c2c(c1)COCO2 ZINC000280716074 1435708515 /nfs/dbraw/zinc/70/85/15/1435708515.db2.gz BTZITNDWSLXJLP-QRVBRYPASA-N 1 1 376.453 3.367 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000280768810 1435716677 /nfs/dbraw/zinc/71/66/77/1435716677.db2.gz BOGFWMNHCDJCKR-INIZCTEOSA-N 1 1 387.436 3.462 20 5 GGBDMO Cc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280943244 1435745266 /nfs/dbraw/zinc/74/52/66/1435745266.db2.gz WHULVCJJBZUMDC-DNVCBOLYSA-N 1 1 376.478 3.476 20 5 GGBDMO O=c1[nH]c(NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000280947464 1435745960 /nfs/dbraw/zinc/74/59/60/1435745960.db2.gz JGVVPNQGOXQIAS-INIZCTEOSA-N 1 1 383.408 3.476 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000281085473 1435771451 /nfs/dbraw/zinc/77/14/51/1435771451.db2.gz RXVRLHCHQLBBFX-IEBWSBKVSA-N 1 1 381.432 3.360 20 5 GGBDMO Cc1nn(CCC(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c(C)c1[N+](=O)[O-] ZINC000281499938 1435811373 /nfs/dbraw/zinc/81/13/73/1435811373.db2.gz HUGRPIRWZONFED-UHFFFAOYSA-N 1 1 379.848 3.152 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000283303149 1435883583 /nfs/dbraw/zinc/88/35/83/1435883583.db2.gz VVZDWBGZYLENEE-UHFFFAOYSA-N 1 1 385.420 3.381 20 5 GGBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283527989 1435894046 /nfs/dbraw/zinc/89/40/46/1435894046.db2.gz NOBFLEPYOWRJHR-OAHLLOKOSA-N 1 1 394.435 3.197 20 5 GGBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H](C)O1 ZINC000284117150 1435993240 /nfs/dbraw/zinc/99/32/40/1435993240.db2.gz UAUYQDUACNSOAO-MGPQQGTHSA-N 1 1 396.875 3.354 20 5 GGBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000284117156 1435993570 /nfs/dbraw/zinc/99/35/70/1435993570.db2.gz UAUYQDUACNSOAO-MJBXVCDLSA-N 1 1 396.875 3.354 20 5 GGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000284117156 1435993587 /nfs/dbraw/zinc/99/35/87/1435993587.db2.gz UAUYQDUACNSOAO-MJBXVCDLSA-N 1 1 396.875 3.354 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284298718 1436010904 /nfs/dbraw/zinc/01/09/04/1436010904.db2.gz GOHCRCMJDYSBCF-CQSZACIVSA-N 1 1 392.475 3.433 20 5 GGBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2 ZINC001164649723 719306850 /nfs/dbraw/zinc/30/68/50/719306850.db2.gz XBGRONJQDDRHOY-UHFFFAOYSA-N 1 1 378.864 3.045 20 5 GGBDMO Cc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccc1[N+](=O)[O-] ZINC001164697473 719886641 /nfs/dbraw/zinc/88/66/41/719886641.db2.gz BZBVWIGGLJPTGG-UHFFFAOYSA-N 1 1 388.493 3.231 20 5 GGBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695332 719888854 /nfs/dbraw/zinc/88/88/54/719888854.db2.gz OIPLFNFBIQRDCT-UHFFFAOYSA-N 1 1 392.456 3.062 20 5 GGBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695332 719888856 /nfs/dbraw/zinc/88/88/56/719888856.db2.gz OIPLFNFBIQRDCT-UHFFFAOYSA-N 1 1 392.456 3.062 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001164807040 720110404 /nfs/dbraw/zinc/11/04/04/720110404.db2.gz ASYXNNCFKYVCSN-JTSKRJEESA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001164807038 720110813 /nfs/dbraw/zinc/11/08/13/720110813.db2.gz ASYXNNCFKYVCSN-HTAPYJJXSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001164807045 720110856 /nfs/dbraw/zinc/11/08/56/720110856.db2.gz ASYXNNCFKYVCSN-VGSWGCGISA-N 1 1 396.491 3.328 20 5 GGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2c1 ZINC001164725421 720366330 /nfs/dbraw/zinc/36/63/30/720366330.db2.gz NHXFDWPAWTYJCB-VQTJNVASSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2c1 ZINC001164725417 720366674 /nfs/dbraw/zinc/36/66/74/720366674.db2.gz NHXFDWPAWTYJCB-PMACEKPBSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c2ccccc21 ZINC001164726983 720373845 /nfs/dbraw/zinc/37/38/45/720373845.db2.gz QAOUONJCMRSQMT-RTBURBONSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164725696 720423837 /nfs/dbraw/zinc/42/38/37/720423837.db2.gz AQHYXTOWNKXUAS-UXHICEINSA-N 1 1 375.432 3.391 20 5 GGBDMO Cc1c(C)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164835841 720556076 /nfs/dbraw/zinc/55/60/76/720556076.db2.gz IDSVQKPPUPDTSY-GUDVDZBRSA-N 1 1 398.511 3.181 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164839176 720556120 /nfs/dbraw/zinc/55/61/20/720556120.db2.gz PSJJIQSDWPDJKG-GBESFXJTSA-N 1 1 398.511 3.181 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164837576 720671861 /nfs/dbraw/zinc/67/18/61/720671861.db2.gz DBZJVRPVEYUCCP-GOSISDBHSA-N 1 1 382.464 3.250 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc(Cl)n1)[C@H]2C ZINC001164858454 720921353 /nfs/dbraw/zinc/92/13/53/720921353.db2.gz NJTYVQZTCHAQSO-LBPRGKRZSA-N 1 1 378.864 3.261 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc(Cl)n1)[C@@H]2C ZINC001164858453 720921400 /nfs/dbraw/zinc/92/14/00/720921400.db2.gz NJTYVQZTCHAQSO-GFCCVEGCSA-N 1 1 378.864 3.261 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)[C@H]2C ZINC001164863699 720931939 /nfs/dbraw/zinc/93/19/39/720931939.db2.gz YSEOYENDBYSCNK-AWEZNQCLSA-N 1 1 395.467 3.156 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)[C@@H]2C ZINC001164856173 720936759 /nfs/dbraw/zinc/93/67/59/720936759.db2.gz CCSWJOKIELQDOD-CQSZACIVSA-N 1 1 395.467 3.156 20 5 GGBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@H]3C2)cn1 ZINC001164770376 721096015 /nfs/dbraw/zinc/09/60/15/721096015.db2.gz PVQNVGDMNHSFSR-LEWJYISDSA-N 1 1 398.514 3.475 20 5 GGBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nn2)ccc1F ZINC001164775020 721301583 /nfs/dbraw/zinc/30/15/83/721301583.db2.gz MRPJDYXDWQANDX-UHFFFAOYSA-N 1 1 383.427 3.113 20 5 GGBDMO Cc1cc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164785900 721399831 /nfs/dbraw/zinc/39/98/31/721399831.db2.gz NNXORAUGHTUTFK-HUUCEWRRSA-N 1 1 395.488 3.476 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909254 721538842 /nfs/dbraw/zinc/53/88/42/721538842.db2.gz RAXGBYJLIRLXNW-FUHWJXTLSA-N 1 1 386.427 3.088 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909244 721538992 /nfs/dbraw/zinc/53/89/92/721538992.db2.gz RAXGBYJLIRLXNW-AEFFLSMTSA-N 1 1 386.427 3.088 20 5 GGBDMO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165025423 721800737 /nfs/dbraw/zinc/80/07/37/721800737.db2.gz OCYHFRKWDRXIAU-XKGZKEIXSA-N 1 1 381.480 3.430 20 5 GGBDMO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165025421 721800863 /nfs/dbraw/zinc/80/08/63/721800863.db2.gz OCYHFRKWDRXIAU-ILZDJORESA-N 1 1 381.480 3.430 20 5 GGBDMO Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165028804 721805504 /nfs/dbraw/zinc/80/55/04/721805504.db2.gz ZSLRFMBQVABGIC-YTQUADARSA-N 1 1 381.480 3.430 20 5 GGBDMO COc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165028256 721809286 /nfs/dbraw/zinc/80/92/86/721809286.db2.gz WTDIABOSZJUGJD-RYQLBKOJSA-N 1 1 397.479 3.130 20 5 GGBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164928840 721859795 /nfs/dbraw/zinc/85/97/95/721859795.db2.gz OPQUSQPPVMGIGZ-HZPDHXFCSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164928840 721859796 /nfs/dbraw/zinc/85/97/96/721859796.db2.gz OPQUSQPPVMGIGZ-HZPDHXFCSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164928839 721859914 /nfs/dbraw/zinc/85/99/14/721859914.db2.gz OPQUSQPPVMGIGZ-HOTGVXAUSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164928839 721859916 /nfs/dbraw/zinc/85/99/16/721859916.db2.gz OPQUSQPPVMGIGZ-HOTGVXAUSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164934135 721880428 /nfs/dbraw/zinc/88/04/28/721880428.db2.gz PPNLWMPPFUBIGC-SJORKVTESA-N 1 1 389.887 3.011 20 5 GGBDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164934135 721880430 /nfs/dbraw/zinc/88/04/30/721880430.db2.gz PPNLWMPPFUBIGC-SJORKVTESA-N 1 1 389.887 3.011 20 5 GGBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165042435 721924837 /nfs/dbraw/zinc/92/48/37/721924837.db2.gz FAVZYXBMJVTRSR-AWEZNQCLSA-N 1 1 376.844 3.097 20 5 GGBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164955246 722019331 /nfs/dbraw/zinc/01/93/31/722019331.db2.gz BTBZZIWHSHFRTM-UHFFFAOYSA-N 1 1 392.463 3.359 20 5 GGBDMO CC(C)c1cccc2c1CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1[N+](=O)[O-])C2 ZINC001574420215 948793453 /nfs/dbraw/zinc/79/34/53/948793453.db2.gz QKKILVOPPWXSOD-UHFFFAOYSA-N 1 1 378.436 3.457 20 5 GGBDMO CC(C)c1cccc2c1CC[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1[N+](=O)[O-])C2 ZINC001574420215 948793463 /nfs/dbraw/zinc/79/34/63/948793463.db2.gz QKKILVOPPWXSOD-UHFFFAOYSA-N 1 1 378.436 3.457 20 5 GGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001575516982 949222636 /nfs/dbraw/zinc/22/26/36/949222636.db2.gz SHMJSYQTDKGGQX-OCCSQVGLSA-N 1 1 397.414 3.161 20 5 GGBDMO C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001589306562 953746763 /nfs/dbraw/zinc/74/67/63/953746763.db2.gz YGGRNWQIZKQPIN-VQIMIIECSA-N 1 1 389.496 3.034 20 5 GGBDMO C[C@@H](C(=O)[O-])[N@@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001589486403 987028090 /nfs/dbraw/zinc/02/80/90/987028090.db2.gz NXXXNUJSJPGMIO-INIZCTEOSA-N 1 1 389.496 3.177 20 5 GGBDMO CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001590670646 990373035 /nfs/dbraw/zinc/37/30/35/990373035.db2.gz DRAHVICFJBRECN-UHFFFAOYSA-N 1 1 393.484 3.193 20 5 GGBDMO C[C@@H]1CC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@H](C(=O)[O-])C1 ZINC001594419006 999563823 /nfs/dbraw/zinc/56/38/23/999563823.db2.gz MZWVNZAMZFHVBS-UZLBHIALSA-N 1 1 389.496 3.034 20 5 GGBDMO C[C@H]1CC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C(=O)[O-])C1 ZINC001594419004 999563892 /nfs/dbraw/zinc/56/38/92/999563892.db2.gz MZWVNZAMZFHVBS-OXJNMPFZSA-N 1 1 389.496 3.034 20 5 GGBDMO COc1cc(C[N@@H+]2CCOC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000359865323 206265937 /nfs/dbraw/zinc/26/59/37/206265937.db2.gz DJWHOBXLGYEZMK-NSHDSACASA-N 1 1 378.347 3.013 20 5 GGBDMO COc1cc(C[N@H+]2CCOC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000359865323 206265941 /nfs/dbraw/zinc/26/59/41/206265941.db2.gz DJWHOBXLGYEZMK-NSHDSACASA-N 1 1 378.347 3.013 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012748285 206930899 /nfs/dbraw/zinc/93/08/99/206930899.db2.gz IIBPZOMYPLJJEO-MRXNPFEDSA-N 1 1 377.828 3.290 20 5 GGBDMO CC[N@@H+](CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000095457702 208185348 /nfs/dbraw/zinc/18/53/48/208185348.db2.gz KCWFUDCTXIIYHF-UHFFFAOYSA-N 1 1 395.525 3.118 20 5 GGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])sc2C1 ZINC000119159063 564256773 /nfs/dbraw/zinc/25/67/73/564256773.db2.gz USRTVADHEPIWHF-UHFFFAOYSA-N 1 1 378.479 3.404 20 5 GGBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])sc2C1 ZINC000119159063 564256775 /nfs/dbraw/zinc/25/67/75/564256775.db2.gz USRTVADHEPIWHF-UHFFFAOYSA-N 1 1 378.479 3.404 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000119652608 564282138 /nfs/dbraw/zinc/28/21/38/564282138.db2.gz ZNKHJPXCOYJHNS-VXGBXAGGSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000119689992 564283084 /nfs/dbraw/zinc/28/30/84/564283084.db2.gz HIWOGVJTRZGKFV-FRRDWIJNSA-N 1 1 398.301 3.454 20 5 GGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000120936856 564344232 /nfs/dbraw/zinc/34/42/32/564344232.db2.gz XUKGBHNQGGTTOA-AWEZNQCLSA-N 1 1 398.301 3.233 20 5 GGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000121576914 564375834 /nfs/dbraw/zinc/37/58/34/564375834.db2.gz IDBFHOQBRRHSFP-LLVKDONJSA-N 1 1 382.258 3.104 20 5 GGBDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000030435287 564380486 /nfs/dbraw/zinc/38/04/86/564380486.db2.gz ITNOOVGOOPQPJS-MRXNPFEDSA-N 1 1 383.495 3.018 20 5 GGBDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000030435214 564380552 /nfs/dbraw/zinc/38/05/52/564380552.db2.gz ZRQHETLOAZYAFI-HNNXBMFYSA-N 1 1 383.495 3.018 20 5 GGBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000032441040 564400782 /nfs/dbraw/zinc/40/07/82/564400782.db2.gz DMKKEKOEBGSPSG-NEPJUHHUSA-N 1 1 389.905 3.098 20 5 GGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122472653 564415718 /nfs/dbraw/zinc/41/57/18/564415718.db2.gz KHKYKMQVRMEDMP-AWEZNQCLSA-N 1 1 384.274 3.304 20 5 GGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122951085 564433397 /nfs/dbraw/zinc/43/33/97/564433397.db2.gz SJWZFPYGVXNAPB-ZIAGYGMSSA-N 1 1 382.258 3.056 20 5 GGBDMO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000043771607 564461871 /nfs/dbraw/zinc/46/18/71/564461871.db2.gz XKWAXAGYNHBSSC-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000043771607 564461874 /nfs/dbraw/zinc/46/18/74/564461874.db2.gz XKWAXAGYNHBSSC-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO Cc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000125086495 564502520 /nfs/dbraw/zinc/50/25/20/564502520.db2.gz AUYCAPKSURGLPF-IINYFYTJSA-N 1 1 384.274 3.078 20 5 GGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000125912879 564531025 /nfs/dbraw/zinc/53/10/25/564531025.db2.gz BYSOFBRSTMUYRT-LBPRGKRZSA-N 1 1 384.274 3.080 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000126963046 564568784 /nfs/dbraw/zinc/56/87/84/564568784.db2.gz LGMDGQDERZFSJI-KGLIPLIRSA-N 1 1 396.285 3.365 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000127120077 564574159 /nfs/dbraw/zinc/57/41/59/564574159.db2.gz GXESDTFPXPPGHJ-SKDRFNHKSA-N 1 1 382.258 3.021 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000127773075 564595392 /nfs/dbraw/zinc/59/53/92/564595392.db2.gz QIAYVXVQDUBIHB-WFASDCNBSA-N 1 1 396.285 3.222 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000127914459 564601012 /nfs/dbraw/zinc/60/10/12/564601012.db2.gz PZSBCGUWKPUQTB-SWLSCSKDSA-N 1 1 396.285 3.222 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000134456410 564803357 /nfs/dbraw/zinc/80/33/57/564803357.db2.gz GKCOMAOBTPJPAQ-JTQLQIEISA-N 1 1 375.376 3.146 20 5 GGBDMO CSCC[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000138213127 564864846 /nfs/dbraw/zinc/86/48/46/564864846.db2.gz UJWQBVZNSAMQQT-NSHDSACASA-N 1 1 380.495 3.340 20 5 GGBDMO CSCC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000138213127 564864848 /nfs/dbraw/zinc/86/48/48/564864848.db2.gz UJWQBVZNSAMQQT-NSHDSACASA-N 1 1 380.495 3.340 20 5 GGBDMO CSCC[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000138213254 564865001 /nfs/dbraw/zinc/86/50/01/564865001.db2.gz UJWQBVZNSAMQQT-LLVKDONJSA-N 1 1 380.495 3.340 20 5 GGBDMO CSCC[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000138213254 564865002 /nfs/dbraw/zinc/86/50/02/564865002.db2.gz UJWQBVZNSAMQQT-LLVKDONJSA-N 1 1 380.495 3.340 20 5 GGBDMO COCC[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000093005894 564883402 /nfs/dbraw/zinc/88/34/02/564883402.db2.gz VNQHEXPCYNYTRT-UHFFFAOYSA-N 1 1 399.241 3.058 20 5 GGBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000093613480 564887684 /nfs/dbraw/zinc/88/76/84/564887684.db2.gz BXCTXKAXBOGTDD-CVEARBPZSA-N 1 1 399.285 3.109 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(O)ccc3Br)C2)nc1 ZINC000093534648 564887836 /nfs/dbraw/zinc/88/78/36/564887836.db2.gz XFJVJSXVEJEJAU-GFCCVEGCSA-N 1 1 393.241 3.144 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(O)ccc3Br)C2)nc1 ZINC000093534648 564887840 /nfs/dbraw/zinc/88/78/40/564887840.db2.gz XFJVJSXVEJEJAU-GFCCVEGCSA-N 1 1 393.241 3.144 20 5 GGBDMO CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CO)c1cccc(Br)c1 ZINC000093815433 564890680 /nfs/dbraw/zinc/89/06/80/564890680.db2.gz UWJZMSNSYWBAGF-INIZCTEOSA-N 1 1 381.226 3.228 20 5 GGBDMO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000152452305 564959686 /nfs/dbraw/zinc/95/96/86/564959686.db2.gz WKHOJSVDACQDLR-WBMJQRKESA-N 1 1 395.257 3.016 20 5 GGBDMO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000152452305 564959689 /nfs/dbraw/zinc/95/96/89/564959689.db2.gz WKHOJSVDACQDLR-WBMJQRKESA-N 1 1 395.257 3.016 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000152611145 564965525 /nfs/dbraw/zinc/96/55/25/564965525.db2.gz CNUDQXGUGHQISN-ZDUSSCGKSA-N 1 1 396.285 3.033 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000107801832 565002496 /nfs/dbraw/zinc/00/24/96/565002496.db2.gz IQGSUWXDWRQOJF-NSHDSACASA-N 1 1 375.210 3.096 20 5 GGBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000154006465 565021952 /nfs/dbraw/zinc/02/19/52/565021952.db2.gz FQTGJXPHZUSGTB-CQSZACIVSA-N 1 1 395.253 3.229 20 5 GGBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ncc([N+](=O)[O-])cc1Br ZINC000154577382 565044860 /nfs/dbraw/zinc/04/48/60/565044860.db2.gz ASMMXKGMYGGBOU-UHFFFAOYSA-N 1 1 394.229 3.036 20 5 GGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155107194 565061765 /nfs/dbraw/zinc/06/17/65/565061765.db2.gz IDBWKEWZKVNCRJ-LLVKDONJSA-N 1 1 385.262 3.163 20 5 GGBDMO Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C[NH+](C)C)c1 ZINC000114054156 565072192 /nfs/dbraw/zinc/07/21/92/565072192.db2.gz MHQRGQYGDTXMJI-UHFFFAOYSA-N 1 1 383.857 3.419 20 5 GGBDMO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000292797412 565134372 /nfs/dbraw/zinc/13/43/72/565134372.db2.gz NAPVLKTZVIFGHO-CYBMUJFWSA-N 1 1 380.491 3.190 20 5 GGBDMO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000292797412 565134376 /nfs/dbraw/zinc/13/43/76/565134376.db2.gz NAPVLKTZVIFGHO-CYBMUJFWSA-N 1 1 380.491 3.190 20 5 GGBDMO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000292797415 565134516 /nfs/dbraw/zinc/13/45/16/565134516.db2.gz NAPVLKTZVIFGHO-ZDUSSCGKSA-N 1 1 380.491 3.190 20 5 GGBDMO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000292797415 565134522 /nfs/dbraw/zinc/13/45/22/565134522.db2.gz NAPVLKTZVIFGHO-ZDUSSCGKSA-N 1 1 380.491 3.190 20 5 GGBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267951162 565135885 /nfs/dbraw/zinc/13/58/85/565135885.db2.gz WNBLPMUMFIXKJV-UHFFFAOYSA-N 1 1 388.237 3.053 20 5 GGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000268278320 565146005 /nfs/dbraw/zinc/14/60/05/565146005.db2.gz XRDPHIWSSOSVIT-GFCCVEGCSA-N 1 1 384.274 3.065 20 5 GGBDMO CCN(C)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000185185973 565186086 /nfs/dbraw/zinc/18/60/86/565186086.db2.gz SHZJNPPVVYDHAB-UHFFFAOYSA-N 1 1 396.241 3.185 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269711127 565197951 /nfs/dbraw/zinc/19/79/51/565197951.db2.gz TWWBPWYLNZBEJQ-UHFFFAOYSA-N 1 1 399.220 3.164 20 5 GGBDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000269989113 565205723 /nfs/dbraw/zinc/20/57/23/565205723.db2.gz QPVCDEKQFVMATH-UHFFFAOYSA-N 1 1 382.218 3.074 20 5 GGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000372296128 565230197 /nfs/dbraw/zinc/23/01/97/565230197.db2.gz CJFWUYKIZIEOSX-INIZCTEOSA-N 1 1 390.237 3.274 20 5 GGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000372296128 565230201 /nfs/dbraw/zinc/23/02/01/565230201.db2.gz CJFWUYKIZIEOSX-INIZCTEOSA-N 1 1 390.237 3.274 20 5 GGBDMO C[N@@H+]1CC=C(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000271885483 565270798 /nfs/dbraw/zinc/27/07/98/565270798.db2.gz CXNNOODHIQSVND-UHFFFAOYSA-N 1 1 388.649 3.002 20 5 GGBDMO C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272792395 565298183 /nfs/dbraw/zinc/29/81/83/565298183.db2.gz CLBQTURPBBRUMW-VXGBXAGGSA-N 1 1 387.527 3.125 20 5 GGBDMO C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272792395 565298190 /nfs/dbraw/zinc/29/81/90/565298190.db2.gz CLBQTURPBBRUMW-VXGBXAGGSA-N 1 1 387.527 3.125 20 5 GGBDMO CC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000272822497 565298651 /nfs/dbraw/zinc/29/86/51/565298651.db2.gz JCGCZVHJMGOCIJ-HNNXBMFYSA-N 1 1 383.857 3.137 20 5 GGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000373778755 565302720 /nfs/dbraw/zinc/30/27/20/565302720.db2.gz CUKXQFWEMJWZIN-AWEZNQCLSA-N 1 1 390.237 3.274 20 5 GGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000373778755 565302723 /nfs/dbraw/zinc/30/27/23/565302723.db2.gz CUKXQFWEMJWZIN-AWEZNQCLSA-N 1 1 390.237 3.274 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000273158478 565310791 /nfs/dbraw/zinc/31/07/91/565310791.db2.gz YUDYDGGCJSQSEN-HNNXBMFYSA-N 1 1 381.226 3.189 20 5 GGBDMO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)Cc1ccsc1 ZINC000187784503 565354602 /nfs/dbraw/zinc/35/46/02/565354602.db2.gz WRDPOLJCWIEPDT-AWEZNQCLSA-N 1 1 382.507 3.383 20 5 GGBDMO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)Cc1ccsc1 ZINC000187784503 565354604 /nfs/dbraw/zinc/35/46/04/565354604.db2.gz WRDPOLJCWIEPDT-AWEZNQCLSA-N 1 1 382.507 3.383 20 5 GGBDMO COc1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c([N+](=O)[O-])cc1F ZINC000274292230 565364994 /nfs/dbraw/zinc/36/49/94/565364994.db2.gz HAPSBZXNUCCDQF-CQSZACIVSA-N 1 1 399.216 3.328 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000375042805 565365498 /nfs/dbraw/zinc/36/54/98/565365498.db2.gz NBPOOJCTDOFKCY-RYUDHWBXSA-N 1 1 382.258 3.022 20 5 GGBDMO O=C(NCc1c[nH+]c2n1CCCC2)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000375409306 565385952 /nfs/dbraw/zinc/38/59/52/565385952.db2.gz RXPBZXYHASVRSJ-UHFFFAOYSA-N 1 1 394.229 3.212 20 5 GGBDMO C[N@@H+](C[C@@H](O)c1cccc(Br)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000298034090 565395938 /nfs/dbraw/zinc/39/59/38/565395938.db2.gz CMRFAIOOYDQDEZ-IAGOWNOFSA-N 1 1 395.253 3.056 20 5 GGBDMO C[N@@H+](C[C@H](O)c1cccc(Br)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000298034083 565396139 /nfs/dbraw/zinc/39/61/39/565396139.db2.gz CMRFAIOOYDQDEZ-DLBZAZTESA-N 1 1 395.253 3.056 20 5 GGBDMO C[N@@H+](C[C@H](O)c1cccc(Br)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000298034098 565396454 /nfs/dbraw/zinc/39/64/54/565396454.db2.gz CMRFAIOOYDQDEZ-IRXDYDNUSA-N 1 1 395.253 3.056 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3ccccc3)CC2)c(Br)c1 ZINC000301544165 565495245 /nfs/dbraw/zinc/49/52/45/565495245.db2.gz OSYBBEKJNWVTCB-UHFFFAOYSA-N 1 1 391.269 3.465 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3ccccc3)CC2)c(Br)c1 ZINC000301544165 565495248 /nfs/dbraw/zinc/49/52/48/565495248.db2.gz OSYBBEKJNWVTCB-UHFFFAOYSA-N 1 1 391.269 3.465 20 5 GGBDMO C[C@H]1C[NH+](C(C)(C)CNc2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301694741 565506158 /nfs/dbraw/zinc/50/61/58/565506158.db2.gz PBNQCEJOAPMZMB-QWRGUYRKSA-N 1 1 387.278 3.052 20 5 GGBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301779146 565509055 /nfs/dbraw/zinc/50/90/55/565509055.db2.gz MLDGEIWFFXQTOP-SMDDNHRTSA-N 1 1 381.274 3.205 20 5 GGBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301779145 565509384 /nfs/dbraw/zinc/50/93/84/565509384.db2.gz MLDGEIWFFXQTOP-FZMZJTMJSA-N 1 1 381.274 3.205 20 5 GGBDMO Cc1ccc([C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000301936507 565519951 /nfs/dbraw/zinc/51/99/51/565519951.db2.gz QEMJIVDZOMUGRB-CQSZACIVSA-N 1 1 383.495 3.083 20 5 GGBDMO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378286165 565520225 /nfs/dbraw/zinc/52/02/25/565520225.db2.gz RXLUNHJMNUDVHV-NWDGAFQWSA-N 1 1 383.246 3.106 20 5 GGBDMO CCCNC(=O)C[NH+]1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302019498 565525247 /nfs/dbraw/zinc/52/52/47/565525247.db2.gz HCVNKUMBZWIKGZ-UHFFFAOYSA-N 1 1 389.283 3.304 20 5 GGBDMO C[NH+]1CCN(CCC(C)(C)Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000302278975 565539363 /nfs/dbraw/zinc/53/93/63/565539363.db2.gz UINGFYZTOPDXNH-UHFFFAOYSA-N 1 1 385.306 3.185 20 5 GGBDMO C[C@H](O)C[N@H+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000302384274 565541366 /nfs/dbraw/zinc/54/13/66/565541366.db2.gz AJJQWTHUBSWNPD-ZJUUUORDSA-N 1 1 381.782 3.158 20 5 GGBDMO CC1(C)CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302518588 565544555 /nfs/dbraw/zinc/54/45/55/565544555.db2.gz HXKLXGLNZZCGHC-UHFFFAOYSA-N 1 1 381.782 3.160 20 5 GGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302652988 565548613 /nfs/dbraw/zinc/54/86/13/565548613.db2.gz GZJJUSMKSKGUGK-ZDUSSCGKSA-N 1 1 399.333 3.351 20 5 GGBDMO Cc1cc(N[C@H](C)CCN2CC[NH+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302666165 565549050 /nfs/dbraw/zinc/54/90/50/565549050.db2.gz JISLFCOSOOMFSK-CYBMUJFWSA-N 1 1 385.306 3.104 20 5 GGBDMO Cc1cc(N2CC[NH+](CC3CCOCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302688737 565551156 /nfs/dbraw/zinc/55/11/56/565551156.db2.gz RCYODZNCSSAOBJ-UHFFFAOYSA-N 1 1 398.301 3.214 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173810405 565588746 /nfs/dbraw/zinc/58/87/46/565588746.db2.gz BVUGZOOXHWHWSY-GFCCVEGCSA-N 1 1 384.274 3.161 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000174740645 565654610 /nfs/dbraw/zinc/65/46/10/565654610.db2.gz RDKUSOFAFKETOY-CQSZACIVSA-N 1 1 385.251 3.124 20 5 GGBDMO CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174740400 565654711 /nfs/dbraw/zinc/65/47/11/565654711.db2.gz VOXSDSBPLKWKIL-AWEZNQCLSA-N 1 1 387.267 3.370 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192378399 565683343 /nfs/dbraw/zinc/68/33/43/565683343.db2.gz VZPRMNSWSBHIQY-NEPJUHHUSA-N 1 1 382.258 3.056 20 5 GGBDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000280617488 565683746 /nfs/dbraw/zinc/68/37/46/565683746.db2.gz WHSOKISRWLYKBU-WDEREUQCSA-N 1 1 393.241 3.430 20 5 GGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(Br)cc1 ZINC000192639765 565703183 /nfs/dbraw/zinc/70/31/83/565703183.db2.gz DCFXAQVZEDUHIA-HNNXBMFYSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(Br)cc1 ZINC000192639765 565703190 /nfs/dbraw/zinc/70/31/90/565703190.db2.gz DCFXAQVZEDUHIA-HNNXBMFYSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@@H+](Cc1ccccc1Br)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315829 565744522 /nfs/dbraw/zinc/74/45/22/565744522.db2.gz ZXVXPAJKOFPEJH-CQSZACIVSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@H+](Cc1ccccc1Br)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315829 565744529 /nfs/dbraw/zinc/74/45/29/565744529.db2.gz ZXVXPAJKOFPEJH-CQSZACIVSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1(c2ccc(Br)cc2)CC1 ZINC000176260816 565760995 /nfs/dbraw/zinc/76/09/95/565760995.db2.gz IDGLSKWODHXAQS-UHFFFAOYSA-N 1 1 379.258 3.217 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000331530324 565765203 /nfs/dbraw/zinc/76/52/03/565765203.db2.gz PEJOPCBVNCJXAL-KOLCDFICSA-N 1 1 382.258 3.021 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000331530367 565765473 /nfs/dbraw/zinc/76/54/73/565765473.db2.gz PEJOPCBVNCJXAL-ONGXEEELSA-N 1 1 382.258 3.021 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000331901885 565792076 /nfs/dbraw/zinc/79/20/76/565792076.db2.gz GXQKHKOQQGMHND-GFCCVEGCSA-N 1 1 396.285 3.412 20 5 GGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000331948013 565795405 /nfs/dbraw/zinc/79/54/05/565795405.db2.gz OEJCXHJETFFGMD-GFCCVEGCSA-N 1 1 382.258 3.104 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177024517 565824042 /nfs/dbraw/zinc/82/40/42/565824042.db2.gz ALDYSCUOIGBHKX-VXGBXAGGSA-N 1 1 384.274 3.208 20 5 GGBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000332435675 565836755 /nfs/dbraw/zinc/83/67/55/565836755.db2.gz GYRFIRGFDNZZLS-UHFFFAOYSA-N 1 1 393.241 3.340 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332524970 565842507 /nfs/dbraw/zinc/84/25/07/565842507.db2.gz BQGSTNWGXVFFHL-YPMHNXCESA-N 1 1 396.285 3.365 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332524964 565842945 /nfs/dbraw/zinc/84/29/45/565842945.db2.gz BQGSTNWGXVFFHL-AAEUAGOBSA-N 1 1 396.285 3.365 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177349948 565844512 /nfs/dbraw/zinc/84/45/12/565844512.db2.gz MCJODOHGBNJKNX-GFCCVEGCSA-N 1 1 384.274 3.161 20 5 GGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000332597136 565846159 /nfs/dbraw/zinc/84/61/59/565846159.db2.gz PPCMDSXOSHIRGQ-CHWSQXEVSA-N 1 1 396.285 3.365 20 5 GGBDMO Cc1c(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000332608414 565847814 /nfs/dbraw/zinc/84/78/14/565847814.db2.gz FJJZEEOKRCRUAP-MFKMUULPSA-N 1 1 397.273 3.366 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000284541404 565857326 /nfs/dbraw/zinc/85/73/26/565857326.db2.gz DARWTCMRGKGOOW-NSHDSACASA-N 1 1 382.258 3.046 20 5 GGBDMO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)nc1 ZINC000413612208 565863082 /nfs/dbraw/zinc/86/30/82/565863082.db2.gz FHEQOMNPZWSXAN-UHFFFAOYSA-N 1 1 392.257 3.224 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177790204 565874390 /nfs/dbraw/zinc/87/43/90/565874390.db2.gz OBKWCWUXBITZPZ-YPMHNXCESA-N 1 1 382.258 3.056 20 5 GGBDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000195568681 565890262 /nfs/dbraw/zinc/89/02/62/565890262.db2.gz KTYIBIYXQOTSGG-INIZCTEOSA-N 1 1 383.495 3.018 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179569516 565990397 /nfs/dbraw/zinc/99/03/97/565990397.db2.gz DAHJRBIOVGYXNE-GFCCVEGCSA-N 1 1 375.516 3.126 20 5 GGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246158473 566018855 /nfs/dbraw/zinc/01/88/55/566018855.db2.gz HIWOGVJTRZGKFV-XQQFMLRXSA-N 1 1 398.301 3.454 20 5 GGBDMO C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000287542885 566024929 /nfs/dbraw/zinc/02/49/29/566024929.db2.gz BQYCPZJNIOEXJB-NHYWBVRUSA-N 1 1 383.495 3.163 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000246685113 566037223 /nfs/dbraw/zinc/03/72/23/566037223.db2.gz HYDJNYZSBFIYBK-CJNGLKHVSA-N 1 1 385.251 3.296 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000246685113 566037226 /nfs/dbraw/zinc/03/72/26/566037226.db2.gz HYDJNYZSBFIYBK-CJNGLKHVSA-N 1 1 385.251 3.296 20 5 GGBDMO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000247014627 566049877 /nfs/dbraw/zinc/04/98/77/566049877.db2.gz LTGSVXVZXRBKMS-NWDGAFQWSA-N 1 1 384.274 3.208 20 5 GGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000180553059 566072212 /nfs/dbraw/zinc/07/22/12/566072212.db2.gz WIZHXISWECKKPO-LBPRGKRZSA-N 1 1 384.274 3.208 20 5 GGBDMO Cc1c(Cl)cc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000248168974 566073544 /nfs/dbraw/zinc/07/35/44/566073544.db2.gz UIOYNIYLJQTTFA-LBPRGKRZSA-N 1 1 389.905 3.099 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180589861 566075968 /nfs/dbraw/zinc/07/59/68/566075968.db2.gz QZRUMFKXFVRWED-UHFFFAOYSA-N 1 1 381.230 3.025 20 5 GGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000248461514 566078842 /nfs/dbraw/zinc/07/88/42/566078842.db2.gz VBGLXWNRGSNQOF-TZMCWYRMSA-N 1 1 383.901 3.283 20 5 GGBDMO Cc1nc(-c2cc3c(s2)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C3)cs1 ZINC000180877010 566096871 /nfs/dbraw/zinc/09/68/71/566096871.db2.gz OJCKYKOAKXZUGG-UHFFFAOYSA-N 1 1 375.479 3.343 20 5 GGBDMO Cc1nc(-c2cc3c(s2)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C3)cs1 ZINC000180877010 566096877 /nfs/dbraw/zinc/09/68/77/566096877.db2.gz OJCKYKOAKXZUGG-UHFFFAOYSA-N 1 1 375.479 3.343 20 5 GGBDMO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000181027762 566107276 /nfs/dbraw/zinc/10/72/76/566107276.db2.gz POBHJRGFPNPVIS-NSHDSACASA-N 1 1 383.857 3.007 20 5 GGBDMO COCCOCCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289522248 566127742 /nfs/dbraw/zinc/12/77/42/566127742.db2.gz MPYRBBNDGCDAEQ-UHFFFAOYSA-N 1 1 381.256 3.013 20 5 GGBDMO COCCOCCOCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289522248 566127749 /nfs/dbraw/zinc/12/77/49/566127749.db2.gz MPYRBBNDGCDAEQ-UHFFFAOYSA-N 1 1 381.256 3.013 20 5 GGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(O)ccc3Br)CC2)n1 ZINC000365985911 566129927 /nfs/dbraw/zinc/12/99/27/566129927.db2.gz DKADGLIKHAOVMK-UHFFFAOYSA-N 1 1 381.230 3.097 20 5 GGBDMO CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCC1 ZINC000291490783 566222831 /nfs/dbraw/zinc/22/28/31/566222831.db2.gz GMTZKQFEJUOCMN-UHFFFAOYSA-N 1 1 381.281 3.349 20 5 GGBDMO C[N@@H+]1CCN(CCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000291696053 566230662 /nfs/dbraw/zinc/23/06/62/566230662.db2.gz YNNUYUGOERETHS-UHFFFAOYSA-N 1 1 375.300 3.017 20 5 GGBDMO C[N@H+]1CCN(CCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000291696053 566230665 /nfs/dbraw/zinc/23/06/65/566230665.db2.gz YNNUYUGOERETHS-UHFFFAOYSA-N 1 1 375.300 3.017 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000555810323 566252843 /nfs/dbraw/zinc/25/28/43/566252843.db2.gz RESXNWMDAWKLMK-GFCCVEGCSA-N 1 1 384.274 3.126 20 5 GGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599597687 566278983 /nfs/dbraw/zinc/27/89/83/566278983.db2.gz KWMAJDSFJDRSGA-LBPRGKRZSA-N 1 1 384.274 3.304 20 5 GGBDMO O=[N+]([O-])c1cc(I)cc(CNc2[nH]c3ccccc3[nH+]2)c1 ZINC000575633247 566279040 /nfs/dbraw/zinc/27/90/40/566279040.db2.gz BCDZZSRYXYFHJY-UHFFFAOYSA-N 1 1 394.172 3.110 20 5 GGBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000535277085 566292609 /nfs/dbraw/zinc/29/26/09/566292609.db2.gz NKIOYSVZSVOMTL-OAHLLOKOSA-N 1 1 390.237 3.274 20 5 GGBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000535277085 566292617 /nfs/dbraw/zinc/29/26/17/566292617.db2.gz NKIOYSVZSVOMTL-OAHLLOKOSA-N 1 1 390.237 3.274 20 5 GGBDMO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000462439272 566302397 /nfs/dbraw/zinc/30/23/97/566302397.db2.gz WZBFFPJPRAEBPK-UHFFFAOYSA-N 1 1 396.296 3.054 20 5 GGBDMO CC(C)[NH+](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000462469034 566307646 /nfs/dbraw/zinc/30/76/46/566307646.db2.gz APDFXLHNKCHWSO-UHFFFAOYSA-N 1 1 398.312 3.299 20 5 GGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCOc2ccc(Br)cc21 ZINC000445884497 566317192 /nfs/dbraw/zinc/31/71/92/566317192.db2.gz JQWBBFAJQCKEGS-ZDUSSCGKSA-N 1 1 381.230 3.009 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000576286056 566332347 /nfs/dbraw/zinc/33/23/47/566332347.db2.gz HEBWKZHLMCZOMM-CYBMUJFWSA-N 1 1 398.301 3.373 20 5 GGBDMO Cc1c(Br)cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600313906 566332872 /nfs/dbraw/zinc/33/28/72/566332872.db2.gz LJOYASKPDWNQJU-GFCCVEGCSA-N 1 1 384.274 3.127 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420973528 566334586 /nfs/dbraw/zinc/33/45/86/566334586.db2.gz NMHUPMAQBXHLMY-CYBMUJFWSA-N 1 1 379.258 3.298 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420973528 566334590 /nfs/dbraw/zinc/33/45/90/566334590.db2.gz NMHUPMAQBXHLMY-CYBMUJFWSA-N 1 1 379.258 3.298 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446259206 566338541 /nfs/dbraw/zinc/33/85/41/566338541.db2.gz UILDOIAFCUNPCD-CYBMUJFWSA-N 1 1 398.301 3.090 20 5 GGBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000576500632 566352294 /nfs/dbraw/zinc/35/22/94/566352294.db2.gz RJFAMRWLEIEWOI-SECBINFHSA-N 1 1 396.216 3.446 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000556985329 566353192 /nfs/dbraw/zinc/35/31/92/566353192.db2.gz ZGFPWPFRKQPYJF-GFCCVEGCSA-N 1 1 384.274 3.268 20 5 GGBDMO Cc1c(Br)cc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000510440574 566382296 /nfs/dbraw/zinc/38/22/96/566382296.db2.gz DSMMVZRWADZHCP-UHFFFAOYSA-N 1 1 379.214 3.379 20 5 GGBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000558457611 566474953 /nfs/dbraw/zinc/47/49/53/566474953.db2.gz YRVQGHXTVLJBOH-LLVKDONJSA-N 1 1 390.221 3.058 20 5 GGBDMO CN(C)C(=O)c1cccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c1 ZINC000602512841 566475963 /nfs/dbraw/zinc/47/59/63/566475963.db2.gz ZGZGFBLBHNDVKH-UHFFFAOYSA-N 1 1 398.282 3.410 20 5 GGBDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000538098825 566492286 /nfs/dbraw/zinc/49/22/86/566492286.db2.gz LGJDCZVRRKUWFF-TZMCWYRMSA-N 1 1 391.269 3.422 20 5 GGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000538098825 566492288 /nfs/dbraw/zinc/49/22/88/566492288.db2.gz LGJDCZVRRKUWFF-TZMCWYRMSA-N 1 1 391.269 3.422 20 5 GGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000558732455 566502332 /nfs/dbraw/zinc/50/23/32/566502332.db2.gz MMAGWXQDYXGXFI-INIZCTEOSA-N 1 1 392.253 3.058 20 5 GGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000558732455 566502334 /nfs/dbraw/zinc/50/23/34/566502334.db2.gz MMAGWXQDYXGXFI-INIZCTEOSA-N 1 1 392.253 3.058 20 5 GGBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000578383479 566517800 /nfs/dbraw/zinc/51/78/00/566517800.db2.gz RMGKCKYTINOOHB-NSHDSACASA-N 1 1 391.269 3.224 20 5 GGBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000603864642 566544382 /nfs/dbraw/zinc/54/43/82/566544382.db2.gz GKFAQIIHZVDCBR-CHWSQXEVSA-N 1 1 391.269 3.366 20 5 GGBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000486033934 566551723 /nfs/dbraw/zinc/55/17/23/566551723.db2.gz ZPFNYGSZOREDFX-LBPRGKRZSA-N 1 1 384.274 3.047 20 5 GGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000579524741 566615994 /nfs/dbraw/zinc/61/59/94/566615994.db2.gz PTIOWLAHVSEWEC-LBPRGKRZSA-N 1 1 386.290 3.136 20 5 GGBDMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425411229 566640197 /nfs/dbraw/zinc/64/01/97/566640197.db2.gz YEEHKXYMEIHYCQ-AWEZNQCLSA-N 1 1 396.285 3.096 20 5 GGBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425411229 566640202 /nfs/dbraw/zinc/64/02/02/566640202.db2.gz YEEHKXYMEIHYCQ-AWEZNQCLSA-N 1 1 396.285 3.096 20 5 GGBDMO C[C@@H]1C[N@H+](C2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000425406271 566640416 /nfs/dbraw/zinc/64/04/16/566640416.db2.gz MKPBXVBDOGFJPA-CYBMUJFWSA-N 1 1 398.301 3.042 20 5 GGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000425447922 566645323 /nfs/dbraw/zinc/64/53/23/566645323.db2.gz QESBQEVQFDTMFH-SFHVURJKSA-N 1 1 391.265 3.493 20 5 GGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000425447922 566645327 /nfs/dbraw/zinc/64/53/27/566645327.db2.gz QESBQEVQFDTMFH-SFHVURJKSA-N 1 1 391.265 3.493 20 5 GGBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425469777 566646845 /nfs/dbraw/zinc/64/68/45/566646845.db2.gz FDJCRQSMPYUBBJ-ZDUSSCGKSA-N 1 1 398.301 3.042 20 5 GGBDMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425479083 566646863 /nfs/dbraw/zinc/64/68/63/566646863.db2.gz PUVCPOUNBZLADE-HNNXBMFYSA-N 1 1 396.285 3.334 20 5 GGBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425479083 566646865 /nfs/dbraw/zinc/64/68/65/566646865.db2.gz PUVCPOUNBZLADE-HNNXBMFYSA-N 1 1 396.285 3.334 20 5 GGBDMO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000487092831 566647701 /nfs/dbraw/zinc/64/77/01/566647701.db2.gz IFHRGLPXROWJKL-GHMZBOCLSA-N 1 1 396.296 3.053 20 5 GGBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000425480610 566649104 /nfs/dbraw/zinc/64/91/04/566649104.db2.gz PFSPEXRLKZYFKF-INIZCTEOSA-N 1 1 379.254 3.393 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000540590003 566659297 /nfs/dbraw/zinc/65/92/97/566659297.db2.gz DZLQBQBCCMORDX-UHFFFAOYSA-N 1 1 384.267 3.310 20 5 GGBDMO C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000467758389 566662280 /nfs/dbraw/zinc/66/22/80/566662280.db2.gz IOUJOFMTMMLRQS-VIFPVBQESA-N 1 1 398.312 3.156 20 5 GGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCSCC1 ZINC000487675237 566687247 /nfs/dbraw/zinc/68/72/47/566687247.db2.gz QSDJJQXTVFOSLZ-UHFFFAOYSA-N 1 1 383.539 3.122 20 5 GGBDMO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000468457463 566703320 /nfs/dbraw/zinc/70/33/20/566703320.db2.gz BLDCJSVOMCZLRH-JTQLQIEISA-N 1 1 390.303 3.269 20 5 GGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000468457463 566703326 /nfs/dbraw/zinc/70/33/26/566703326.db2.gz BLDCJSVOMCZLRH-JTQLQIEISA-N 1 1 390.303 3.269 20 5 GGBDMO CC[N@@H+](CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000427197605 566755788 /nfs/dbraw/zinc/75/57/88/566755788.db2.gz DFCZEEGHKXEWIX-UHFFFAOYSA-N 1 1 379.404 3.321 20 5 GGBDMO Cc1cc(NC(=O)C[NH2+]Cc2csc([N+](=O)[O-])c2)ccc1Br ZINC000562081553 566764630 /nfs/dbraw/zinc/76/46/30/566764630.db2.gz PKQSIDYTTOZTGE-UHFFFAOYSA-N 1 1 384.255 3.456 20 5 GGBDMO O=C(NCC(F)(F)F)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000541999877 566767802 /nfs/dbraw/zinc/76/78/02/566767802.db2.gz BPRPHUJKEPYYMQ-UHFFFAOYSA-N 1 1 379.766 3.139 20 5 GGBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1Br ZINC000610044429 566800412 /nfs/dbraw/zinc/80/04/12/566800412.db2.gz OAGXLTDTUBIQOY-UHFFFAOYSA-N 1 1 388.181 3.190 20 5 GGBDMO COc1ccc(Br)cc1C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000610704379 566853970 /nfs/dbraw/zinc/85/39/70/566853970.db2.gz SXLSJFZCRPJWKM-UHFFFAOYSA-N 1 1 383.246 3.003 20 5 GGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000470237389 566857757 /nfs/dbraw/zinc/85/77/57/566857757.db2.gz MJVNBTHHFXOCCQ-ZDUSSCGKSA-N 1 1 396.285 3.161 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(Cl)c2Cl)cc1 ZINC000543621419 566894989 /nfs/dbraw/zinc/89/49/89/566894989.db2.gz PBLJZVQVJCDUBG-UHFFFAOYSA-N 1 1 389.260 3.465 20 5 GGBDMO O=[N+]([O-])c1cc(I)ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000611370602 566912384 /nfs/dbraw/zinc/91/23/84/566912384.db2.gz YHRBHIBJOOIQTD-JTQLQIEISA-N 1 1 398.204 3.307 20 5 GGBDMO CCCNC(=O)C[NH+]1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000429213067 566914382 /nfs/dbraw/zinc/91/43/82/566914382.db2.gz AZNPVROSUDKOEU-UHFFFAOYSA-N 1 1 389.283 3.304 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000430231534 567000537 /nfs/dbraw/zinc/00/05/37/567000537.db2.gz YTOLBJMICKCHIQ-UHFFFAOYSA-N 1 1 395.257 3.400 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000430235435 567002367 /nfs/dbraw/zinc/00/23/67/567002367.db2.gz YLMDARYCIPUYDN-UHFFFAOYSA-N 1 1 395.253 3.360 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000430235435 567002369 /nfs/dbraw/zinc/00/23/69/567002369.db2.gz YLMDARYCIPUYDN-UHFFFAOYSA-N 1 1 395.253 3.360 20 5 GGBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430909702 567040980 /nfs/dbraw/zinc/04/09/80/567040980.db2.gz PHVGBDXAQGDFJI-UHFFFAOYSA-N 1 1 388.181 3.190 20 5 GGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431789626 567107506 /nfs/dbraw/zinc/10/75/06/567107506.db2.gz BOAVBFDKMRMIBD-RYUDHWBXSA-N 1 1 384.274 3.208 20 5 GGBDMO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000432339316 567151403 /nfs/dbraw/zinc/15/14/03/567151403.db2.gz YPRUZUYVGZFBPO-UHFFFAOYSA-N 1 1 381.782 3.339 20 5 GGBDMO C[N@H+]1CC[C@]2(CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C2)C1 ZINC000589879251 567195788 /nfs/dbraw/zinc/19/57/88/567195788.db2.gz XSVJOAFZGVCKEC-KRWDZBQOSA-N 1 1 391.269 3.438 20 5 GGBDMO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433187507 567229754 /nfs/dbraw/zinc/22/97/54/567229754.db2.gz AKJPUUQUKXJDNQ-ZDUSSCGKSA-N 1 1 387.889 3.031 20 5 GGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433187507 567229761 /nfs/dbraw/zinc/22/97/61/567229761.db2.gz AKJPUUQUKXJDNQ-ZDUSSCGKSA-N 1 1 387.889 3.031 20 5 GGBDMO NC(=O)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000475431860 567248696 /nfs/dbraw/zinc/24/86/96/567248696.db2.gz PNPSIVLYIAFYDD-RRGWEWPQSA-N 1 1 390.237 3.187 20 5 GGBDMO NC(=O)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000475431858 567248782 /nfs/dbraw/zinc/24/87/82/567248782.db2.gz PNPSIVLYIAFYDD-IEXSPKMKSA-N 1 1 390.237 3.187 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+](CCO)[C@@H]3CCCSC3)cs2)c1 ZINC000475514536 567254390 /nfs/dbraw/zinc/25/43/90/567254390.db2.gz QIQJCLNOKPRPEB-MRXNPFEDSA-N 1 1 379.507 3.408 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+](CCO)[C@@H]3CCCSC3)cs2)c1 ZINC000475514536 567254395 /nfs/dbraw/zinc/25/43/95/567254395.db2.gz QIQJCLNOKPRPEB-MRXNPFEDSA-N 1 1 379.507 3.408 20 5 GGBDMO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)cn1 ZINC000591845193 567302236 /nfs/dbraw/zinc/30/22/36/567302236.db2.gz KQINAPYVJMGSLC-LBPRGKRZSA-N 1 1 379.258 3.155 20 5 GGBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)cn1 ZINC000591845193 567302241 /nfs/dbraw/zinc/30/22/41/567302241.db2.gz KQINAPYVJMGSLC-LBPRGKRZSA-N 1 1 379.258 3.155 20 5 GGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434443187 567308372 /nfs/dbraw/zinc/30/83/72/567308372.db2.gz VLHDUJBCCKCTCF-AWEZNQCLSA-N 1 1 383.901 3.473 20 5 GGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000434437149 567308461 /nfs/dbraw/zinc/30/84/61/567308461.db2.gz NAEKFQRRNVSZLY-CYBMUJFWSA-N 1 1 382.258 3.104 20 5 GGBDMO Cc1c(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435326249 567355884 /nfs/dbraw/zinc/35/58/84/567355884.db2.gz CEHFQVFDMCUOCO-ZYHUDNBSSA-N 1 1 385.262 3.270 20 5 GGBDMO Cc1cc(NC(=O)C[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1Br ZINC000568899818 567364984 /nfs/dbraw/zinc/36/49/84/567364984.db2.gz WGFMFJSKWFIINC-UHFFFAOYSA-N 1 1 378.226 3.394 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000502099257 567420005 /nfs/dbraw/zinc/42/00/05/567420005.db2.gz PLSVQRDBRMYLSG-GFCCVEGCSA-N 1 1 379.258 3.224 20 5 GGBDMO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cn2cc[nH+]c12 ZINC000502769511 567450255 /nfs/dbraw/zinc/45/02/55/567450255.db2.gz YLQOQFOUHAWZMV-UHFFFAOYSA-N 1 1 389.209 3.495 20 5 GGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594195345 567464866 /nfs/dbraw/zinc/46/48/66/567464866.db2.gz FYYISTBJNDIIRA-HUUCEWRRSA-N 1 1 382.258 3.104 20 5 GGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000594195750 567464961 /nfs/dbraw/zinc/46/49/61/567464961.db2.gz ISTVZVQQRCFKDQ-HUUCEWRRSA-N 1 1 382.258 3.104 20 5 GGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594195344 567465034 /nfs/dbraw/zinc/46/50/34/567465034.db2.gz FYYISTBJNDIIRA-GJZGRUSLSA-N 1 1 382.258 3.104 20 5 GGBDMO Cc1c(Br)cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458187130 567530530 /nfs/dbraw/zinc/53/05/30/567530530.db2.gz HYIWMKIHLXZCLH-LBPRGKRZSA-N 1 1 384.274 3.127 20 5 GGBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595591046 567572954 /nfs/dbraw/zinc/57/29/54/567572954.db2.gz CIKUIIRQVYNNDB-INIZCTEOSA-N 1 1 379.254 3.393 20 5 GGBDMO C[N@H+](Cc1cccnc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572169496 567618157 /nfs/dbraw/zinc/61/81/57/567618157.db2.gz VCWOSTMZXWXPHX-UHFFFAOYSA-N 1 1 383.189 3.226 20 5 GGBDMO C[N@@H+](Cc1cccnc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572169496 567618162 /nfs/dbraw/zinc/61/81/62/567618162.db2.gz VCWOSTMZXWXPHX-UHFFFAOYSA-N 1 1 383.189 3.226 20 5 GGBDMO Cc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)c(Br)cc1[N+](=O)[O-] ZINC000440648719 567637277 /nfs/dbraw/zinc/63/72/77/567637277.db2.gz KHAUWZLCHCZFRI-UHFFFAOYSA-N 1 1 385.306 3.104 20 5 GGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000531188510 567645184 /nfs/dbraw/zinc/64/51/84/567645184.db2.gz BAAAOIMHPQDZNK-UHFFFAOYSA-N 1 1 384.274 3.304 20 5 GGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507279423 567673028 /nfs/dbraw/zinc/67/30/28/567673028.db2.gz MCRBHXUFSHZPGQ-LBPRGKRZSA-N 1 1 389.905 3.037 20 5 GGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507279421 567673178 /nfs/dbraw/zinc/67/31/78/567673178.db2.gz MCRBHXUFSHZPGQ-GFCCVEGCSA-N 1 1 389.905 3.037 20 5 GGBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000597605005 567707339 /nfs/dbraw/zinc/70/73/39/567707339.db2.gz MJAOWMJDGQGNQC-CYBMUJFWSA-N 1 1 384.274 3.222 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597710449 567712806 /nfs/dbraw/zinc/71/28/06/567712806.db2.gz MKIGARQAIZCMQA-QGZVFWFLSA-N 1 1 396.285 3.224 20 5 GGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597860274 567720655 /nfs/dbraw/zinc/72/06/55/567720655.db2.gz MXEVPEVJGVEYMY-LBPRGKRZSA-N 1 1 398.301 3.136 20 5 GGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597860273 567720908 /nfs/dbraw/zinc/72/09/08/567720908.db2.gz MXEVPEVJGVEYMY-GFCCVEGCSA-N 1 1 398.301 3.136 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597924451 567726534 /nfs/dbraw/zinc/72/65/34/567726534.db2.gz RVTAYNSLQRYLBN-LLVKDONJSA-N 1 1 384.274 3.268 20 5 GGBDMO CSCCC[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573965623 567747576 /nfs/dbraw/zinc/74/75/76/567747576.db2.gz YJQVCJJQQJUMCO-UHFFFAOYSA-N 1 1 380.251 3.384 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598558034 567777088 /nfs/dbraw/zinc/77/70/88/567777088.db2.gz BPMBDHJGKHBPKA-CYBMUJFWSA-N 1 1 396.285 3.209 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000598972429 567801929 /nfs/dbraw/zinc/80/19/29/567801929.db2.gz RIJSZCXFHWYDPF-UHFFFAOYSA-N 1 1 394.396 3.239 20 5 GGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599220937 567810898 /nfs/dbraw/zinc/81/08/98/567810898.db2.gz VCXXWKHXXXLYNF-LBPRGKRZSA-N 1 1 384.274 3.208 20 5 GGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000054620084 570984949 /nfs/dbraw/zinc/98/49/49/570984949.db2.gz CMIHUDSKZGXANO-INIZCTEOSA-N 1 1 388.471 3.112 20 5 GGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)o1 ZINC000738369258 598315681 /nfs/dbraw/zinc/31/56/81/598315681.db2.gz JSJMMTVCMBNRLL-UHFFFAOYSA-N 1 1 394.366 3.464 20 5 GGBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@H]1c1cccs1 ZINC000821623548 599582031 /nfs/dbraw/zinc/58/20/31/599582031.db2.gz NCZVLAJGKNPUCU-SJCJKPOMSA-N 1 1 399.480 3.331 20 5 GGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000820668577 606199587 /nfs/dbraw/zinc/19/95/87/606199587.db2.gz VANMCHRRSUWSHZ-GOEBONIOSA-N 1 1 393.451 3.240 20 5 GGBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821230543 606314809 /nfs/dbraw/zinc/31/48/09/606314809.db2.gz NADAFGMLJACLJW-GFCCVEGCSA-N 1 1 393.407 3.499 20 5 GGBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821230543 606314810 /nfs/dbraw/zinc/31/48/10/606314810.db2.gz NADAFGMLJACLJW-GFCCVEGCSA-N 1 1 393.407 3.499 20 5 GGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C2CC2)c1 ZINC000823647246 607177012 /nfs/dbraw/zinc/17/70/12/607177012.db2.gz ISQHHPAEVHCIBI-UHFFFAOYSA-N 1 1 394.435 3.208 20 5 GGBDMO O=[N+]([O-])c1ccccc1C=CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826500391 608519834 /nfs/dbraw/zinc/51/98/34/608519834.db2.gz WXKDKSWDPHPHDQ-HWKANZROSA-N 1 1 376.420 3.453 20 5 GGBDMO C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824647624 609432549 /nfs/dbraw/zinc/43/25/49/609432549.db2.gz ABAYVNWYDDPFBQ-YOEHRIQHSA-N 1 1 393.451 3.097 20 5 GGBDMO CC1CCC([N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)CC1 ZINC000053170412 1406313797 /nfs/dbraw/zinc/31/37/97/1406313797.db2.gz MZIITVMNGGNVBF-UHFFFAOYSA-N 1 1 375.425 3.305 20 5 GGBDMO Cc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053279510 1406352952 /nfs/dbraw/zinc/35/29/52/1406352952.db2.gz RDWREQJGVFPUIW-MRXNPFEDSA-N 1 1 383.404 3.408 20 5 GGBDMO Cc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053279510 1406352963 /nfs/dbraw/zinc/35/29/63/1406352963.db2.gz RDWREQJGVFPUIW-MRXNPFEDSA-N 1 1 383.404 3.408 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000053369767 1406380014 /nfs/dbraw/zinc/38/00/14/1406380014.db2.gz NZYGAKKDGZDRFY-INIZCTEOSA-N 1 1 385.468 3.165 20 5 GGBDMO CNC(=O)c1ccc(NC[C@@H](c2ccccc2Cl)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053550972 1406440794 /nfs/dbraw/zinc/44/07/94/1406440794.db2.gz WJLVHTHDBVOPHB-KRWDZBQOSA-N 1 1 376.844 3.323 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000053686288 1406479552 /nfs/dbraw/zinc/47/95/52/1406479552.db2.gz MXDCMBSFCHYWGL-DOTOQJQBSA-N 1 1 389.477 3.017 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000053686288 1406479557 /nfs/dbraw/zinc/47/95/57/1406479557.db2.gz MXDCMBSFCHYWGL-DOTOQJQBSA-N 1 1 389.477 3.017 20 5 GGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053811673 1406520420 /nfs/dbraw/zinc/52/04/20/1406520420.db2.gz BVJKOYZCGXWVKD-MRXNPFEDSA-N 1 1 399.495 3.237 20 5 GGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000054223730 1406657169 /nfs/dbraw/zinc/65/71/69/1406657169.db2.gz BTNAZULRJVLFED-ZFWWWQNUSA-N 1 1 379.420 3.036 20 5 GGBDMO C[N@@H+](CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000054281590 1406677295 /nfs/dbraw/zinc/67/72/95/1406677295.db2.gz BUCQDSIQEYFMTC-UHFFFAOYSA-N 1 1 382.464 3.057 20 5 GGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000054286407 1406680799 /nfs/dbraw/zinc/68/07/99/1406680799.db2.gz XXUMQKWNVUIASL-OAHLLOKOSA-N 1 1 385.468 3.021 20 5 GGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000054287234 1406681670 /nfs/dbraw/zinc/68/16/70/1406681670.db2.gz WUSZBKQSUGMIJT-OAHLLOKOSA-N 1 1 399.495 3.236 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000054318693 1406689623 /nfs/dbraw/zinc/68/96/23/1406689623.db2.gz OXLJIJAONJIENE-UHFFFAOYSA-N 1 1 388.512 3.430 20 5 GGBDMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000054521451 1406761840 /nfs/dbraw/zinc/76/18/40/1406761840.db2.gz BHMGVXPRRIAZLL-ZDUSSCGKSA-N 1 1 390.465 3.068 20 5 GGBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000054521451 1406761854 /nfs/dbraw/zinc/76/18/54/1406761854.db2.gz BHMGVXPRRIAZLL-ZDUSSCGKSA-N 1 1 390.465 3.068 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054646728 1406795041 /nfs/dbraw/zinc/79/50/41/1406795041.db2.gz IGTPSPAKKIQMMG-CALCHBBNSA-N 1 1 376.501 3.195 20 5 GGBDMO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000054676859 1406803203 /nfs/dbraw/zinc/80/32/03/1406803203.db2.gz OUYHWOUWPIEMRD-FZMZJTMJSA-N 1 1 384.396 3.277 20 5 GGBDMO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000054676859 1406803209 /nfs/dbraw/zinc/80/32/09/1406803209.db2.gz OUYHWOUWPIEMRD-FZMZJTMJSA-N 1 1 384.396 3.277 20 5 GGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000054718268 1406812265 /nfs/dbraw/zinc/81/22/65/1406812265.db2.gz BBHSJZBDCAQTTJ-APWZRJJASA-N 1 1 397.479 3.141 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000055095843 1406883595 /nfs/dbraw/zinc/88/35/95/1406883595.db2.gz OLIALJQXGIUTLN-UHFFFAOYSA-N 1 1 383.448 3.098 20 5 GGBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000055207541 1406902223 /nfs/dbraw/zinc/90/22/23/1406902223.db2.gz INZVFPLTPCNKES-UHFFFAOYSA-N 1 1 383.448 3.017 20 5 GGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000055325771 1406930496 /nfs/dbraw/zinc/93/04/96/1406930496.db2.gz RRGRZRHLTGQIET-UHFFFAOYSA-N 1 1 397.475 3.407 20 5 GGBDMO Cc1cccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000008131630 1398806638 /nfs/dbraw/zinc/80/66/38/1398806638.db2.gz QMSBFTNIMQKWTN-KRWDZBQOSA-N 1 1 382.464 3.048 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008169805 1398810361 /nfs/dbraw/zinc/81/03/61/1398810361.db2.gz JKNAJAQDXFXPEJ-KRWDZBQOSA-N 1 1 388.512 3.192 20 5 GGBDMO C[N@@H+](CCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000009919861 1398870844 /nfs/dbraw/zinc/87/08/44/1398870844.db2.gz DSGJYUSFULYZOB-UHFFFAOYSA-N 1 1 382.464 3.421 20 5 GGBDMO Cc1c(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000009982470 1398872350 /nfs/dbraw/zinc/87/23/50/1398872350.db2.gz ACDZZJXRKWASSA-UHFFFAOYSA-N 1 1 386.408 3.063 20 5 GGBDMO O=[N+]([O-])c1cc(CN2CCC[N@@H+](Cc3ccccc3)CC2)c2c(c1)COCO2 ZINC000009986660 1398872785 /nfs/dbraw/zinc/87/27/85/1398872785.db2.gz VIBHIXOWGUYYHX-UHFFFAOYSA-N 1 1 383.448 3.169 20 5 GGBDMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000010228897 1398881847 /nfs/dbraw/zinc/88/18/47/1398881847.db2.gz LAQBXWWHJNLEJG-IBGZPJMESA-N 1 1 381.432 3.330 20 5 GGBDMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000010228897 1398881848 /nfs/dbraw/zinc/88/18/48/1398881848.db2.gz LAQBXWWHJNLEJG-IBGZPJMESA-N 1 1 381.432 3.330 20 5 GGBDMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000010340295 1398887400 /nfs/dbraw/zinc/88/74/00/1398887400.db2.gz ZRJGPZFLZBZUOQ-OAQYLSRUSA-N 1 1 394.475 3.081 20 5 GGBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc2c(c1)OCO2 ZINC000011351380 1398971789 /nfs/dbraw/zinc/97/17/89/1398971789.db2.gz RFPZDCGVNNRDNS-UHFFFAOYSA-N 1 1 391.811 3.438 20 5 GGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc2c(c1)OCO2 ZINC000011351380 1398971790 /nfs/dbraw/zinc/97/17/90/1398971790.db2.gz RFPZDCGVNNRDNS-UHFFFAOYSA-N 1 1 391.811 3.438 20 5 GGBDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000012994848 1399071714 /nfs/dbraw/zinc/07/17/14/1399071714.db2.gz WRJUEHXZBWOZRG-KRWDZBQOSA-N 1 1 385.420 3.048 20 5 GGBDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000012994848 1399071720 /nfs/dbraw/zinc/07/17/20/1399071720.db2.gz WRJUEHXZBWOZRG-KRWDZBQOSA-N 1 1 385.420 3.048 20 5 GGBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccc2)C1=O ZINC000014307849 1399097378 /nfs/dbraw/zinc/09/73/78/1399097378.db2.gz XOCDLXAWUBDFNJ-WIYYLYMNSA-N 1 1 394.431 3.156 20 5 GGBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccc2)C1=O ZINC000014307849 1399097384 /nfs/dbraw/zinc/09/73/84/1399097384.db2.gz XOCDLXAWUBDFNJ-WIYYLYMNSA-N 1 1 394.431 3.156 20 5 GGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015550707 1399171297 /nfs/dbraw/zinc/17/12/97/1399171297.db2.gz PXBQBUPSYQSARM-HNNXBMFYSA-N 1 1 396.447 3.273 20 5 GGBDMO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+]2CCCC2)cc1 ZINC000017911587 1399294881 /nfs/dbraw/zinc/29/48/81/1399294881.db2.gz YTOZPJCVTJCQEO-HNNXBMFYSA-N 1 1 375.450 3.232 20 5 GGBDMO Cc1cc(OCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000021481563 1399384641 /nfs/dbraw/zinc/38/46/41/1399384641.db2.gz UDSCAXFDIARXIX-KRWDZBQOSA-N 1 1 383.448 3.187 20 5 GGBDMO Cc1cc(OCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000021481560 1399384745 /nfs/dbraw/zinc/38/47/45/1399384745.db2.gz UDSCAXFDIARXIX-QGZVFWFLSA-N 1 1 383.448 3.187 20 5 GGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000022976578 1399521369 /nfs/dbraw/zinc/52/13/69/1399521369.db2.gz MUBLQZYWCWLTRC-KFWWJZLASA-N 1 1 395.525 3.079 20 5 GGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000023409760 1399557430 /nfs/dbraw/zinc/55/74/30/1399557430.db2.gz CIPSBAKWMOZVNW-SFHVURJKSA-N 1 1 395.381 3.469 20 5 GGBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000055643896 1407039325 /nfs/dbraw/zinc/03/93/25/1407039325.db2.gz ODXXHWXBEXSBJJ-UHFFFAOYSA-N 1 1 384.461 3.138 20 5 GGBDMO COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000023985057 1399594150 /nfs/dbraw/zinc/59/41/50/1399594150.db2.gz CZXURDUSKAHXJF-MRXNPFEDSA-N 1 1 377.828 3.290 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000025420350 1399807213 /nfs/dbraw/zinc/80/72/13/1399807213.db2.gz CGZZFVOEPZDDRY-QGZVFWFLSA-N 1 1 382.464 3.048 20 5 GGBDMO CNc1ccc(C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025535312 1399817768 /nfs/dbraw/zinc/81/77/68/1399817768.db2.gz VYFXNMIRFBSJQA-OAQYLSRUSA-N 1 1 396.491 3.449 20 5 GGBDMO Cc1cccc(C[NH+]2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)c1 ZINC000025922549 1399846641 /nfs/dbraw/zinc/84/66/41/1399846641.db2.gz KOGKGJIZPKSUSX-UHFFFAOYSA-N 1 1 393.447 3.271 20 5 GGBDMO C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000025939598 1399848215 /nfs/dbraw/zinc/84/82/15/1399848215.db2.gz SIHZCLYFCCPWNQ-HNNXBMFYSA-N 1 1 385.489 3.250 20 5 GGBDMO C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000025941283 1399848536 /nfs/dbraw/zinc/84/85/36/1399848536.db2.gz OCIKZOKSEATMED-QGZVFWFLSA-N 1 1 396.491 3.350 20 5 GGBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)O1 ZINC000025973290 1399850638 /nfs/dbraw/zinc/85/06/38/1399850638.db2.gz OLZKLFTVRFIXCL-BETUJISGSA-N 1 1 377.466 3.039 20 5 GGBDMO CCOc1ccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000026223072 1399871002 /nfs/dbraw/zinc/87/10/02/1399871002.db2.gz ZYRXPHZBXBDIID-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000026227873 1399871386 /nfs/dbraw/zinc/87/13/86/1399871386.db2.gz SFWNEZHKMGEWHV-UHFFFAOYSA-N 1 1 385.420 3.135 20 5 GGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000026256657 1399874157 /nfs/dbraw/zinc/87/41/57/1399874157.db2.gz YJQJSXILRRVULX-UHFFFAOYSA-N 1 1 391.399 3.212 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000026336778 1399879277 /nfs/dbraw/zinc/87/92/77/1399879277.db2.gz NFJYVXPKEAIGOA-UHFFFAOYSA-N 1 1 391.399 3.082 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000026336775 1399879298 /nfs/dbraw/zinc/87/92/98/1399879298.db2.gz QGWJSONBSDQFDU-UHFFFAOYSA-N 1 1 391.399 3.082 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000026336788 1399879323 /nfs/dbraw/zinc/87/93/23/1399879323.db2.gz BYQVVQDTJWZRRV-UHFFFAOYSA-N 1 1 375.400 3.382 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000026715722 1399924711 /nfs/dbraw/zinc/92/47/11/1399924711.db2.gz HTMJYGLXPIAMCT-WMZOPIPTSA-N 1 1 392.477 3.077 20 5 GGBDMO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1Cl ZINC000026854929 1399942155 /nfs/dbraw/zinc/94/21/55/1399942155.db2.gz KJRIANQBRQISMY-JTQLQIEISA-N 1 1 377.784 3.266 20 5 GGBDMO CCOc1cc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000055749255 1407073634 /nfs/dbraw/zinc/07/36/34/1407073634.db2.gz NURSXKZDENDAQE-QLFBSQMISA-N 1 1 393.484 3.098 20 5 GGBDMO COc1ccc2cc(C[N@H+](C)Cc3ccc(C(N)=O)cc3[N+](=O)[O-])ccc2c1 ZINC000027365671 1400026165 /nfs/dbraw/zinc/02/61/65/1400026165.db2.gz RULQRZQELNXNLM-UHFFFAOYSA-N 1 1 379.416 3.488 20 5 GGBDMO COc1ccc2cc(C[N@@H+](C)Cc3ccc(C(N)=O)cc3[N+](=O)[O-])ccc2c1 ZINC000027365671 1400026173 /nfs/dbraw/zinc/02/61/73/1400026173.db2.gz RULQRZQELNXNLM-UHFFFAOYSA-N 1 1 379.416 3.488 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027569504 1400058975 /nfs/dbraw/zinc/05/89/75/1400058975.db2.gz OSKYFGIVCBTZFU-INIZCTEOSA-N 1 1 396.447 3.192 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027569504 1400058981 /nfs/dbraw/zinc/05/89/81/1400058981.db2.gz OSKYFGIVCBTZFU-INIZCTEOSA-N 1 1 396.447 3.192 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027569502 1400059875 /nfs/dbraw/zinc/05/98/75/1400059875.db2.gz OSKYFGIVCBTZFU-MRXNPFEDSA-N 1 1 396.447 3.192 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027569502 1400059885 /nfs/dbraw/zinc/05/98/85/1400059885.db2.gz OSKYFGIVCBTZFU-MRXNPFEDSA-N 1 1 396.447 3.192 20 5 GGBDMO CCc1ccc([C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[NH+](C)C)cc1 ZINC000027952413 1400109938 /nfs/dbraw/zinc/10/99/38/1400109938.db2.gz ULQXHFKEOSIEDH-SFHVURJKSA-N 1 1 391.493 3.047 20 5 GGBDMO CC(C)NC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000028707155 1400188246 /nfs/dbraw/zinc/18/82/46/1400188246.db2.gz QEYQSBGECIQXNS-UHFFFAOYSA-N 1 1 382.464 3.055 20 5 GGBDMO CC(C)NC(=O)c1ccc(N2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000028741089 1400190982 /nfs/dbraw/zinc/19/09/82/1400190982.db2.gz QJEPHCUHJAULRT-UHFFFAOYSA-N 1 1 388.493 3.117 20 5 GGBDMO CC(C)NC(=O)c1ccc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000028936829 1400214203 /nfs/dbraw/zinc/21/42/03/1400214203.db2.gz CRKZLQNFYYUZHR-GJZGRUSLSA-N 1 1 392.500 3.033 20 5 GGBDMO CC(C)NC(=O)c1ccc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000028936827 1400214246 /nfs/dbraw/zinc/21/42/46/1400214246.db2.gz CRKZLQNFYYUZHR-GASCZTMLSA-N 1 1 392.500 3.033 20 5 GGBDMO CC(C)NC(=O)c1ccc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000028936827 1400214257 /nfs/dbraw/zinc/21/42/57/1400214257.db2.gz CRKZLQNFYYUZHR-GASCZTMLSA-N 1 1 392.500 3.033 20 5 GGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3ccc4ccccc4c3)CC2)cn1 ZINC000029224985 1400261406 /nfs/dbraw/zinc/26/14/06/1400261406.db2.gz YCNNEURIUPWVQG-UHFFFAOYSA-N 1 1 378.432 3.344 20 5 GGBDMO C[N@H+](CCCOc1ccc(F)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000029582250 1400318437 /nfs/dbraw/zinc/31/84/37/1400318437.db2.gz AYTLZNLVVNIYKN-UHFFFAOYSA-N 1 1 385.399 3.351 20 5 GGBDMO C[N@@H+](CCCOc1ccc(F)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000029582250 1400318442 /nfs/dbraw/zinc/31/84/42/1400318442.db2.gz AYTLZNLVVNIYKN-UHFFFAOYSA-N 1 1 385.399 3.351 20 5 GGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000029827803 1400358854 /nfs/dbraw/zinc/35/88/54/1400358854.db2.gz CMVQYBMKUXPSDM-HNNXBMFYSA-N 1 1 380.404 3.215 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029828970 1400359244 /nfs/dbraw/zinc/35/92/44/1400359244.db2.gz LVHFVFGOIXTRID-NVXWUHKLSA-N 1 1 397.431 3.355 20 5 GGBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000029838145 1400360540 /nfs/dbraw/zinc/36/05/40/1400360540.db2.gz MCQDDOWVYBZOSE-UHFFFAOYSA-N 1 1 394.475 3.347 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000029854277 1400363956 /nfs/dbraw/zinc/36/39/56/1400363956.db2.gz GSPVJIREUZEYHU-OAHLLOKOSA-N 1 1 387.436 3.331 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000029854277 1400363965 /nfs/dbraw/zinc/36/39/65/1400363965.db2.gz GSPVJIREUZEYHU-OAHLLOKOSA-N 1 1 387.436 3.331 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000029905033 1400375135 /nfs/dbraw/zinc/37/51/35/1400375135.db2.gz JSGQUSUSIYVNQN-UHFFFAOYSA-N 1 1 399.447 3.463 20 5 GGBDMO Cc1ccc(C(=O)N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000055903134 1407126893 /nfs/dbraw/zinc/12/68/93/1407126893.db2.gz YVONJEFIFHKKEL-UHFFFAOYSA-N 1 1 383.448 3.130 20 5 GGBDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000055910602 1407131755 /nfs/dbraw/zinc/13/17/55/1407131755.db2.gz FTHBVRHGBWUKSJ-MRXNPFEDSA-N 1 1 383.404 3.408 20 5 GGBDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000055910602 1407131763 /nfs/dbraw/zinc/13/17/63/1407131763.db2.gz FTHBVRHGBWUKSJ-MRXNPFEDSA-N 1 1 383.404 3.408 20 5 GGBDMO C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000056394257 1407319330 /nfs/dbraw/zinc/31/93/30/1407319330.db2.gz IXPMOYJUBFLYCX-KGLIPLIRSA-N 1 1 388.493 3.463 20 5 GGBDMO C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000056394257 1407319336 /nfs/dbraw/zinc/31/93/36/1407319336.db2.gz IXPMOYJUBFLYCX-KGLIPLIRSA-N 1 1 388.493 3.463 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000043086860 1403705078 /nfs/dbraw/zinc/70/50/78/1403705078.db2.gz XWQBHQUFTASIGS-UHFFFAOYSA-N 1 1 381.436 3.241 20 5 GGBDMO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000043086860 1403705085 /nfs/dbraw/zinc/70/50/85/1403705085.db2.gz XWQBHQUFTASIGS-UHFFFAOYSA-N 1 1 381.436 3.241 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000043086860 1403705097 /nfs/dbraw/zinc/70/50/97/1403705097.db2.gz XWQBHQUFTASIGS-UHFFFAOYSA-N 1 1 381.436 3.241 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000056519629 1407351707 /nfs/dbraw/zinc/35/17/07/1407351707.db2.gz IGAJNBOPJHJZSF-UHFFFAOYSA-N 1 1 390.465 3.057 20 5 GGBDMO COc1cc(CN2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000056523486 1407353430 /nfs/dbraw/zinc/35/34/30/1407353430.db2.gz XKCYCLPFDCBEFG-UHFFFAOYSA-N 1 1 387.427 3.369 20 5 GGBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000043342500 1403751081 /nfs/dbraw/zinc/75/10/81/1403751081.db2.gz RNOFFUNYZNMXDE-TXEJJXNPSA-N 1 1 384.864 3.258 20 5 GGBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000043342500 1403751087 /nfs/dbraw/zinc/75/10/87/1403751087.db2.gz RNOFFUNYZNMXDE-TXEJJXNPSA-N 1 1 384.864 3.258 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000044638109 1403970977 /nfs/dbraw/zinc/97/09/77/1403970977.db2.gz WTPFJUBXJOKHNP-IYBDPMFKSA-N 1 1 383.448 3.134 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000044638109 1403970982 /nfs/dbraw/zinc/97/09/82/1403970982.db2.gz WTPFJUBXJOKHNP-IYBDPMFKSA-N 1 1 383.448 3.134 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000044638323 1403971424 /nfs/dbraw/zinc/97/14/24/1403971424.db2.gz ZKUVJECIGBWNDZ-IAGOWNOFSA-N 1 1 397.475 3.063 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000044638367 1403971776 /nfs/dbraw/zinc/97/17/76/1403971776.db2.gz PRTJGDRWTIOEDB-OKILXGFUSA-N 1 1 389.477 3.196 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000044638367 1403971783 /nfs/dbraw/zinc/97/17/83/1403971783.db2.gz PRTJGDRWTIOEDB-OKILXGFUSA-N 1 1 389.477 3.196 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000044638369 1403971922 /nfs/dbraw/zinc/97/19/22/1403971922.db2.gz PRTJGDRWTIOEDB-KBPBESRZSA-N 1 1 389.477 3.196 20 5 GGBDMO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000044653551 1403975914 /nfs/dbraw/zinc/97/59/14/1403975914.db2.gz WTFSEMALSLLONV-UHFFFAOYSA-N 1 1 393.447 3.387 20 5 GGBDMO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[NH+](C2CCCC2)CC1 ZINC000045085824 1404051250 /nfs/dbraw/zinc/05/12/50/1404051250.db2.gz UKJBQKPICNCLHF-UHFFFAOYSA-N 1 1 389.499 3.242 20 5 GGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000045465168 1404126732 /nfs/dbraw/zinc/12/67/32/1404126732.db2.gz QATQQNVVUYVIDP-AWEZNQCLSA-N 1 1 385.489 3.493 20 5 GGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000045622245 1404164526 /nfs/dbraw/zinc/16/45/26/1404164526.db2.gz PSEFIOLSYMOOKC-UHFFFAOYSA-N 1 1 382.464 3.321 20 5 GGBDMO CCOc1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000046404295 1404402290 /nfs/dbraw/zinc/40/22/90/1404402290.db2.gz QFRYXDORYMBMJU-UHFFFAOYSA-N 1 1 398.463 3.388 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046432943 1404411886 /nfs/dbraw/zinc/41/18/86/1404411886.db2.gz NDACBPNVZJCMCV-GASCZTMLSA-N 1 1 399.447 3.465 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046432943 1404411893 /nfs/dbraw/zinc/41/18/93/1404411893.db2.gz NDACBPNVZJCMCV-GASCZTMLSA-N 1 1 399.447 3.465 20 5 GGBDMO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@H+]1CCC[C@H](C)C1 ZINC000047119476 1404712937 /nfs/dbraw/zinc/71/29/37/1404712937.db2.gz HDOXYJVTSFWKGJ-ROUUACIJSA-N 1 1 391.515 3.391 20 5 GGBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047715258 1404900965 /nfs/dbraw/zinc/90/09/65/1404900965.db2.gz HYNQACYLFIAHQK-UHFFFAOYSA-N 1 1 389.402 3.196 20 5 GGBDMO Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000048361070 1405163963 /nfs/dbraw/zinc/16/39/63/1405163963.db2.gz UQCNMYBGMQDZIW-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000048361070 1405163972 /nfs/dbraw/zinc/16/39/72/1405163972.db2.gz UQCNMYBGMQDZIW-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050029938 1405457717 /nfs/dbraw/zinc/45/77/17/1405457717.db2.gz YTVRBDCWAPVYFY-SFHVURJKSA-N 1 1 382.464 3.035 20 5 GGBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000050899954 1405680547 /nfs/dbraw/zinc/68/05/47/1405680547.db2.gz OBZWRQIJWXFUQI-LBPRGKRZSA-N 1 1 378.454 3.068 20 5 GGBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000050899954 1405680563 /nfs/dbraw/zinc/68/05/63/1405680563.db2.gz OBZWRQIJWXFUQI-LBPRGKRZSA-N 1 1 378.454 3.068 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000051378371 1405800862 /nfs/dbraw/zinc/80/08/62/1405800862.db2.gz VUUPTVKZTMXGBQ-UHFFFAOYSA-N 1 1 385.464 3.320 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000051407778 1405806225 /nfs/dbraw/zinc/80/62/25/1405806225.db2.gz HEFVZMLQNXCURY-KRWDZBQOSA-N 1 1 378.375 3.277 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000051407778 1405806228 /nfs/dbraw/zinc/80/62/28/1405806228.db2.gz HEFVZMLQNXCURY-KRWDZBQOSA-N 1 1 378.375 3.277 20 5 GGBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052154259 1405955169 /nfs/dbraw/zinc/95/51/69/1405955169.db2.gz JOTGQLODZLRBGZ-AWEZNQCLSA-N 1 1 394.435 3.098 20 5 GGBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052192808 1405980221 /nfs/dbraw/zinc/98/02/21/1405980221.db2.gz IGNFZULDMXUWJT-GASCZTMLSA-N 1 1 385.468 3.012 20 5 GGBDMO Cc1cc(NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000052486272 1406063275 /nfs/dbraw/zinc/06/32/75/1406063275.db2.gz WLRPKLLRIOXXJR-UHFFFAOYSA-N 1 1 398.463 3.176 20 5 GGBDMO CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000052919949 1406230749 /nfs/dbraw/zinc/23/07/49/1406230749.db2.gz QCKOVLXVTRDGRF-INIZCTEOSA-N 1 1 399.447 3.394 20 5 GGBDMO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000052919949 1406230760 /nfs/dbraw/zinc/23/07/60/1406230760.db2.gz QCKOVLXVTRDGRF-INIZCTEOSA-N 1 1 399.447 3.394 20 5 GGBDMO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000056849071 1407454918 /nfs/dbraw/zinc/45/49/18/1407454918.db2.gz QUQAFZZEUAWSCJ-CQSZACIVSA-N 1 1 378.432 3.253 20 5 GGBDMO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@H+]1CCc2ccccc2C1 ZINC000056849124 1407455028 /nfs/dbraw/zinc/45/50/28/1407455028.db2.gz HSBSSLCBLRCUFV-CQSZACIVSA-N 1 1 378.432 3.253 20 5 GGBDMO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1CCc2sccc2C1 ZINC000056888155 1407465313 /nfs/dbraw/zinc/46/53/13/1407465313.db2.gz KNDPACXUZLUCOS-LBPRGKRZSA-N 1 1 384.461 3.314 20 5 GGBDMO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@H+]1CCc2sccc2C1 ZINC000056888155 1407465319 /nfs/dbraw/zinc/46/53/19/1407465319.db2.gz KNDPACXUZLUCOS-LBPRGKRZSA-N 1 1 384.461 3.314 20 5 GGBDMO COc1ccc2c(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc(=O)oc2c1 ZINC000057024527 1407503955 /nfs/dbraw/zinc/50/39/55/1407503955.db2.gz QWTLXWXLZOMOMC-UHFFFAOYSA-N 1 1 395.415 3.032 20 5 GGBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000057138457 1407533587 /nfs/dbraw/zinc/53/35/87/1407533587.db2.gz HVLRGZWLQPYTOR-UHFFFAOYSA-N 1 1 388.390 3.016 20 5 GGBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000057554146 1407648435 /nfs/dbraw/zinc/64/84/35/1407648435.db2.gz OOFAGCMDHMUDNQ-AWEZNQCLSA-N 1 1 397.431 3.362 20 5 GGBDMO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000057567677 1407652134 /nfs/dbraw/zinc/65/21/34/1407652134.db2.gz SXSCDYMJYAFGIB-GOSISDBHSA-N 1 1 388.855 3.175 20 5 GGBDMO Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000057705182 1407693502 /nfs/dbraw/zinc/69/35/02/1407693502.db2.gz VQSUNKIJRACMJG-MRXNPFEDSA-N 1 1 395.506 3.080 20 5 GGBDMO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000057858673 1407740971 /nfs/dbraw/zinc/74/09/71/1407740971.db2.gz PEIOASSFUVNKMH-UHFFFAOYSA-N 1 1 381.779 3.168 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000058166323 1407792306 /nfs/dbraw/zinc/79/23/06/1407792306.db2.gz HBTSKMCWOLLRIE-UHFFFAOYSA-N 1 1 377.466 3.062 20 5 GGBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000058276811 1407805781 /nfs/dbraw/zinc/80/57/81/1407805781.db2.gz PLUSXFMZYFFXFZ-QGZVFWFLSA-N 1 1 388.512 3.293 20 5 GGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000058297029 1407808485 /nfs/dbraw/zinc/80/84/85/1407808485.db2.gz OKOZLCBNQWSMKU-QGZVFWFLSA-N 1 1 388.512 3.437 20 5 GGBDMO C[N@@H+](CCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000058489039 1407835759 /nfs/dbraw/zinc/83/57/59/1407835759.db2.gz LLAHKOGVXROXKQ-UHFFFAOYSA-N 1 1 382.464 3.421 20 5 GGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058861217 1407890678 /nfs/dbraw/zinc/89/06/78/1407890678.db2.gz PMFMUELRZHNIKT-UHFFFAOYSA-N 1 1 376.501 3.366 20 5 GGBDMO CCOc1ccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000058882622 1407894040 /nfs/dbraw/zinc/89/40/40/1407894040.db2.gz UOYHKKDFKPHUIT-HLLBOEOZSA-N 1 1 375.469 3.471 20 5 GGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000058882501 1407894212 /nfs/dbraw/zinc/89/42/12/1407894212.db2.gz UGECAGJMZIMUGL-IXDOHACOSA-N 1 1 375.469 3.228 20 5 GGBDMO CN1CC[NH+](Cc2ccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cc2)CC1 ZINC000058889326 1407894991 /nfs/dbraw/zinc/89/49/91/1407894991.db2.gz POTSRKQLBRLWMA-UHFFFAOYSA-N 1 1 393.447 3.076 20 5 GGBDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccsc1 ZINC000058932132 1407900747 /nfs/dbraw/zinc/90/07/47/1407900747.db2.gz NFVGQVLYNCBCJN-MRXNPFEDSA-N 1 1 397.522 3.326 20 5 GGBDMO CCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000060351757 1407957771 /nfs/dbraw/zinc/95/77/71/1407957771.db2.gz HBPZDTBXJMJGAY-LJQANCHMSA-N 1 1 399.495 3.003 20 5 GGBDMO CCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000060351758 1407957834 /nfs/dbraw/zinc/95/78/34/1407957834.db2.gz HBPZDTBXJMJGAY-IBGZPJMESA-N 1 1 399.495 3.003 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[N@H+](C)C2CCCCC2)cc1C ZINC000060442487 1407978257 /nfs/dbraw/zinc/97/82/57/1407978257.db2.gz DHDBSKWKSCFRCC-UHFFFAOYSA-N 1 1 383.514 3.145 20 5 GGBDMO COc1ccc(CNCC[NH+]2CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061030875 1408068271 /nfs/dbraw/zinc/06/82/71/1408068271.db2.gz PHSHROMKDUHIMB-UHFFFAOYSA-N 1 1 385.464 3.368 20 5 GGBDMO COCCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000061308696 1408104508 /nfs/dbraw/zinc/10/45/08/1408104508.db2.gz WLCJFKRIZRXLEA-UHFFFAOYSA-N 1 1 375.494 3.477 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 ZINC000061622530 1408154612 /nfs/dbraw/zinc/15/46/12/1408154612.db2.gz PVTWXFFEESPBAJ-UHFFFAOYSA-N 1 1 386.408 3.193 20 5 GGBDMO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000062231531 1408221735 /nfs/dbraw/zinc/22/17/35/1408221735.db2.gz GZEWHSHURJVETK-QGZVFWFLSA-N 1 1 383.448 3.245 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062229796 1408222237 /nfs/dbraw/zinc/22/22/37/1408222237.db2.gz LHFMVUJEPLOGJM-LJQANCHMSA-N 1 1 397.475 3.392 20 5 GGBDMO Cc1c(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000062291566 1408231878 /nfs/dbraw/zinc/23/18/78/1408231878.db2.gz WYAZACNOWBGYCC-HNNXBMFYSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1c(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000062291566 1408231887 /nfs/dbraw/zinc/23/18/87/1408231887.db2.gz WYAZACNOWBGYCC-HNNXBMFYSA-N 1 1 383.448 3.054 20 5 GGBDMO CNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c([N+](=O)[O-])c1 ZINC000063254826 1408324448 /nfs/dbraw/zinc/32/44/48/1408324448.db2.gz LQJRAHSWIUGTOU-UHFFFAOYSA-N 1 1 383.383 3.200 20 5 GGBDMO Cc1ccccc1C[N@H+]1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000063498002 1408364344 /nfs/dbraw/zinc/36/43/44/1408364344.db2.gz LYBVKWXEHSGBGT-UHFFFAOYSA-N 1 1 396.491 3.358 20 5 GGBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000063518763 1408366181 /nfs/dbraw/zinc/36/61/81/1408366181.db2.gz NMQDKSPVCBYEBH-SFHVURJKSA-N 1 1 391.493 3.047 20 5 GGBDMO COc1ccc(CSCC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000063693451 1408392615 /nfs/dbraw/zinc/39/26/15/1408392615.db2.gz HCDADRWPCWRJRJ-MRXNPFEDSA-N 1 1 395.525 3.073 20 5 GGBDMO COc1ccc(CSCC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000063723013 1408397049 /nfs/dbraw/zinc/39/70/49/1408397049.db2.gz IAJSHQHNAPJDEG-UHFFFAOYSA-N 1 1 395.525 3.169 20 5 GGBDMO CCN1CC[NH+](CCCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000063744605 1408399745 /nfs/dbraw/zinc/39/97/45/1408399745.db2.gz ODIBWVAYUXXQIC-UHFFFAOYSA-N 1 1 376.504 3.145 20 5 GGBDMO Cc1c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063758461 1408403299 /nfs/dbraw/zinc/40/32/99/1408403299.db2.gz QTUWAKXQXNTNEY-CYBMUJFWSA-N 1 1 378.429 3.053 20 5 GGBDMO CC(C)[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350363 1408538395 /nfs/dbraw/zinc/53/83/95/1408538395.db2.gz QRFQLJNZGKWMJK-MAUKXSAKSA-N 1 1 390.484 3.210 20 5 GGBDMO CC(C)[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350363 1408538403 /nfs/dbraw/zinc/53/84/03/1408538403.db2.gz QRFQLJNZGKWMJK-MAUKXSAKSA-N 1 1 390.484 3.210 20 5 GGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000064735768 1408604671 /nfs/dbraw/zinc/60/46/71/1408604671.db2.gz RLOHCBMOTQIULT-YRNRMSPPSA-N 1 1 397.479 3.258 20 5 GGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000064738662 1408605928 /nfs/dbraw/zinc/60/59/28/1408605928.db2.gz QDYDMSDFFBTLBA-UHFFFAOYSA-N 1 1 388.512 3.387 20 5 GGBDMO CCc1cc(NCCC[NH+]2CCN(CC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914183 1408627978 /nfs/dbraw/zinc/62/79/78/1408627978.db2.gz BCXWXSAVCOPDNZ-UHFFFAOYSA-N 1 1 398.511 3.054 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000064956427 1408631530 /nfs/dbraw/zinc/63/15/30/1408631530.db2.gz BJZFKMYTHSQWQM-NVXWUHKLSA-N 1 1 389.477 3.017 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000064991561 1408634003 /nfs/dbraw/zinc/63/40/03/1408634003.db2.gz IIYHOHWSYLDYEA-UHFFFAOYSA-N 1 1 375.450 3.059 20 5 GGBDMO COCCCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000065165186 1408650406 /nfs/dbraw/zinc/65/04/06/1408650406.db2.gz VXGMIIRTMCYTFM-UHFFFAOYSA-N 1 1 397.475 3.413 20 5 GGBDMO O=c1[nH]cnc2cc(NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000065202204 1408652219 /nfs/dbraw/zinc/65/22/19/1408652219.db2.gz LUCZGYLGHHLYPK-INIZCTEOSA-N 1 1 393.447 3.155 20 5 GGBDMO CCOc1cc(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000065521047 1408683336 /nfs/dbraw/zinc/68/33/36/1408683336.db2.gz OZQOTOJZRNSRCN-CQSZACIVSA-N 1 1 394.472 3.244 20 5 GGBDMO Cc1cccc(C[NH+]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000065835824 1408738568 /nfs/dbraw/zinc/73/85/68/1408738568.db2.gz WZNFQBGUVAWWQE-UHFFFAOYSA-N 1 1 392.459 3.202 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000065868014 1408745008 /nfs/dbraw/zinc/74/50/08/1408745008.db2.gz VUVZLIGNAGQFMM-CALCHBBNSA-N 1 1 386.496 3.424 20 5 GGBDMO CN(c1ccccc1)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000065956670 1408762034 /nfs/dbraw/zinc/76/20/34/1408762034.db2.gz OMKZZVIELGQIFK-UHFFFAOYSA-N 1 1 394.475 3.085 20 5 GGBDMO COc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000065963076 1408763389 /nfs/dbraw/zinc/76/33/89/1408763389.db2.gz DPMUWYRFUCQGNR-UHFFFAOYSA-N 1 1 375.469 3.264 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065965032 1408764511 /nfs/dbraw/zinc/76/45/11/1408764511.db2.gz OWEOEDRUELBYDE-UHFFFAOYSA-N 1 1 375.469 3.264 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1C ZINC000065971331 1408764900 /nfs/dbraw/zinc/76/49/00/1408764900.db2.gz CKHABYLAJVLZDI-UHFFFAOYSA-N 1 1 383.514 3.097 20 5 GGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066434480 1408837012 /nfs/dbraw/zinc/83/70/12/1408837012.db2.gz OZOIFNYYUHOKOC-SFHVURJKSA-N 1 1 389.408 3.153 20 5 GGBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066676453 1408882503 /nfs/dbraw/zinc/88/25/03/1408882503.db2.gz DWAQLHXQEJGYSM-UHFFFAOYSA-N 1 1 397.475 3.344 20 5 GGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000066761330 1408904813 /nfs/dbraw/zinc/90/48/13/1408904813.db2.gz MLVBPDTVBDKPMA-CQSZACIVSA-N 1 1 396.447 3.077 20 5 GGBDMO CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000066761330 1408904819 /nfs/dbraw/zinc/90/48/19/1408904819.db2.gz MLVBPDTVBDKPMA-CQSZACIVSA-N 1 1 396.447 3.077 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000067072233 1409001602 /nfs/dbraw/zinc/00/16/02/1409001602.db2.gz CHZRBDRDWDACPL-IYBDPMFKSA-N 1 1 383.448 3.134 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000067072233 1409001606 /nfs/dbraw/zinc/00/16/06/1409001606.db2.gz CHZRBDRDWDACPL-IYBDPMFKSA-N 1 1 383.448 3.134 20 5 GGBDMO C[N@@H+](CCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000067145310 1409021451 /nfs/dbraw/zinc/02/14/51/1409021451.db2.gz VEQJXSLTNVILRP-UHFFFAOYSA-N 1 1 385.468 3.165 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176581031 1428370304 /nfs/dbraw/zinc/37/03/04/1428370304.db2.gz VBFOWXZMOOGGIH-FUHWJXTLSA-N 1 1 383.448 3.143 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176581018 1428369825 /nfs/dbraw/zinc/36/98/25/1428369825.db2.gz VBFOWXZMOOGGIH-SJLPKXTDSA-N 1 1 383.448 3.143 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000176581993 1428370780 /nfs/dbraw/zinc/37/07/80/1428370780.db2.gz NOKLYEKFURAFFU-NVXWUHKLSA-N 1 1 383.448 3.386 20 5 GGBDMO Cc1csc(Sc2ccc(C(=O)NCC[N@H+](C)C3CC3)cc2[N+](=O)[O-])n1 ZINC000067282060 1409063622 /nfs/dbraw/zinc/06/36/22/1409063622.db2.gz DXMJTNUQMHEMEL-UHFFFAOYSA-N 1 1 392.506 3.335 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC000067523828 1409143406 /nfs/dbraw/zinc/14/34/06/1409143406.db2.gz ANBGRNQCLRAYPE-UHFFFAOYSA-N 1 1 399.338 3.066 20 5 GGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000067536284 1409150830 /nfs/dbraw/zinc/15/08/30/1409150830.db2.gz QITYQLGBHYJOFO-UHFFFAOYSA-N 1 1 386.427 3.151 20 5 GGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000067536284 1409150841 /nfs/dbraw/zinc/15/08/41/1409150841.db2.gz QITYQLGBHYJOFO-UHFFFAOYSA-N 1 1 386.427 3.151 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cc1F ZINC000067646563 1409196004 /nfs/dbraw/zinc/19/60/04/1409196004.db2.gz NINBODLJHIHWPV-UHFFFAOYSA-N 1 1 383.383 3.227 20 5 GGBDMO CCOc1cc(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000067736800 1409218077 /nfs/dbraw/zinc/21/80/77/1409218077.db2.gz OZQOTOJZRNSRCN-AWEZNQCLSA-N 1 1 394.472 3.244 20 5 GGBDMO Cc1c(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000067810008 1409236444 /nfs/dbraw/zinc/23/64/44/1409236444.db2.gz WYAZACNOWBGYCC-OAHLLOKOSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1c(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000067810008 1409236447 /nfs/dbraw/zinc/23/64/47/1409236447.db2.gz WYAZACNOWBGYCC-OAHLLOKOSA-N 1 1 383.448 3.054 20 5 GGBDMO COc1ccc(CC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1[N+](=O)[O-] ZINC000067819632 1409237772 /nfs/dbraw/zinc/23/77/72/1409237772.db2.gz ASHFJYBIVPGBCA-UHFFFAOYSA-N 1 1 398.394 3.096 20 5 GGBDMO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000067833258 1409241149 /nfs/dbraw/zinc/24/11/49/1409241149.db2.gz FGIZWPNHNDDEEW-UHFFFAOYSA-N 1 1 393.447 3.113 20 5 GGBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000068080936 1409294352 /nfs/dbraw/zinc/29/43/52/1409294352.db2.gz SWHADHGVMIMWHU-UHFFFAOYSA-N 1 1 385.468 3.199 20 5 GGBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000068179611 1409324534 /nfs/dbraw/zinc/32/45/34/1409324534.db2.gz QWZOPQAOBDIOGN-UHFFFAOYSA-N 1 1 392.459 3.284 20 5 GGBDMO COc1ccc(CSCC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068210996 1409330372 /nfs/dbraw/zinc/33/03/72/1409330372.db2.gz ZWVOGLSTKSNQCG-LSDHHAIUSA-N 1 1 395.525 3.073 20 5 GGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000068226270 1409334947 /nfs/dbraw/zinc/33/49/47/1409334947.db2.gz LQQXXLBNLHSNNS-SFHVURJKSA-N 1 1 385.439 3.305 20 5 GGBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000068256829 1409342585 /nfs/dbraw/zinc/34/25/85/1409342585.db2.gz LCHCGGHOEKFJME-SFHVURJKSA-N 1 1 382.464 3.035 20 5 GGBDMO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000068387579 1409387151 /nfs/dbraw/zinc/38/71/51/1409387151.db2.gz XKXMXPDCRLLNPU-CYBMUJFWSA-N 1 1 381.436 3.330 20 5 GGBDMO CC(C)[N@H+]1CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000068800458 1409494831 /nfs/dbraw/zinc/49/48/31/1409494831.db2.gz ZLQMGBQWMRXBAQ-UHFFFAOYSA-N 1 1 388.512 3.387 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000068966955 1409535326 /nfs/dbraw/zinc/53/53/26/1409535326.db2.gz LSBHXXZLMKPBGC-GOSISDBHSA-N 1 1 396.491 3.438 20 5 GGBDMO Cc1cccc2nc(C[NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)cn21 ZINC000068996823 1409540033 /nfs/dbraw/zinc/54/00/33/1409540033.db2.gz ODFFNJSRRCXETQ-UHFFFAOYSA-N 1 1 376.420 3.241 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000176719878 1428432078 /nfs/dbraw/zinc/43/20/78/1428432078.db2.gz PHTWEYAWJXDPPJ-AEFFLSMTSA-N 1 1 396.491 3.444 20 5 GGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)C1 ZINC000071906930 1409829996 /nfs/dbraw/zinc/82/99/96/1409829996.db2.gz RHJUHZJHSWFLQK-OAHLLOKOSA-N 1 1 382.464 3.339 20 5 GGBDMO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000071955429 1409833283 /nfs/dbraw/zinc/83/32/83/1409833283.db2.gz DXOQIGGJXATTLJ-UHFFFAOYSA-N 1 1 382.436 3.089 20 5 GGBDMO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000072045667 1409841149 /nfs/dbraw/zinc/84/11/49/1409841149.db2.gz HPIDFVUTDAWLIA-UHFFFAOYSA-N 1 1 395.463 3.455 20 5 GGBDMO COc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000072810404 1409853510 /nfs/dbraw/zinc/85/35/10/1409853510.db2.gz GJWUNCHZJNMSOU-HOTGVXAUSA-N 1 1 375.469 3.330 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074319631 1409871715 /nfs/dbraw/zinc/87/17/15/1409871715.db2.gz NEYAYFZZNVXRFI-MRXNPFEDSA-N 1 1 376.501 3.366 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNc3nc4sccn4c3[N+](=O)[O-])CC2)oc1C ZINC000078882839 1409940584 /nfs/dbraw/zinc/94/05/84/1409940584.db2.gz RGDXDPJZYJLGEH-UHFFFAOYSA-N 1 1 390.469 3.233 20 5 GGBDMO Cc1noc([C@@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000091832193 1410084337 /nfs/dbraw/zinc/08/43/37/1410084337.db2.gz SNXTZSFCZOKIEG-OAHLLOKOSA-N 1 1 382.424 3.066 20 5 GGBDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000091952877 1410095140 /nfs/dbraw/zinc/09/51/40/1410095140.db2.gz WXQAIBDLCWXTIO-UHFFFAOYSA-N 1 1 385.411 3.275 20 5 GGBDMO CCC(=O)N1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000092187039 1410117541 /nfs/dbraw/zinc/11/75/41/1410117541.db2.gz AMKJAGVQJBVORE-UHFFFAOYSA-N 1 1 387.436 3.308 20 5 GGBDMO CCC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000092187039 1410117556 /nfs/dbraw/zinc/11/75/56/1410117556.db2.gz AMKJAGVQJBVORE-UHFFFAOYSA-N 1 1 387.436 3.308 20 5 GGBDMO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000092382313 1410149248 /nfs/dbraw/zinc/14/92/48/1410149248.db2.gz GQUFOIGMPJMYQN-UHFFFAOYSA-N 1 1 375.425 3.164 20 5 GGBDMO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000092382313 1410149254 /nfs/dbraw/zinc/14/92/54/1410149254.db2.gz GQUFOIGMPJMYQN-UHFFFAOYSA-N 1 1 375.425 3.164 20 5 GGBDMO COc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1O ZINC000092404735 1410152068 /nfs/dbraw/zinc/15/20/68/1410152068.db2.gz FUCXHYWGJUHKFN-UHFFFAOYSA-N 1 1 382.420 3.342 20 5 GGBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092708050 1410192762 /nfs/dbraw/zinc/19/27/62/1410192762.db2.gz WOTXRYMFDRTKEV-ZDUSSCGKSA-N 1 1 385.411 3.325 20 5 GGBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092708050 1410192767 /nfs/dbraw/zinc/19/27/67/1410192767.db2.gz WOTXRYMFDRTKEV-ZDUSSCGKSA-N 1 1 385.411 3.325 20 5 GGBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092708051 1410193290 /nfs/dbraw/zinc/19/32/90/1410193290.db2.gz WOTXRYMFDRTKEV-CYBMUJFWSA-N 1 1 385.411 3.325 20 5 GGBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092708051 1410193294 /nfs/dbraw/zinc/19/32/94/1410193294.db2.gz WOTXRYMFDRTKEV-CYBMUJFWSA-N 1 1 385.411 3.325 20 5 GGBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092710118 1410194086 /nfs/dbraw/zinc/19/40/86/1410194086.db2.gz NOUPVMQBOCWLJY-KRWDZBQOSA-N 1 1 399.495 3.124 20 5 GGBDMO C[N@@H+](CCN1CCOCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092974625 1410213429 /nfs/dbraw/zinc/21/34/29/1410213429.db2.gz PBSXRDODFBNWPH-UHFFFAOYSA-N 1 1 379.844 3.272 20 5 GGBDMO C[N@@H+](CCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000093104894 1410222182 /nfs/dbraw/zinc/22/21/82/1410222182.db2.gz NJEJZYVNPPAXDN-YRNVUSSQSA-N 1 1 394.519 3.358 20 5 GGBDMO COCC1CC[NH+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000093103615 1410222265 /nfs/dbraw/zinc/22/22/65/1410222265.db2.gz AQPUEKILUJBKRC-UHFFFAOYSA-N 1 1 392.374 3.403 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+](CCO)CCCO)cc1 ZINC000093324018 1410234276 /nfs/dbraw/zinc/23/42/76/1410234276.db2.gz ZPEBTWJPSIAPSF-UHFFFAOYSA-N 1 1 380.828 3.217 20 5 GGBDMO COCCOC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000093339328 1410235473 /nfs/dbraw/zinc/23/54/73/1410235473.db2.gz URMSJWUZFBSUSW-UHFFFAOYSA-N 1 1 377.466 3.346 20 5 GGBDMO Cc1nc(COc2ccc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc2)no1 ZINC000093338385 1410236077 /nfs/dbraw/zinc/23/60/77/1410236077.db2.gz FKUCPVNHODUISR-UHFFFAOYSA-N 1 1 380.404 3.424 20 5 GGBDMO Cc1nc(COc2ccc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc2)no1 ZINC000093338385 1410236088 /nfs/dbraw/zinc/23/60/88/1410236088.db2.gz FKUCPVNHODUISR-UHFFFAOYSA-N 1 1 380.404 3.424 20 5 GGBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000093360424 1410238278 /nfs/dbraw/zinc/23/82/78/1410238278.db2.gz CXDHGDFLYUHKHS-GFCCVEGCSA-N 1 1 377.828 3.466 20 5 GGBDMO COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534431 1410250586 /nfs/dbraw/zinc/25/05/86/1410250586.db2.gz FILUGURZVRQEPR-ZDUSSCGKSA-N 1 1 394.378 3.286 20 5 GGBDMO COc1ccc(OC(F)F)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534431 1410250593 /nfs/dbraw/zinc/25/05/93/1410250593.db2.gz FILUGURZVRQEPR-ZDUSSCGKSA-N 1 1 394.378 3.286 20 5 GGBDMO COc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC(F)F ZINC000093534455 1410250693 /nfs/dbraw/zinc/25/06/93/1410250693.db2.gz FPWRYSFMHHDKTD-ZDUSSCGKSA-N 1 1 394.378 3.286 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3F)C2)nc1 ZINC000093534445 1410250796 /nfs/dbraw/zinc/25/07/96/1410250796.db2.gz DOZHXRYCQFVLFQ-AWEZNQCLSA-N 1 1 382.399 3.205 20 5 GGBDMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534277 1410251208 /nfs/dbraw/zinc/25/12/08/1410251208.db2.gz ARXMWPOBACDANH-KRWDZBQOSA-N 1 1 378.436 3.170 20 5 GGBDMO COc1nc2ccccc2cc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534351 1410251262 /nfs/dbraw/zinc/25/12/62/1410251262.db2.gz YLLYNKLYCYXMSB-INIZCTEOSA-N 1 1 379.420 3.233 20 5 GGBDMO CCCn1c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc21 ZINC000093534364 1410251328 /nfs/dbraw/zinc/25/13/28/1410251328.db2.gz BMTTVPSXNBSRJH-OAHLLOKOSA-N 1 1 380.452 3.436 20 5 GGBDMO CCCn1c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc21 ZINC000093534364 1410251332 /nfs/dbraw/zinc/25/13/32/1410251332.db2.gz BMTTVPSXNBSRJH-OAHLLOKOSA-N 1 1 380.452 3.436 20 5 GGBDMO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)c1OC ZINC000093534859 1410251678 /nfs/dbraw/zinc/25/16/78/1410251678.db2.gz JAWYKOGNCSNOOY-CYBMUJFWSA-N 1 1 392.843 3.347 20 5 GGBDMO COc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)c1OC ZINC000093534859 1410251682 /nfs/dbraw/zinc/25/16/82/1410251682.db2.gz JAWYKOGNCSNOOY-CYBMUJFWSA-N 1 1 392.843 3.347 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)nc1 ZINC000093534876 1410251746 /nfs/dbraw/zinc/25/17/46/1410251746.db2.gz RYSNJZBWCGWMEQ-MRXNPFEDSA-N 1 1 382.399 3.001 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)nc1 ZINC000093534775 1410252027 /nfs/dbraw/zinc/25/20/27/1410252027.db2.gz HSWINAUPMGOJJE-MRXNPFEDSA-N 1 1 392.419 3.259 20 5 GGBDMO Cn1cc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093710733 1410260872 /nfs/dbraw/zinc/26/08/72/1410260872.db2.gz KBZNHSLTFUHJLN-NDEPHWFRSA-N 1 1 398.488 3.365 20 5 GGBDMO Cn1cc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093710733 1410260877 /nfs/dbraw/zinc/26/08/77/1410260877.db2.gz KBZNHSLTFUHJLN-NDEPHWFRSA-N 1 1 398.488 3.365 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093820317 1410272510 /nfs/dbraw/zinc/27/25/10/1410272510.db2.gz BSBBEVQJHZCQPV-INIZCTEOSA-N 1 1 390.358 3.157 20 5 GGBDMO Cn1cc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093863700 1410274522 /nfs/dbraw/zinc/27/45/22/1410274522.db2.gz XRVMBOBFLJTCDC-GOSISDBHSA-N 1 1 380.452 3.238 20 5 GGBDMO C[C@H]1C[NH+](CCC2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000093844170 1410274669 /nfs/dbraw/zinc/27/46/69/1410274669.db2.gz DPFBZGJHAHYIMG-HOTGVXAUSA-N 1 1 377.485 3.012 20 5 GGBDMO C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000093844169 1410274730 /nfs/dbraw/zinc/27/47/30/1410274730.db2.gz DPFBZGJHAHYIMG-IYBDPMFKSA-N 1 1 377.485 3.012 20 5 GGBDMO C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000093844169 1410274743 /nfs/dbraw/zinc/27/47/43/1410274743.db2.gz DPFBZGJHAHYIMG-IYBDPMFKSA-N 1 1 377.485 3.012 20 5 GGBDMO CC[N@@H+]1CCc2nc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000096948765 1410339002 /nfs/dbraw/zinc/33/90/02/1410339002.db2.gz LWHWRXHWQOCGKZ-UHFFFAOYSA-N 1 1 389.481 3.260 20 5 GGBDMO CC[N@H+]1CCc2nc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000096948765 1410339009 /nfs/dbraw/zinc/33/90/09/1410339009.db2.gz LWHWRXHWQOCGKZ-UHFFFAOYSA-N 1 1 389.481 3.260 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000097057462 1410349353 /nfs/dbraw/zinc/34/93/53/1410349353.db2.gz XOBUWJDSLMMAIY-WIYYLYMNSA-N 1 1 379.416 3.109 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000097057450 1410349393 /nfs/dbraw/zinc/34/93/93/1410349393.db2.gz XOBUWJDSLMMAIY-RXVVDRJESA-N 1 1 379.416 3.109 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000097057454 1410349574 /nfs/dbraw/zinc/34/95/74/1410349574.db2.gz XOBUWJDSLMMAIY-GHTZIAJQSA-N 1 1 379.416 3.109 20 5 GGBDMO Cc1c(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000097152755 1410355554 /nfs/dbraw/zinc/35/55/54/1410355554.db2.gz RZPBAWVSHUFVJZ-GFCCVEGCSA-N 1 1 378.429 3.052 20 5 GGBDMO C[N@@H+](CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000176814655 1428477875 /nfs/dbraw/zinc/47/78/75/1428477875.db2.gz KQOYDIHXUXYLPB-UHFFFAOYSA-N 1 1 386.427 3.170 20 5 GGBDMO O=C(c1cc(NCC[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000097513539 1410373239 /nfs/dbraw/zinc/37/32/39/1410373239.db2.gz BOYVAYRSECMRFT-UHFFFAOYSA-N 1 1 394.475 3.301 20 5 GGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1Cc1ccccc1 ZINC000176815955 1428479114 /nfs/dbraw/zinc/47/91/14/1428479114.db2.gz PTPOJFKZBLZSEN-WBVHZDCISA-N 1 1 382.464 3.302 20 5 GGBDMO COc1ccccc1CCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000098135160 1410430448 /nfs/dbraw/zinc/43/04/48/1410430448.db2.gz HHJAUIMQGYYKDW-UHFFFAOYSA-N 1 1 385.464 3.173 20 5 GGBDMO COc1ccccc1CCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000098135160 1410430461 /nfs/dbraw/zinc/43/04/61/1410430461.db2.gz HHJAUIMQGYYKDW-UHFFFAOYSA-N 1 1 385.464 3.173 20 5 GGBDMO COCCCC[N@@H+](Cc1ccccc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000098129931 1410431014 /nfs/dbraw/zinc/43/10/14/1410431014.db2.gz MOWBCHUDJCAJFM-UHFFFAOYSA-N 1 1 385.420 3.389 20 5 GGBDMO COCCCC[N@H+](Cc1ccccc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000098129931 1410431026 /nfs/dbraw/zinc/43/10/26/1410431026.db2.gz MOWBCHUDJCAJFM-UHFFFAOYSA-N 1 1 385.420 3.389 20 5 GGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000102232275 1410585230 /nfs/dbraw/zinc/58/52/30/1410585230.db2.gz DDZUFDHWLGICBQ-HNNXBMFYSA-N 1 1 385.468 3.397 20 5 GGBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176876161 1428508919 /nfs/dbraw/zinc/50/89/19/1428508919.db2.gz RYLLBKCBDVZRLT-UHFFFAOYSA-N 1 1 394.431 3.332 20 5 GGBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176876161 1428508925 /nfs/dbraw/zinc/50/89/25/1428508925.db2.gz RYLLBKCBDVZRLT-UHFFFAOYSA-N 1 1 394.431 3.332 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000176885028 1428511918 /nfs/dbraw/zinc/51/19/18/1428511918.db2.gz HIHOHYDGGRIQCM-LPHOPBHVSA-N 1 1 382.464 3.399 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)nc(C)[nH+]1 ZINC000176888437 1428513029 /nfs/dbraw/zinc/51/30/29/1428513029.db2.gz VHWOMSCOEBEFOB-UHFFFAOYSA-N 1 1 384.440 3.101 20 5 GGBDMO COc1cc(C[N@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000103140564 1410831130 /nfs/dbraw/zinc/83/11/30/1410831130.db2.gz AOIMXDJSKVMXOV-UHFFFAOYSA-N 1 1 382.363 3.199 20 5 GGBDMO COc1cc(C[N@@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000103140564 1410831131 /nfs/dbraw/zinc/83/11/31/1410831131.db2.gz AOIMXDJSKVMXOV-UHFFFAOYSA-N 1 1 382.363 3.199 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000103145023 1410831973 /nfs/dbraw/zinc/83/19/73/1410831973.db2.gz NVYFLFVYMKFOIL-CQSZACIVSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000103145023 1410831978 /nfs/dbraw/zinc/83/19/78/1410831978.db2.gz NVYFLFVYMKFOIL-CQSZACIVSA-N 1 1 387.436 3.379 20 5 GGBDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000103474977 1410861828 /nfs/dbraw/zinc/86/18/28/1410861828.db2.gz ZXUGGASCVFYTCC-UHFFFAOYSA-N 1 1 393.447 3.148 20 5 GGBDMO C[N@@H+](CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000104574218 1410902266 /nfs/dbraw/zinc/90/22/66/1410902266.db2.gz XGNMAXNVNKBPAP-UHFFFAOYSA-N 1 1 389.374 3.140 20 5 GGBDMO COc1ccccc1C[N@@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104694785 1410932048 /nfs/dbraw/zinc/93/20/48/1410932048.db2.gz XRXYNJUMMPKPQV-UHFFFAOYSA-N 1 1 397.431 3.295 20 5 GGBDMO O=C(CC[NH+]1CCN(c2ccccc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000105591941 1411089010 /nfs/dbraw/zinc/08/90/10/1411089010.db2.gz IXSZNTVTROAFJM-UHFFFAOYSA-N 1 1 388.855 3.399 20 5 GGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000106788813 1411301468 /nfs/dbraw/zinc/30/14/68/1411301468.db2.gz GCPPSILBNSBUIK-CQSZACIVSA-N 1 1 386.477 3.465 20 5 GGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106790163 1411301762 /nfs/dbraw/zinc/30/17/62/1411301762.db2.gz QVJJQDHBYIJDCN-OCCSQVGLSA-N 1 1 381.860 3.149 20 5 GGBDMO C[C@@H]1C[N@H+](CC2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)C[C@H](C)O1 ZINC000177039980 1428564604 /nfs/dbraw/zinc/56/46/04/1428564604.db2.gz QJQIOVZGLIFGRV-GASCZTMLSA-N 1 1 388.468 3.057 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCN(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000107683063 1411397627 /nfs/dbraw/zinc/39/76/27/1411397627.db2.gz WHBWIGIPXNWUIC-UHFFFAOYSA-N 1 1 386.452 3.000 20 5 GGBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000108062478 1411435310 /nfs/dbraw/zinc/43/53/10/1411435310.db2.gz OJFZMOUNJQWQPY-CQSZACIVSA-N 1 1 378.450 3.070 20 5 GGBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000108062478 1411435316 /nfs/dbraw/zinc/43/53/16/1411435316.db2.gz OJFZMOUNJQWQPY-CQSZACIVSA-N 1 1 378.450 3.070 20 5 GGBDMO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000108336247 1411474978 /nfs/dbraw/zinc/47/49/78/1411474978.db2.gz UQXPNZCXOWQQGA-ZACQAIPSSA-N 1 1 388.512 3.149 20 5 GGBDMO C[C@H](Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000108336700 1411476569 /nfs/dbraw/zinc/47/65/69/1411476569.db2.gz PYOKMIVEEZBSRY-JKSUJKDBSA-N 1 1 397.479 3.235 20 5 GGBDMO CCCO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1 ZINC000108392522 1411487814 /nfs/dbraw/zinc/48/78/14/1411487814.db2.gz CCRAMCMEMYRBSS-OAHLLOKOSA-N 1 1 379.457 3.213 20 5 GGBDMO CCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1 ZINC000108392522 1411487827 /nfs/dbraw/zinc/48/78/27/1411487827.db2.gz CCRAMCMEMYRBSS-OAHLLOKOSA-N 1 1 379.457 3.213 20 5 GGBDMO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000108392071 1411488080 /nfs/dbraw/zinc/48/80/80/1411488080.db2.gz VZMLVWIJZFPNBC-GJZGRUSLSA-N 1 1 379.457 3.212 20 5 GGBDMO CCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000108392071 1411488106 /nfs/dbraw/zinc/48/81/06/1411488106.db2.gz VZMLVWIJZFPNBC-GJZGRUSLSA-N 1 1 379.457 3.212 20 5 GGBDMO CCCO[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000108396206 1411489963 /nfs/dbraw/zinc/48/99/63/1411489963.db2.gz ZXYHICYVHZSSGD-INIZCTEOSA-N 1 1 379.457 3.213 20 5 GGBDMO C[N@@H+](CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000177071278 1428577335 /nfs/dbraw/zinc/57/73/35/1428577335.db2.gz VQROTTMLJXPNPG-UHFFFAOYSA-N 1 1 377.441 3.074 20 5 GGBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000108783117 1411608894 /nfs/dbraw/zinc/60/88/94/1411608894.db2.gz LMSILELOAWQHQR-QGZVFWFLSA-N 1 1 394.475 3.421 20 5 GGBDMO COc1cc(C)c(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000109130310 1411691733 /nfs/dbraw/zinc/69/17/33/1411691733.db2.gz ATTMFBXMAFYLBO-SFHVURJKSA-N 1 1 399.447 3.158 20 5 GGBDMO COc1cc(C)c(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000109130310 1411691742 /nfs/dbraw/zinc/69/17/42/1411691742.db2.gz ATTMFBXMAFYLBO-SFHVURJKSA-N 1 1 399.447 3.158 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000109313000 1411738453 /nfs/dbraw/zinc/73/84/53/1411738453.db2.gz HAAMZPSYGNNCQR-SFHVURJKSA-N 1 1 398.463 3.125 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000109312649 1411738511 /nfs/dbraw/zinc/73/85/11/1411738511.db2.gz XATUAHGTCAUPCL-FQEVSTJZSA-N 1 1 382.464 3.045 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000109343660 1411745075 /nfs/dbraw/zinc/74/50/75/1411745075.db2.gz ORVYUVARZLPXBU-UHFFFAOYSA-N 1 1 393.447 3.162 20 5 GGBDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccco1 ZINC000109390851 1411753697 /nfs/dbraw/zinc/75/36/97/1411753697.db2.gz WFSIWKCGUOERNF-INIZCTEOSA-N 1 1 395.481 3.166 20 5 GGBDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccco1 ZINC000109390853 1411754021 /nfs/dbraw/zinc/75/40/21/1411754021.db2.gz WFSIWKCGUOERNF-MRXNPFEDSA-N 1 1 395.481 3.166 20 5 GGBDMO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000109564113 1411787793 /nfs/dbraw/zinc/78/77/93/1411787793.db2.gz TWOGRBWUZLTMBY-AWEZNQCLSA-N 1 1 389.477 3.307 20 5 GGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000109894590 1411817162 /nfs/dbraw/zinc/81/71/62/1411817162.db2.gz HEVWLNCYFPEYTC-LJQANCHMSA-N 1 1 385.468 3.165 20 5 GGBDMO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+](C)Cc1ccccc1 ZINC000110353008 1411846232 /nfs/dbraw/zinc/84/62/32/1411846232.db2.gz RAFBVQGLSKFEHN-INIZCTEOSA-N 1 1 393.447 3.031 20 5 GGBDMO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000110594883 1411859180 /nfs/dbraw/zinc/85/91/80/1411859180.db2.gz ONMTYUQHQFJUGT-CYBMUJFWSA-N 1 1 388.424 3.236 20 5 GGBDMO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000110594887 1411859420 /nfs/dbraw/zinc/85/94/20/1411859420.db2.gz ONMTYUQHQFJUGT-ZDUSSCGKSA-N 1 1 388.424 3.236 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000110870629 1411874409 /nfs/dbraw/zinc/87/44/09/1411874409.db2.gz INFIGJCOJATEFJ-UHFFFAOYSA-N 1 1 389.427 3.269 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000110872209 1411874599 /nfs/dbraw/zinc/87/45/99/1411874599.db2.gz TUMRIURRKLTQAR-UHFFFAOYSA-N 1 1 386.408 3.273 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000110875181 1411874858 /nfs/dbraw/zinc/87/48/58/1411874858.db2.gz VOXVNGMTAWZCDV-HOCLYGCPSA-N 1 1 384.436 3.117 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000110875181 1411874859 /nfs/dbraw/zinc/87/48/59/1411874859.db2.gz VOXVNGMTAWZCDV-HOCLYGCPSA-N 1 1 384.436 3.117 20 5 GGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000110996175 1411881136 /nfs/dbraw/zinc/88/11/36/1411881136.db2.gz XMFFDRKMUKVYST-GFCCVEGCSA-N 1 1 389.374 3.140 20 5 GGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000110996178 1411881174 /nfs/dbraw/zinc/88/11/74/1411881174.db2.gz XMFFDRKMUKVYST-LBPRGKRZSA-N 1 1 389.374 3.140 20 5 GGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000110995785 1411881298 /nfs/dbraw/zinc/88/12/98/1411881298.db2.gz XQIPEBQDWKDXCO-LJQANCHMSA-N 1 1 399.495 3.061 20 5 GGBDMO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000111311348 1411909058 /nfs/dbraw/zinc/90/90/58/1411909058.db2.gz WDCQOIKWDXNZFN-INIZCTEOSA-N 1 1 386.477 3.258 20 5 GGBDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000111311348 1411909076 /nfs/dbraw/zinc/90/90/76/1411909076.db2.gz WDCQOIKWDXNZFN-INIZCTEOSA-N 1 1 386.477 3.258 20 5 GGBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C(=O)NCc3ccco3)o2)c([N+](=O)[O-])c1 ZINC000111399136 1411940258 /nfs/dbraw/zinc/94/02/58/1411940258.db2.gz QOVWIDYRLPEEAK-ZDUSSCGKSA-N 1 1 399.403 3.251 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)c1ccccc1 ZINC000177210302 1428633973 /nfs/dbraw/zinc/63/39/73/1428633973.db2.gz MEJANVUOFAWZLI-OAHLLOKOSA-N 1 1 394.431 3.378 20 5 GGBDMO O=C(NC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)c1ccccc1 ZINC000177210302 1428633979 /nfs/dbraw/zinc/63/39/79/1428633979.db2.gz MEJANVUOFAWZLI-OAHLLOKOSA-N 1 1 394.431 3.378 20 5 GGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000112694938 1412194317 /nfs/dbraw/zinc/19/43/17/1412194317.db2.gz IMVGUBQZTWFDRX-MRXNPFEDSA-N 1 1 399.495 3.290 20 5 GGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000112694938 1412194323 /nfs/dbraw/zinc/19/43/23/1412194323.db2.gz IMVGUBQZTWFDRX-MRXNPFEDSA-N 1 1 399.495 3.290 20 5 GGBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)nc2c1 ZINC000177212592 1428635223 /nfs/dbraw/zinc/63/52/23/1428635223.db2.gz VYHWZZNOXJLSBU-MRXNPFEDSA-N 1 1 375.425 3.286 20 5 GGBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)nc2c1 ZINC000177212573 1428635343 /nfs/dbraw/zinc/63/53/43/1428635343.db2.gz VYHWZZNOXJLSBU-INIZCTEOSA-N 1 1 375.425 3.286 20 5 GGBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000112982348 1412250326 /nfs/dbraw/zinc/25/03/26/1412250326.db2.gz UWYJWTVTGLIRMW-KRWDZBQOSA-N 1 1 386.452 3.125 20 5 GGBDMO COc1ccc([C@H](CO)[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000112996732 1412252980 /nfs/dbraw/zinc/25/29/80/1412252980.db2.gz JHYGYYXLRVNBOO-IBGZPJMESA-N 1 1 397.431 3.466 20 5 GGBDMO NC(=O)Nc1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000113319475 1412292380 /nfs/dbraw/zinc/29/23/80/1412292380.db2.gz KDOIOSBBUOIKKV-UHFFFAOYSA-N 1 1 383.433 3.499 20 5 GGBDMO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000113350282 1412296311 /nfs/dbraw/zinc/29/63/11/1412296311.db2.gz GPCNSKNNQRBWOG-ZDUSSCGKSA-N 1 1 396.440 3.439 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113945233 1412357480 /nfs/dbraw/zinc/35/74/80/1412357480.db2.gz CQFCUFXIEJZSCM-IRXDYDNUSA-N 1 1 395.525 3.178 20 5 GGBDMO COc1ccc(-c2ccc(C[NH2+]CC3(N(C)C)CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000113959598 1412359076 /nfs/dbraw/zinc/35/90/76/1412359076.db2.gz JUOOQAXWACQFAQ-UHFFFAOYSA-N 1 1 389.452 3.064 20 5 GGBDMO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000114063833 1412379329 /nfs/dbraw/zinc/37/93/29/1412379329.db2.gz BAACLAODPQSQIO-DNVCBOLYSA-N 1 1 399.447 3.324 20 5 GGBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000114063833 1412379338 /nfs/dbraw/zinc/37/93/38/1412379338.db2.gz BAACLAODPQSQIO-DNVCBOLYSA-N 1 1 399.447 3.324 20 5 GGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000114188454 1412389881 /nfs/dbraw/zinc/38/98/81/1412389881.db2.gz KYEAGJIAZJNMOJ-OAHLLOKOSA-N 1 1 384.354 3.485 20 5 GGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000114188454 1412389889 /nfs/dbraw/zinc/38/98/89/1412389889.db2.gz KYEAGJIAZJNMOJ-OAHLLOKOSA-N 1 1 384.354 3.485 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)[C@@H]3CCc4ccccc43)n2)cc1 ZINC000114191830 1412391619 /nfs/dbraw/zinc/39/16/19/1412391619.db2.gz KCQRBPLULLXGBB-GOSISDBHSA-N 1 1 380.404 3.127 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCO)[C@@H]3CCc4ccccc43)n2)cc1 ZINC000114191830 1412391624 /nfs/dbraw/zinc/39/16/24/1412391624.db2.gz KCQRBPLULLXGBB-GOSISDBHSA-N 1 1 380.404 3.127 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCO)[C@@H]3CCc4ccccc43)n2)c1 ZINC000114192073 1412391879 /nfs/dbraw/zinc/39/18/79/1412391879.db2.gz ONNLXOWBAWNBMY-GOSISDBHSA-N 1 1 380.404 3.127 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCO)[C@@H]3CCc4ccccc43)n2)c1 ZINC000114192073 1412391889 /nfs/dbraw/zinc/39/18/89/1412391889.db2.gz ONNLXOWBAWNBMY-GOSISDBHSA-N 1 1 380.404 3.127 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000114192420 1412392039 /nfs/dbraw/zinc/39/20/39/1412392039.db2.gz LNUHECHRYBOUST-FQEVSTJZSA-N 1 1 383.448 3.214 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000114469789 1412440592 /nfs/dbraw/zinc/44/05/92/1412440592.db2.gz SITKWIIIMBNTKW-HXUWFJFHSA-N 1 1 383.448 3.214 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c2c(c1)COCO2 ZINC000114469496 1412441366 /nfs/dbraw/zinc/44/13/66/1412441366.db2.gz ATTAQINQXMVVND-FQEVSTJZSA-N 1 1 384.432 3.333 20 5 GGBDMO COc1cc(F)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000114501637 1412447292 /nfs/dbraw/zinc/44/72/92/1412447292.db2.gz NUFSDOLGFRJLOQ-NWDGAFQWSA-N 1 1 391.399 3.429 20 5 GGBDMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000114501504 1412447538 /nfs/dbraw/zinc/44/75/38/1412447538.db2.gz FLVWRQYAPADAGQ-RYUDHWBXSA-N 1 1 391.399 3.429 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114643104 1412484608 /nfs/dbraw/zinc/48/46/08/1412484608.db2.gz PHFAZDBKXDCXRC-GOSISDBHSA-N 1 1 383.448 3.145 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114643108 1412485152 /nfs/dbraw/zinc/48/51/52/1412485152.db2.gz PHFAZDBKXDCXRC-SFHVURJKSA-N 1 1 383.448 3.145 20 5 GGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccn2)CC1 ZINC000177261319 1428659160 /nfs/dbraw/zinc/65/91/60/1428659160.db2.gz DLUFIJDWFRTWSN-UHFFFAOYSA-N 1 1 384.480 3.008 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000115271082 1412628152 /nfs/dbraw/zinc/62/81/52/1412628152.db2.gz KDUJUICTMNRYEX-DYVFJYSZSA-N 1 1 383.876 3.115 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000115275371 1412631466 /nfs/dbraw/zinc/63/14/66/1412631466.db2.gz VSZBXVLYUKIAFS-CXAGYDPISA-N 1 1 383.876 3.115 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)C1 ZINC000115521276 1412700033 /nfs/dbraw/zinc/70/00/33/1412700033.db2.gz DFDYMZWKXZKTTM-GDBMZVCRSA-N 1 1 390.484 3.028 20 5 GGBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000115554810 1412709181 /nfs/dbraw/zinc/70/91/81/1412709181.db2.gz LLFJPUHXZVRSTG-UKRRQHHQSA-N 1 1 383.404 3.140 20 5 GGBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000115554810 1412709189 /nfs/dbraw/zinc/70/91/89/1412709189.db2.gz LLFJPUHXZVRSTG-UKRRQHHQSA-N 1 1 383.404 3.140 20 5 GGBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000115554806 1412709585 /nfs/dbraw/zinc/70/95/85/1412709585.db2.gz LLFJPUHXZVRSTG-HIFRSBDPSA-N 1 1 383.404 3.140 20 5 GGBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000115554806 1412709592 /nfs/dbraw/zinc/70/95/92/1412709592.db2.gz LLFJPUHXZVRSTG-HIFRSBDPSA-N 1 1 383.404 3.140 20 5 GGBDMO 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COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000120324493 1413787372 /nfs/dbraw/zinc/78/73/72/1413787372.db2.gz MEASWVNWLSQOOF-CQSZACIVSA-N 1 1 386.452 3.128 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120358929 1413801797 /nfs/dbraw/zinc/80/17/97/1413801797.db2.gz IEPAXZFVVWJMPU-SFHVURJKSA-N 1 1 398.463 3.100 20 5 GGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000120427595 1413815516 /nfs/dbraw/zinc/81/55/16/1413815516.db2.gz QLELFRYEGGDFBI-UHFFFAOYSA-N 1 1 395.525 3.137 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000177475845 1428758382 /nfs/dbraw/zinc/75/83/82/1428758382.db2.gz MHKXQAQDILHDJO-FUHWJXTLSA-N 1 1 382.464 3.176 20 5 GGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000120650568 1413865707 /nfs/dbraw/zinc/86/57/07/1413865707.db2.gz COUBKAAXAZGODU-IAGOWNOFSA-N 1 1 377.441 3.028 20 5 GGBDMO 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CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121141174 1414022021 /nfs/dbraw/zinc/02/20/21/1414022021.db2.gz WEKLAIOVGFCWDT-GDBMZVCRSA-N 1 1 387.484 3.227 20 5 GGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121141441 1414022323 /nfs/dbraw/zinc/02/23/23/1414022323.db2.gz WEKLAIOVGFCWDT-ZBFHGGJFSA-N 1 1 387.484 3.227 20 5 GGBDMO Cc1nn(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121191878 1414039695 /nfs/dbraw/zinc/03/96/95/1414039695.db2.gz VRFHGIXDKJEODX-OAHLLOKOSA-N 1 1 387.484 3.085 20 5 GGBDMO Cc1nn(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121191878 1414039703 /nfs/dbraw/zinc/03/97/03/1414039703.db2.gz VRFHGIXDKJEODX-OAHLLOKOSA-N 1 1 387.484 3.085 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000121225694 1414049880 /nfs/dbraw/zinc/04/98/80/1414049880.db2.gz SBCQOZGIAUYNKY-UHFFFAOYSA-N 1 1 390.443 3.491 20 5 GGBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c([N+](=O)[O-])cc1OC ZINC000177514393 1428777948 /nfs/dbraw/zinc/77/79/48/1428777948.db2.gz ABYGTSJNYNGTOB-UHFFFAOYSA-N 1 1 391.468 3.093 20 5 GGBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000121284190 1414071230 /nfs/dbraw/zinc/07/12/30/1414071230.db2.gz OBRGOYUJPYIYKL-UHFFFAOYSA-N 1 1 381.392 3.316 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000121329944 1414084899 /nfs/dbraw/zinc/08/48/99/1414084899.db2.gz JRTXXKNYKFIJLD-NRFANRHFSA-N 1 1 399.447 3.180 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CCO[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000121329944 1414084903 /nfs/dbraw/zinc/08/49/03/1414084903.db2.gz JRTXXKNYKFIJLD-NRFANRHFSA-N 1 1 399.447 3.180 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121361571 1414095026 /nfs/dbraw/zinc/09/50/26/1414095026.db2.gz WJIGJLVHZSYTIM-OAQYLSRUSA-N 1 1 399.447 3.180 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121361571 1414095034 /nfs/dbraw/zinc/09/50/34/1414095034.db2.gz WJIGJLVHZSYTIM-OAQYLSRUSA-N 1 1 399.447 3.180 20 5 GGBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121382118 1414101967 /nfs/dbraw/zinc/10/19/67/1414101967.db2.gz UCQBQKOWOMGCAH-LJQANCHMSA-N 1 1 379.460 3.392 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000121474281 1414139945 /nfs/dbraw/zinc/13/99/45/1414139945.db2.gz PNWWVMXGZWAPDB-CXAGYDPISA-N 1 1 383.876 3.115 20 5 GGBDMO Cc1[nH+]ccn1CCCOc1cc([N+](=O)[O-])ccc1I ZINC000121521992 1414160774 /nfs/dbraw/zinc/16/07/74/1414160774.db2.gz ICEXLSVSTNKWKI-UHFFFAOYSA-N 1 1 387.177 3.173 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121598813 1414194127 /nfs/dbraw/zinc/19/41/27/1414194127.db2.gz PNLKUUYVTMCDHJ-OAQYLSRUSA-N 1 1 383.448 3.479 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121598813 1414194135 /nfs/dbraw/zinc/19/41/35/1414194135.db2.gz PNLKUUYVTMCDHJ-OAQYLSRUSA-N 1 1 383.448 3.479 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121598979 1414194283 /nfs/dbraw/zinc/19/42/83/1414194283.db2.gz PNLKUUYVTMCDHJ-NRFANRHFSA-N 1 1 383.448 3.479 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121598979 1414194288 /nfs/dbraw/zinc/19/42/88/1414194288.db2.gz PNLKUUYVTMCDHJ-NRFANRHFSA-N 1 1 383.448 3.479 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000121826625 1414270619 /nfs/dbraw/zinc/27/06/19/1414270619.db2.gz XZEKSNDVSCXNDB-OAHLLOKOSA-N 1 1 395.525 3.328 20 5 GGBDMO O=C(C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000121844840 1414276069 /nfs/dbraw/zinc/27/60/69/1414276069.db2.gz DAGVWTIZERDOAD-GDBMZVCRSA-N 1 1 390.461 3.133 20 5 GGBDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121866276 1414283746 /nfs/dbraw/zinc/28/37/46/1414283746.db2.gz BXLRKESVUMGLJT-NSHDSACASA-N 1 1 383.857 3.089 20 5 GGBDMO CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000122075817 1414356337 /nfs/dbraw/zinc/35/63/37/1414356337.db2.gz BYYGHRIKRNRLRX-ZFWWWQNUSA-N 1 1 379.482 3.355 20 5 GGBDMO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122091841 1414361035 /nfs/dbraw/zinc/36/10/35/1414361035.db2.gz JAUYJGJSLAMFHC-UHFFFAOYSA-N 1 1 392.253 3.235 20 5 GGBDMO COC(=O)c1cc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)oc1C ZINC000122378040 1414440136 /nfs/dbraw/zinc/44/01/36/1414440136.db2.gz XNSSENTXWNQBSR-UHFFFAOYSA-N 1 1 389.408 3.052 20 5 GGBDMO COCCCOC1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000122482522 1414477161 /nfs/dbraw/zinc/47/71/61/1414477161.db2.gz VIGXMTTZNYGUGR-CQSZACIVSA-N 1 1 390.440 3.223 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000122523109 1414488919 /nfs/dbraw/zinc/48/89/19/1414488919.db2.gz CACCNMSJBVFYMV-UHFFFAOYSA-N 1 1 378.429 3.196 20 5 GGBDMO Cc1cc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc([N+](=O)[O-])c1 ZINC000122535287 1414492965 /nfs/dbraw/zinc/49/29/65/1414492965.db2.gz BLWIRKCLZKQPNT-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1cc(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc([N+](=O)[O-])c1 ZINC000122535287 1414492967 /nfs/dbraw/zinc/49/29/67/1414492967.db2.gz BLWIRKCLZKQPNT-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1)CC(F)(F)F ZINC000177636654 1428818323 /nfs/dbraw/zinc/81/83/23/1428818323.db2.gz CDAHSHQZFIIBIK-ZDUSSCGKSA-N 1 1 385.390 3.108 20 5 GGBDMO O=C(CC[NH+]1CCN(c2cc(F)ccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000177640493 1428819995 /nfs/dbraw/zinc/81/99/95/1428819995.db2.gz AQFWXNUVWBZDBL-UHFFFAOYSA-N 1 1 390.390 3.024 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000122993170 1414614684 /nfs/dbraw/zinc/61/46/84/1414614684.db2.gz AOVCCKUHODTYSU-UHFFFAOYSA-N 1 1 385.424 3.229 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000123033226 1414623817 /nfs/dbraw/zinc/62/38/17/1414623817.db2.gz PNFLNITURUPFCX-QGZVFWFLSA-N 1 1 398.463 3.290 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000123184453 1414663295 /nfs/dbraw/zinc/66/32/95/1414663295.db2.gz FLCUXLCTNHRIPC-LJQANCHMSA-N 1 1 382.464 3.425 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000123605082 1414792139 /nfs/dbraw/zinc/79/21/39/1414792139.db2.gz GKKYLABUQDVLJH-HZPDHXFCSA-N 1 1 393.509 3.218 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000123604789 1414792251 /nfs/dbraw/zinc/79/22/51/1414792251.db2.gz GKKYLABUQDVLJH-CVEARBPZSA-N 1 1 393.509 3.218 20 5 GGBDMO O=C(C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123635358 1414801674 /nfs/dbraw/zinc/80/16/74/1414801674.db2.gz UPNIVVNRLCMPRJ-ZIAGYGMSSA-N 1 1 399.900 3.173 20 5 GGBDMO O=C(C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123635358 1414801679 /nfs/dbraw/zinc/80/16/79/1414801679.db2.gz UPNIVVNRLCMPRJ-ZIAGYGMSSA-N 1 1 399.900 3.173 20 5 GGBDMO COc1ccc(CSCC(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000123667753 1414806298 /nfs/dbraw/zinc/80/62/98/1414806298.db2.gz HQFHDSPSDQFDEO-OAHLLOKOSA-N 1 1 395.525 3.217 20 5 GGBDMO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123716041 1414814530 /nfs/dbraw/zinc/81/45/30/1414814530.db2.gz IQFBHDFXZXTDML-UHFFFAOYSA-N 1 1 395.456 3.053 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123716041 1414814536 /nfs/dbraw/zinc/81/45/36/1414814536.db2.gz IQFBHDFXZXTDML-UHFFFAOYSA-N 1 1 395.456 3.053 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000123744287 1414818781 /nfs/dbraw/zinc/81/87/81/1414818781.db2.gz UIXPFEVKHZPIPK-IBGZPJMESA-N 1 1 382.464 3.425 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000123749539 1414819603 /nfs/dbraw/zinc/81/96/03/1414819603.db2.gz UBKFBUYWIVHRAX-LJQANCHMSA-N 1 1 382.464 3.045 20 5 GGBDMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123922594 1414850701 /nfs/dbraw/zinc/85/07/01/1414850701.db2.gz NPPODXSCPIOPMJ-ZBEGNZNMSA-N 1 1 381.791 3.403 20 5 GGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123922594 1414850704 /nfs/dbraw/zinc/85/07/04/1414850704.db2.gz NPPODXSCPIOPMJ-ZBEGNZNMSA-N 1 1 381.791 3.403 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000124195167 1414905932 /nfs/dbraw/zinc/90/59/32/1414905932.db2.gz XFCFRDHHTPVXAM-KRWDZBQOSA-N 1 1 388.512 3.293 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000124356915 1414948036 /nfs/dbraw/zinc/94/80/36/1414948036.db2.gz YQGCWTKMZODDEB-INIZCTEOSA-N 1 1 399.495 3.093 20 5 GGBDMO CCc1cnc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000177758616 1428851623 /nfs/dbraw/zinc/85/16/23/1428851623.db2.gz AHMPYCNRPVAKEG-UHFFFAOYSA-N 1 1 378.454 3.083 20 5 GGBDMO CCc1cnc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000177758616 1428851625 /nfs/dbraw/zinc/85/16/25/1428851625.db2.gz AHMPYCNRPVAKEG-UHFFFAOYSA-N 1 1 378.454 3.083 20 5 GGBDMO CCc1cnc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)s1 ZINC000177761578 1428852322 /nfs/dbraw/zinc/85/23/22/1428852322.db2.gz MGXISSVTCZPJNT-UHFFFAOYSA-N 1 1 378.454 3.083 20 5 GGBDMO CCc1cnc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)s1 ZINC000177761578 1428852324 /nfs/dbraw/zinc/85/23/24/1428852324.db2.gz MGXISSVTCZPJNT-UHFFFAOYSA-N 1 1 378.454 3.083 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000124584796 1414999645 /nfs/dbraw/zinc/99/96/45/1414999645.db2.gz HHCODJUAWKVEHI-HXUWFJFHSA-N 1 1 382.464 3.221 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000124584796 1414999646 /nfs/dbraw/zinc/99/96/46/1414999646.db2.gz HHCODJUAWKVEHI-HXUWFJFHSA-N 1 1 382.464 3.221 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000124584796 1414999649 /nfs/dbraw/zinc/99/96/49/1414999649.db2.gz HHCODJUAWKVEHI-HXUWFJFHSA-N 1 1 382.464 3.221 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000177851291 1428873031 /nfs/dbraw/zinc/87/30/31/1428873031.db2.gz BVFKTPIMCUSPDC-KRWDZBQOSA-N 1 1 396.491 3.142 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000177851276 1428873104 /nfs/dbraw/zinc/87/31/04/1428873104.db2.gz BVFKTPIMCUSPDC-QGZVFWFLSA-N 1 1 396.491 3.142 20 5 GGBDMO Cc1c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126253520 1415395058 /nfs/dbraw/zinc/39/50/58/1415395058.db2.gz OYJLJXLBFAKCKN-CYBMUJFWSA-N 1 1 392.456 3.362 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126291525 1415406285 /nfs/dbraw/zinc/40/62/85/1415406285.db2.gz BFHHLQSIKSVQBX-HXUWFJFHSA-N 1 1 399.447 3.314 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126291525 1415406306 /nfs/dbraw/zinc/40/63/06/1415406306.db2.gz BFHHLQSIKSVQBX-HXUWFJFHSA-N 1 1 399.447 3.314 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126291156 1415406494 /nfs/dbraw/zinc/40/64/94/1415406494.db2.gz BFHHLQSIKSVQBX-FQEVSTJZSA-N 1 1 399.447 3.314 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126291156 1415406500 /nfs/dbraw/zinc/40/65/00/1415406500.db2.gz BFHHLQSIKSVQBX-FQEVSTJZSA-N 1 1 399.447 3.314 20 5 GGBDMO Cc1c(CC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000126435856 1415452898 /nfs/dbraw/zinc/45/28/98/1415452898.db2.gz OROASFCBABXNFU-IBGZPJMESA-N 1 1 381.476 3.426 20 5 GGBDMO C[C@]1(O)CC[N@@H+]([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000178001032 1428926600 /nfs/dbraw/zinc/92/66/00/1428926600.db2.gz AHEDBZVMZZSNBH-HKUYNNGSSA-N 1 1 389.839 3.385 20 5 GGBDMO C[C@]1(O)CC[N@H+]([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000178001032 1428926606 /nfs/dbraw/zinc/92/66/06/1428926606.db2.gz AHEDBZVMZZSNBH-HKUYNNGSSA-N 1 1 389.839 3.385 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126727579 1415540797 /nfs/dbraw/zinc/54/07/97/1415540797.db2.gz YUNHTAWCVITMAO-OXQOHEQNSA-N 1 1 386.496 3.262 20 5 GGBDMO O=C(NC[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000178056880 1428959831 /nfs/dbraw/zinc/95/98/31/1428959831.db2.gz QLOPUSWORHWVIJ-QGZVFWFLSA-N 1 1 383.448 3.116 20 5 GGBDMO COc1cc(CN2CCC[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000127320402 1415735710 /nfs/dbraw/zinc/73/57/10/1415735710.db2.gz KUWMDAPJXLFWEK-UHFFFAOYSA-N 1 1 385.464 3.320 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000127594740 1415815884 /nfs/dbraw/zinc/81/58/84/1415815884.db2.gz ICRSJFICMMISMM-UHFFFAOYSA-N 1 1 398.463 3.366 20 5 GGBDMO Cc1ccc(NCCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[nH+]c1 ZINC000127799945 1415852791 /nfs/dbraw/zinc/85/27/91/1415852791.db2.gz KAWXXXWPODLXPG-ZDUSSCGKSA-N 1 1 392.843 3.337 20 5 GGBDMO Cc1ccc(NCCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[nH+]c1 ZINC000127799746 1415852986 /nfs/dbraw/zinc/85/29/86/1415852986.db2.gz KAWXXXWPODLXPG-CYBMUJFWSA-N 1 1 392.843 3.337 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000127837043 1415860340 /nfs/dbraw/zinc/86/03/40/1415860340.db2.gz IHLRNZZKSZBXRD-UXLLHSPISA-N 1 1 390.484 3.317 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000127837043 1415860347 /nfs/dbraw/zinc/86/03/47/1415860347.db2.gz IHLRNZZKSZBXRD-UXLLHSPISA-N 1 1 390.484 3.317 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000127837500 1415860489 /nfs/dbraw/zinc/86/04/89/1415860489.db2.gz IHLRNZZKSZBXRD-INMHGKMJSA-N 1 1 390.484 3.317 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)nc(C)[nH+]1 ZINC000127935753 1415878020 /nfs/dbraw/zinc/87/80/20/1415878020.db2.gz XFLZFOYYTLSLNH-UHFFFAOYSA-N 1 1 398.467 3.409 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178239274 1429028269 /nfs/dbraw/zinc/02/82/69/1429028269.db2.gz RDEFUXUSSYCBCX-CALCHBBNSA-N 1 1 389.496 3.255 20 5 GGBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000128223120 1415943582 /nfs/dbraw/zinc/94/35/82/1415943582.db2.gz IZPVUCSGJCLQCB-UHFFFAOYSA-N 1 1 375.400 3.211 20 5 GGBDMO COc1ccc(OCC[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000128234114 1415944746 /nfs/dbraw/zinc/94/47/46/1415944746.db2.gz AAGPYHRGMUSMRG-UHFFFAOYSA-N 1 1 391.399 3.082 20 5 GGBDMO O=C(CC[N@H+](Cc1ccco1)C[C@@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128357503 1415970028 /nfs/dbraw/zinc/97/00/28/1415970028.db2.gz ZGRVUQYAHQARMM-INIZCTEOSA-N 1 1 391.399 3.337 20 5 GGBDMO O=C(CCN1CCC[C@H]([NH+]2CCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128691057 1416043752 /nfs/dbraw/zinc/04/37/52/1416043752.db2.gz DHZJIXOXXZTUSM-HNNXBMFYSA-N 1 1 378.448 3.013 20 5 GGBDMO O=C(CC[N@H+](CCO)[C@H]1CCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC000128841369 1416082828 /nfs/dbraw/zinc/08/28/28/1416082828.db2.gz XQUJHNUTZPISOX-IBGZPJMESA-N 1 1 387.411 3.044 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000129642555 1416242036 /nfs/dbraw/zinc/24/20/36/1416242036.db2.gz JORZPXTZQJCVSW-UHFFFAOYSA-N 1 1 377.485 3.114 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000129647773 1416242663 /nfs/dbraw/zinc/24/26/63/1416242663.db2.gz HUADPXKYHTXRON-UHFFFAOYSA-N 1 1 377.485 3.114 20 5 GGBDMO Cc1c([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000129926431 1416285949 /nfs/dbraw/zinc/28/59/49/1416285949.db2.gz OAGNBXYVISQMDC-CQSZACIVSA-N 1 1 377.466 3.004 20 5 GGBDMO CC(C)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1nc(C2CC2)no1 ZINC000129996749 1416299773 /nfs/dbraw/zinc/29/97/73/1416299773.db2.gz SLDKSRQUTBDKBD-MRXNPFEDSA-N 1 1 391.403 3.310 20 5 GGBDMO O=C(CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc2c(c1)OCO2 ZINC000130032526 1416305855 /nfs/dbraw/zinc/30/58/55/1416305855.db2.gz MGZQLXWCZPODRQ-UHFFFAOYSA-N 1 1 383.404 3.317 20 5 GGBDMO CCn1c(=O)c2cc3ccccc3cc2nc1SCCCN1CC[NH+](C)CC1 ZINC000130170740 1416331683 /nfs/dbraw/zinc/33/16/83/1416331683.db2.gz PGIRSMGAUNKECV-UHFFFAOYSA-N 1 1 396.560 3.299 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130323751 1416357916 /nfs/dbraw/zinc/35/79/16/1416357916.db2.gz GYSHOOIQVCTIKQ-UHFFFAOYSA-N 1 1 385.449 3.433 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130330711 1416359392 /nfs/dbraw/zinc/35/93/92/1416359392.db2.gz ZHHBGYWHOOVSFE-LBPRGKRZSA-N 1 1 380.832 3.117 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130330542 1416359640 /nfs/dbraw/zinc/35/96/40/1416359640.db2.gz ZHHBGYWHOOVSFE-GFCCVEGCSA-N 1 1 380.832 3.117 20 5 GGBDMO Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130433391 1416377300 /nfs/dbraw/zinc/37/73/00/1416377300.db2.gz DPPYGWQTMDRZMU-GFCCVEGCSA-N 1 1 379.848 3.102 20 5 GGBDMO Cc1nccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130433163 1416377613 /nfs/dbraw/zinc/37/76/13/1416377613.db2.gz DPPYGWQTMDRZMU-LBPRGKRZSA-N 1 1 379.848 3.102 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000130540012 1416395593 /nfs/dbraw/zinc/39/55/93/1416395593.db2.gz MQBCBCAJUSAZFG-UHFFFAOYSA-N 1 1 399.495 3.498 20 5 GGBDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000130577579 1416402650 /nfs/dbraw/zinc/40/26/50/1416402650.db2.gz KRQWTSIPIUOONQ-KRWDZBQOSA-N 1 1 397.522 3.159 20 5 GGBDMO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000130577821 1416402714 /nfs/dbraw/zinc/40/27/14/1416402714.db2.gz KRQWTSIPIUOONQ-QGZVFWFLSA-N 1 1 397.522 3.159 20 5 GGBDMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000130670878 1416422154 /nfs/dbraw/zinc/42/21/54/1416422154.db2.gz LPWHPXBNEAPWJK-UHFFFAOYSA-N 1 1 393.365 3.407 20 5 GGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C2CC2)cc1 ZINC000130747474 1416441385 /nfs/dbraw/zinc/44/13/85/1416441385.db2.gz LRWFURGKVKMIBT-SFHVURJKSA-N 1 1 381.432 3.480 20 5 GGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C2CC2)cc1 ZINC000130747292 1416441481 /nfs/dbraw/zinc/44/14/81/1416441481.db2.gz LRWFURGKVKMIBT-GOSISDBHSA-N 1 1 381.432 3.480 20 5 GGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000130842447 1416464935 /nfs/dbraw/zinc/46/49/35/1416464935.db2.gz UFOZGHPZQMZSQO-YJBOKZPZSA-N 1 1 382.464 3.302 20 5 GGBDMO O=C(c1c[nH]c2ccccc12)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000130994961 1416493104 /nfs/dbraw/zinc/49/31/04/1416493104.db2.gz BBYFIUVLLAGVPS-HXUWFJFHSA-N 1 1 389.415 3.486 20 5 GGBDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCOCC1 ZINC000131042115 1416500122 /nfs/dbraw/zinc/50/01/22/1416500122.db2.gz VZFZFKAPRNYCDM-IBGZPJMESA-N 1 1 399.447 3.068 20 5 GGBDMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCOCC1 ZINC000131042115 1416500124 /nfs/dbraw/zinc/50/01/24/1416500124.db2.gz VZFZFKAPRNYCDM-IBGZPJMESA-N 1 1 399.447 3.068 20 5 GGBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000131225668 1416526136 /nfs/dbraw/zinc/52/61/36/1416526136.db2.gz QKWNDUXQJQEVPX-HNNXBMFYSA-N 1 1 381.436 3.438 20 5 GGBDMO CCOc1cc2c(cc1OCC)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000178567703 1429108921 /nfs/dbraw/zinc/10/89/21/1429108921.db2.gz YIINSVOTWZQGKK-LJQANCHMSA-N 1 1 386.448 3.484 20 5 GGBDMO CCOc1cc2c(cc1OCC)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000178567703 1429108926 /nfs/dbraw/zinc/10/89/26/1429108926.db2.gz YIINSVOTWZQGKK-LJQANCHMSA-N 1 1 386.448 3.484 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000131751378 1416611718 /nfs/dbraw/zinc/61/17/18/1416611718.db2.gz CTSSIGDAMNFCLK-UHFFFAOYSA-N 1 1 383.448 3.136 20 5 GGBDMO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000132015333 1416674195 /nfs/dbraw/zinc/67/41/95/1416674195.db2.gz CREIAWFXPGRVPM-OAHLLOKOSA-N 1 1 385.468 3.055 20 5 GGBDMO CC[N@@H+](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000132071778 1416687922 /nfs/dbraw/zinc/68/79/22/1416687922.db2.gz FGXQPGCTCPIRMM-UHFFFAOYSA-N 1 1 390.665 3.225 20 5 GGBDMO Cc1ccc(CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccco2)cc1 ZINC000132276473 1416727708 /nfs/dbraw/zinc/72/77/08/1416727708.db2.gz KMOLIOMBRPLEBL-UHFFFAOYSA-N 1 1 381.432 3.403 20 5 GGBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000132279411 1416728045 /nfs/dbraw/zinc/72/80/45/1416728045.db2.gz LLGBBMUZLKZDSG-INIZCTEOSA-N 1 1 395.525 3.184 20 5 GGBDMO COc1cc(C[NH2+][C@@]2(CO)CCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000132458900 1416764632 /nfs/dbraw/zinc/76/46/32/1416764632.db2.gz GPFPZCZIELSAIZ-LJQANCHMSA-N 1 1 394.374 3.128 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000132499478 1416773603 /nfs/dbraw/zinc/77/36/03/1416773603.db2.gz NSAORSGDQWAJQH-DOTOQJQBSA-N 1 1 391.493 3.186 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CO[C@H]1CCCc3ccccc31)CC2 ZINC000132590327 1416789686 /nfs/dbraw/zinc/78/96/86/1416789686.db2.gz FQAQVUJAADGVLD-UNMCSNQZSA-N 1 1 382.460 3.408 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CO[C@H]1CCCc3ccccc31)CC2 ZINC000132590327 1416789689 /nfs/dbraw/zinc/78/96/89/1416789689.db2.gz FQAQVUJAADGVLD-UNMCSNQZSA-N 1 1 382.460 3.408 20 5 GGBDMO Cc1cccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccn2)c1 ZINC000133035362 1416844460 /nfs/dbraw/zinc/84/44/60/1416844460.db2.gz DEBWFRZUQMYSCE-UHFFFAOYSA-N 1 1 378.432 3.162 20 5 GGBDMO Cc1cccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccn2)c1 ZINC000133035362 1416844461 /nfs/dbraw/zinc/84/44/61/1416844461.db2.gz DEBWFRZUQMYSCE-UHFFFAOYSA-N 1 1 378.432 3.162 20 5 GGBDMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000178682985 1429139951 /nfs/dbraw/zinc/13/99/51/1429139951.db2.gz NQTFIVSCTZQGCX-QGZVFWFLSA-N 1 1 397.475 3.360 20 5 GGBDMO CCOC(=O)c1ccnc(N2CCC[N@@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000133423719 1416888575 /nfs/dbraw/zinc/88/85/75/1416888575.db2.gz PVSNFEZABGDBEP-UHFFFAOYSA-N 1 1 390.484 3.259 20 5 GGBDMO Cc1ccc(NC(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000133601330 1416915663 /nfs/dbraw/zinc/91/56/63/1416915663.db2.gz IMNYMPWYZNATAG-UHFFFAOYSA-N 1 1 396.447 3.117 20 5 GGBDMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000133777072 1416961133 /nfs/dbraw/zinc/96/11/33/1416961133.db2.gz UVNLEAJVUSPMGO-UHFFFAOYSA-N 1 1 389.477 3.010 20 5 GGBDMO Cc1nc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000133998406 1417007916 /nfs/dbraw/zinc/00/79/16/1417007916.db2.gz PDWMROGYHYHJCQ-OKILXGFUSA-N 1 1 384.436 3.160 20 5 GGBDMO Cc1nc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000133998406 1417007919 /nfs/dbraw/zinc/00/79/19/1417007919.db2.gz PDWMROGYHYHJCQ-OKILXGFUSA-N 1 1 384.436 3.160 20 5 GGBDMO CC[C@@H](O)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000134505409 1417078163 /nfs/dbraw/zinc/07/81/63/1417078163.db2.gz BBJWSLYKTDUNIO-GOSISDBHSA-N 1 1 382.420 3.418 20 5 GGBDMO CC[C@@H](O)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000134505409 1417078168 /nfs/dbraw/zinc/07/81/68/1417078168.db2.gz BBJWSLYKTDUNIO-GOSISDBHSA-N 1 1 382.420 3.418 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000134651653 1417106119 /nfs/dbraw/zinc/10/61/19/1417106119.db2.gz HQZVNJPTXPUBPK-LSDHHAIUSA-N 1 1 379.457 3.351 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000134669155 1417110729 /nfs/dbraw/zinc/11/07/29/1417110729.db2.gz YNYMRJXQJABAJI-LSDHHAIUSA-N 1 1 379.457 3.351 20 5 GGBDMO O=C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000134863993 1417135836 /nfs/dbraw/zinc/13/58/36/1417135836.db2.gz PUGSFBYRPLTFFO-DYVFJYSZSA-N 1 1 392.887 3.135 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134889993 1417140809 /nfs/dbraw/zinc/14/08/09/1417140809.db2.gz JOSJGTVTQDXKFQ-JXXFODFXSA-N 1 1 386.496 3.179 20 5 GGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000135036500 1417165684 /nfs/dbraw/zinc/16/56/84/1417165684.db2.gz VWOFZDRUONUZBY-UHFFFAOYSA-N 1 1 385.489 3.495 20 5 GGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000135036500 1417165687 /nfs/dbraw/zinc/16/56/87/1417165687.db2.gz VWOFZDRUONUZBY-UHFFFAOYSA-N 1 1 385.489 3.495 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000135995424 1417284731 /nfs/dbraw/zinc/28/47/31/1417284731.db2.gz MEEMGNUJLJUHAU-GJZGRUSLSA-N 1 1 395.525 3.184 20 5 GGBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136504041 1417322129 /nfs/dbraw/zinc/32/21/29/1417322129.db2.gz ZLYRGBYOQXFXSX-UHFFFAOYSA-N 1 1 389.839 3.010 20 5 GGBDMO COc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000137458307 1417386975 /nfs/dbraw/zinc/38/69/75/1417386975.db2.gz AKAXIQVAFWKAQI-HOCLYGCPSA-N 1 1 399.447 3.005 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137846531 1417397726 /nfs/dbraw/zinc/39/77/26/1417397726.db2.gz QXIYMNNYLDFJQH-GUYCJALGSA-N 1 1 398.419 3.204 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000138257416 1417408900 /nfs/dbraw/zinc/40/89/00/1417408900.db2.gz KZJBLFUBCFGUFJ-HUUCEWRRSA-N 1 1 395.525 3.184 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000138464155 1417417542 /nfs/dbraw/zinc/41/75/42/1417417542.db2.gz MAGPVLQIJFUWGE-FOIQADDNSA-N 1 1 399.447 3.394 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000138464155 1417417557 /nfs/dbraw/zinc/41/75/57/1417417557.db2.gz MAGPVLQIJFUWGE-FOIQADDNSA-N 1 1 399.447 3.394 20 5 GGBDMO Cc1cccc([C@H]2CCC[N@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000140212854 1417492852 /nfs/dbraw/zinc/49/28/52/1417492852.db2.gz PHVAFVYGWLEQAI-QGZVFWFLSA-N 1 1 382.420 3.433 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000140301988 1417497380 /nfs/dbraw/zinc/49/73/80/1417497380.db2.gz FTQCKXHKZDSGTR-GOSISDBHSA-N 1 1 384.436 3.473 20 5 GGBDMO Cc1cc[nH+]c(N2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000141783657 1417555850 /nfs/dbraw/zinc/55/58/50/1417555850.db2.gz NBGBVEVUKSIDAL-UHFFFAOYSA-N 1 1 397.479 3.153 20 5 GGBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000178867791 1429202312 /nfs/dbraw/zinc/20/23/12/1429202312.db2.gz AEFBGEPHPIENOR-QGZVFWFLSA-N 1 1 384.461 3.060 20 5 GGBDMO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000145735756 1417698433 /nfs/dbraw/zinc/69/84/33/1417698433.db2.gz FQQKSCFPAJVHFB-UHFFFAOYSA-N 1 1 399.476 3.175 20 5 GGBDMO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000178877051 1429207596 /nfs/dbraw/zinc/20/75/96/1429207596.db2.gz YLZZOMVEMZIXRI-IRXDYDNUSA-N 1 1 394.541 3.066 20 5 GGBDMO COc1cc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000149625772 1417778658 /nfs/dbraw/zinc/77/86/58/1417778658.db2.gz AAUZXHDXDVLHIH-GASCZTMLSA-N 1 1 393.484 3.100 20 5 GGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150907081 1417832387 /nfs/dbraw/zinc/83/23/87/1417832387.db2.gz YONGZDGCNOBRDU-NSHDSACASA-N 1 1 385.848 3.239 20 5 GGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150907081 1417832392 /nfs/dbraw/zinc/83/23/92/1417832392.db2.gz YONGZDGCNOBRDU-NSHDSACASA-N 1 1 385.848 3.239 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccccc1C[NH+]1CCSCC1 ZINC000151120548 1417876339 /nfs/dbraw/zinc/87/63/39/1417876339.db2.gz MYZIQVBODOLFNK-UHFFFAOYSA-N 1 1 389.452 3.464 20 5 GGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000151725139 1418071936 /nfs/dbraw/zinc/07/19/36/1418071936.db2.gz KWSFNGYHZUMZQX-FQEVSTJZSA-N 1 1 381.476 3.208 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccco3)n2)c1 ZINC000151740662 1418075631 /nfs/dbraw/zinc/07/56/31/1418075631.db2.gz UYFDGQVVCCRTQM-HOCLYGCPSA-N 1 1 384.392 3.326 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccco3)n2)c1 ZINC000151740662 1418075638 /nfs/dbraw/zinc/07/56/38/1418075638.db2.gz UYFDGQVVCCRTQM-HOCLYGCPSA-N 1 1 384.392 3.326 20 5 GGBDMO CC(C)NC(=O)c1ccc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000151973593 1418109454 /nfs/dbraw/zinc/10/94/54/1418109454.db2.gz SLJSDZQQXSQYEY-IYBDPMFKSA-N 1 1 392.500 3.034 20 5 GGBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000152023303 1418122989 /nfs/dbraw/zinc/12/29/89/1418122989.db2.gz WGQAFVCSIPGCFV-UHFFFAOYSA-N 1 1 395.525 3.013 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000152247879 1418183238 /nfs/dbraw/zinc/18/32/38/1418183238.db2.gz QCUBDCTWRMWBPA-HNNXBMFYSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cccc1[N+](=O)[O-] ZINC000152247879 1418183247 /nfs/dbraw/zinc/18/32/47/1418183247.db2.gz QCUBDCTWRMWBPA-HNNXBMFYSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cccc1[N+](=O)[O-] ZINC000152247879 1418183255 /nfs/dbraw/zinc/18/32/55/1418183255.db2.gz QCUBDCTWRMWBPA-HNNXBMFYSA-N 1 1 398.467 3.107 20 5 GGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000179253091 1429305778 /nfs/dbraw/zinc/30/57/78/1429305778.db2.gz GLPHPKMBRVUFQE-CXAGYDPISA-N 1 1 375.812 3.307 20 5 GGBDMO O=[N+]([O-])c1c(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc2ncccc21 ZINC000179261259 1429307893 /nfs/dbraw/zinc/30/78/93/1429307893.db2.gz LCKDWNMRKFXVBZ-SJORKVTESA-N 1 1 378.432 3.190 20 5 GGBDMO COc1cc(C[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000179397630 1429358976 /nfs/dbraw/zinc/35/89/76/1429358976.db2.gz ZXVFEXYNQNLNOO-LLVKDONJSA-N 1 1 378.347 3.155 20 5 GGBDMO COc1cc(C[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000179397630 1429358982 /nfs/dbraw/zinc/35/89/82/1429358982.db2.gz ZXVFEXYNQNLNOO-LLVKDONJSA-N 1 1 378.347 3.155 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179450572 1429381276 /nfs/dbraw/zinc/38/12/76/1429381276.db2.gz JNMHPXYDOWAMJH-JLTOFOAXSA-N 1 1 382.464 3.094 20 5 GGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)cc1 ZINC000179535077 1429415359 /nfs/dbraw/zinc/41/53/59/1429415359.db2.gz KRMBGRUDIFCZBS-UHFFFAOYSA-N 1 1 391.431 3.499 20 5 GGBDMO CCc1ccc([C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000179562842 1429436046 /nfs/dbraw/zinc/43/60/46/1429436046.db2.gz PPIGSCGEHGNNQG-OAHLLOKOSA-N 1 1 397.522 3.337 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](OCCO)C3)o2)c(Cl)c1 ZINC000179570032 1429440111 /nfs/dbraw/zinc/44/01/11/1429440111.db2.gz QZJIAVVHMAKSAY-AWEZNQCLSA-N 1 1 380.828 3.482 20 5 GGBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000179581153 1429450364 /nfs/dbraw/zinc/45/03/64/1429450364.db2.gz ABZUOVNWHQEHJK-OAHLLOKOSA-N 1 1 375.812 3.490 20 5 GGBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000179581153 1429450378 /nfs/dbraw/zinc/45/03/78/1429450378.db2.gz ABZUOVNWHQEHJK-OAHLLOKOSA-N 1 1 375.812 3.490 20 5 GGBDMO CC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1F ZINC000179617389 1429473096 /nfs/dbraw/zinc/47/30/96/1429473096.db2.gz KWXOGWPATRZPMO-ZDUSSCGKSA-N 1 1 393.346 3.281 20 5 GGBDMO CCC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000179642135 1429485645 /nfs/dbraw/zinc/48/56/45/1429485645.db2.gz RRFLHGVLWPGODX-MRXNPFEDSA-N 1 1 378.450 3.254 20 5 GGBDMO CCC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000179642135 1429485647 /nfs/dbraw/zinc/48/56/47/1429485647.db2.gz RRFLHGVLWPGODX-MRXNPFEDSA-N 1 1 378.450 3.254 20 5 GGBDMO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@H+]1CCc2ccccc2C1 ZINC000152438726 1422103105 /nfs/dbraw/zinc/10/31/05/1422103105.db2.gz GHMBQHQMGQJRIC-INIZCTEOSA-N 1 1 394.475 3.109 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000152769008 1422242171 /nfs/dbraw/zinc/24/21/71/1422242171.db2.gz GFZCGYWPWLGQIH-MRXNPFEDSA-N 1 1 395.525 3.260 20 5 GGBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000152792564 1422250304 /nfs/dbraw/zinc/25/03/04/1422250304.db2.gz YGPADFQMHXLGOH-UHFFFAOYSA-N 1 1 394.475 3.111 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CCOC3(C2)CCCCCC3)c([N+](=O)[O-])c1 ZINC000152913608 1422294190 /nfs/dbraw/zinc/29/41/90/1422294190.db2.gz PKTRIBQEGFDCJS-UHFFFAOYSA-N 1 1 391.468 3.357 20 5 GGBDMO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H]1CCC[N@@H+](C)C1 ZINC000152983854 1422316260 /nfs/dbraw/zinc/31/62/60/1422316260.db2.gz XHCVHJLLHOEQTH-SNVBAGLBSA-N 1 1 390.665 3.177 20 5 GGBDMO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H]1CCC[N@@H+](C)C1 ZINC000152983746 1422316329 /nfs/dbraw/zinc/31/63/29/1422316329.db2.gz XHCVHJLLHOEQTH-JTQLQIEISA-N 1 1 390.665 3.177 20 5 GGBDMO CCCCCNC(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000153007723 1422323698 /nfs/dbraw/zinc/32/36/98/1422323698.db2.gz UHAITVGEGFIHBS-UHFFFAOYSA-N 1 1 393.484 3.130 20 5 GGBDMO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153007072 1422324022 /nfs/dbraw/zinc/32/40/22/1422324022.db2.gz DOQUAKRHZWZJDT-LJQANCHMSA-N 1 1 391.431 3.491 20 5 GGBDMO CN1CCO[C@@H]([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000179764697 1429548191 /nfs/dbraw/zinc/54/81/91/1429548191.db2.gz UPQXSZSXKCOZSH-RTBURBONSA-N 1 1 375.856 3.410 20 5 GGBDMO Cc1cc[nH+]c(N2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000153035878 1422334869 /nfs/dbraw/zinc/33/48/69/1422334869.db2.gz PRUYUGJEFUDFKM-UHFFFAOYSA-N 1 1 390.447 3.390 20 5 GGBDMO CC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cc(F)ccc1F ZINC000179770342 1429551600 /nfs/dbraw/zinc/55/16/00/1429551600.db2.gz HPCWNECRILFCDT-CYBMUJFWSA-N 1 1 393.346 3.281 20 5 GGBDMO CN(C)S(=O)(=O)c1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153286680 1422443121 /nfs/dbraw/zinc/44/31/21/1422443121.db2.gz COBLSZCRPMZJEB-UHFFFAOYSA-N 1 1 389.477 3.010 20 5 GGBDMO CN(C)S(=O)(=O)c1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153286680 1422443147 /nfs/dbraw/zinc/44/31/47/1422443147.db2.gz COBLSZCRPMZJEB-UHFFFAOYSA-N 1 1 389.477 3.010 20 5 GGBDMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153331872 1422474770 /nfs/dbraw/zinc/47/47/70/1422474770.db2.gz RMUJPKQLHUYBJC-FQEVSTJZSA-N 1 1 384.432 3.202 20 5 GGBDMO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153331872 1422474782 /nfs/dbraw/zinc/47/47/82/1422474782.db2.gz RMUJPKQLHUYBJC-FQEVSTJZSA-N 1 1 384.432 3.202 20 5 GGBDMO CSc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153357475 1422490093 /nfs/dbraw/zinc/49/00/93/1422490093.db2.gz KGNKXMGYQWEWSB-GDBMZVCRSA-N 1 1 375.494 3.406 20 5 GGBDMO CSc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153357583 1422490836 /nfs/dbraw/zinc/49/08/36/1422490836.db2.gz KGNKXMGYQWEWSB-ZBFHGGJFSA-N 1 1 375.494 3.406 20 5 GGBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153365945 1422497415 /nfs/dbraw/zinc/49/74/15/1422497415.db2.gz QTMAFSYKEVUPFM-KXBFYZLASA-N 1 1 384.480 3.258 20 5 GGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000153372203 1422501813 /nfs/dbraw/zinc/50/18/13/1422501813.db2.gz AVYHBWMMSKXVJB-DYVFJYSZSA-N 1 1 375.494 3.406 20 5 GGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000153372414 1422502533 /nfs/dbraw/zinc/50/25/33/1422502533.db2.gz AVYHBWMMSKXVJB-GUYCJALGSA-N 1 1 375.494 3.406 20 5 GGBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153379187 1422506030 /nfs/dbraw/zinc/50/60/30/1422506030.db2.gz XOXCTIGTKDSSJA-INIZCTEOSA-N 1 1 386.452 3.378 20 5 GGBDMO CC[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CC(F)F ZINC000153516304 1422580300 /nfs/dbraw/zinc/58/03/00/1422580300.db2.gz QVDVHQLEEHQHFI-OAHLLOKOSA-N 1 1 394.422 3.454 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000153548022 1422604184 /nfs/dbraw/zinc/60/41/84/1422604184.db2.gz YKVXEFLVVUMDSR-UHFFFAOYSA-N 1 1 376.844 3.364 20 5 GGBDMO Cc1c(NC(=O)CC[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cccc1[N+](=O)[O-] ZINC000179805525 1429578769 /nfs/dbraw/zinc/57/87/69/1429578769.db2.gz KADCOCSAPWGFKF-QGZVFWFLSA-N 1 1 387.440 3.479 20 5 GGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+](C)Cc1ccccc1 ZINC000153899420 1422807783 /nfs/dbraw/zinc/80/77/83/1422807783.db2.gz QZKXSBWNESNAQK-OAHLLOKOSA-N 1 1 378.432 3.393 20 5 GGBDMO C[C@@H](Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000153937002 1422813801 /nfs/dbraw/zinc/81/38/01/1422813801.db2.gz BUOOGIIYFPVKOF-NVXWUHKLSA-N 1 1 397.479 3.329 20 5 GGBDMO C[C@@H](Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000153937244 1422813885 /nfs/dbraw/zinc/81/38/85/1422813885.db2.gz BUOOGIIYFPVKOF-WBVHZDCISA-N 1 1 397.479 3.329 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000153956126 1422816693 /nfs/dbraw/zinc/81/66/93/1422816693.db2.gz YULSOIZJDVMDQD-OAHLLOKOSA-N 1 1 395.525 3.041 20 5 GGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000153959442 1422817192 /nfs/dbraw/zinc/81/71/92/1422817192.db2.gz NINHBZNCVKKBRB-MSOLQXFVSA-N 1 1 389.452 3.172 20 5 GGBDMO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000154002253 1422824020 /nfs/dbraw/zinc/82/40/20/1422824020.db2.gz NJIYXGCAMRJQSF-CVEARBPZSA-N 1 1 381.860 3.466 20 5 GGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000154002253 1422824021 /nfs/dbraw/zinc/82/40/21/1422824021.db2.gz NJIYXGCAMRJQSF-CVEARBPZSA-N 1 1 381.860 3.466 20 5 GGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000154032785 1422829125 /nfs/dbraw/zinc/82/91/25/1422829125.db2.gz RWVWJASDTKKHJH-ZWKOTPCHSA-N 1 1 391.468 3.212 20 5 GGBDMO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000154062572 1422834040 /nfs/dbraw/zinc/83/40/40/1422834040.db2.gz UCOZIJDFHMEOAO-MJGOQNOKSA-N 1 1 398.507 3.284 20 5 GGBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000154077007 1422836483 /nfs/dbraw/zinc/83/64/83/1422836483.db2.gz OXEXOOAKGPCNNX-FCEWJHQRSA-N 1 1 386.448 3.111 20 5 GGBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000154077007 1422836485 /nfs/dbraw/zinc/83/64/85/1422836485.db2.gz OXEXOOAKGPCNNX-FCEWJHQRSA-N 1 1 386.448 3.111 20 5 GGBDMO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000154184192 1422851719 /nfs/dbraw/zinc/85/17/19/1422851719.db2.gz MMGRIVKHJNSRRH-AWEZNQCLSA-N 1 1 387.436 3.461 20 5 GGBDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000154184192 1422851720 /nfs/dbraw/zinc/85/17/20/1422851720.db2.gz MMGRIVKHJNSRRH-AWEZNQCLSA-N 1 1 387.436 3.461 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cc1OC ZINC000154340460 1422875421 /nfs/dbraw/zinc/87/54/21/1422875421.db2.gz OMXFHEMZCFNTCU-HNNXBMFYSA-N 1 1 393.484 3.242 20 5 GGBDMO CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154364679 1422878706 /nfs/dbraw/zinc/87/87/06/1422878706.db2.gz RORDAPUXALHXHD-PMACEKPBSA-N 1 1 376.428 3.459 20 5 GGBDMO CC(C)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(F)cc1 ZINC000154364796 1422878862 /nfs/dbraw/zinc/87/88/62/1422878862.db2.gz RORDAPUXALHXHD-UXHICEINSA-N 1 1 376.428 3.459 20 5 GGBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCN(c2ccccn2)CC1 ZINC000154385529 1422881982 /nfs/dbraw/zinc/88/19/82/1422881982.db2.gz KIRZGSZTESJMGE-FQEVSTJZSA-N 1 1 384.480 3.262 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000154386410 1422882358 /nfs/dbraw/zinc/88/23/58/1422882358.db2.gz JJUNUXQFXRMNMC-UHFFFAOYSA-N 1 1 376.376 3.146 20 5 GGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC[C@@H]21 ZINC000154393817 1422883228 /nfs/dbraw/zinc/88/32/28/1422883228.db2.gz DQLZEJJVADMBLX-LPHOPBHVSA-N 1 1 386.496 3.141 20 5 GGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154522084 1422900575 /nfs/dbraw/zinc/90/05/75/1422900575.db2.gz GKWVMVUMKRPNCI-SFHVURJKSA-N 1 1 375.400 3.116 20 5 GGBDMO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154522084 1422900591 /nfs/dbraw/zinc/90/05/91/1422900591.db2.gz GKWVMVUMKRPNCI-SFHVURJKSA-N 1 1 375.400 3.116 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000154572217 1422938621 /nfs/dbraw/zinc/93/86/21/1422938621.db2.gz YUKOSDDUWNAFEY-KRWDZBQOSA-N 1 1 386.448 3.387 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000154572217 1422938638 /nfs/dbraw/zinc/93/86/38/1422938638.db2.gz YUKOSDDUWNAFEY-KRWDZBQOSA-N 1 1 386.448 3.387 20 5 GGBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Cc1ccc(F)cc1 ZINC000154588524 1422945980 /nfs/dbraw/zinc/94/59/80/1422945980.db2.gz NEDBNKAFKFJNKQ-UHFFFAOYSA-N 1 1 382.395 3.144 20 5 GGBDMO CNC(=O)CCC[N@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000154660078 1422989796 /nfs/dbraw/zinc/98/97/96/1422989796.db2.gz HFKPAFQDARQSAO-FQEVSTJZSA-N 1 1 398.463 3.041 20 5 GGBDMO CNC(=O)CCC[N@@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000154660078 1422989814 /nfs/dbraw/zinc/98/98/14/1422989814.db2.gz HFKPAFQDARQSAO-FQEVSTJZSA-N 1 1 398.463 3.041 20 5 GGBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCOCc1ccccc1 ZINC000154711211 1423008640 /nfs/dbraw/zinc/00/86/40/1423008640.db2.gz CFLINZNEODCQSC-UHFFFAOYSA-N 1 1 385.420 3.041 20 5 GGBDMO COc1ccc([C@@H]2CC[N@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C2)cc1 ZINC000154728554 1423013797 /nfs/dbraw/zinc/01/37/97/1423013797.db2.gz CVNRALGGSJEHPO-QGZVFWFLSA-N 1 1 396.447 3.292 20 5 GGBDMO COc1ccc([C@@H]2CC[N@@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C2)cc1 ZINC000154728554 1423013806 /nfs/dbraw/zinc/01/38/06/1423013806.db2.gz CVNRALGGSJEHPO-QGZVFWFLSA-N 1 1 396.447 3.292 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000154805039 1423039869 /nfs/dbraw/zinc/03/98/69/1423039869.db2.gz XMGVFOQFMYWRNP-RDTXWAMCSA-N 1 1 380.448 3.232 20 5 GGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155153636 1423199808 /nfs/dbraw/zinc/19/98/08/1423199808.db2.gz UNVPWITVMDZMKC-NSHDSACASA-N 1 1 385.262 3.163 20 5 GGBDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155224342 1423256629 /nfs/dbraw/zinc/25/66/29/1423256629.db2.gz UQORNSAUAWQJCH-NSHDSACASA-N 1 1 385.262 3.211 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c([N+](=O)[O-])c1 ZINC000155297796 1423305813 /nfs/dbraw/zinc/30/58/13/1423305813.db2.gz XVJNURJBMHBTPI-MRXNPFEDSA-N 1 1 399.447 3.430 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c([N+](=O)[O-])c1 ZINC000155297796 1423305825 /nfs/dbraw/zinc/30/58/25/1423305825.db2.gz XVJNURJBMHBTPI-MRXNPFEDSA-N 1 1 399.447 3.430 20 5 GGBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000155392771 1423346002 /nfs/dbraw/zinc/34/60/02/1423346002.db2.gz SOIAJBDKPDPQBN-UHFFFAOYSA-N 1 1 376.376 3.146 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179944292 1429655379 /nfs/dbraw/zinc/65/53/79/1429655379.db2.gz NFQZGWZSLNHBHT-LBPRGKRZSA-N 1 1 396.394 3.350 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000156082842 1423665002 /nfs/dbraw/zinc/66/50/02/1423665002.db2.gz NSLGJUJQAGPUJM-HLLBOEOZSA-N 1 1 376.457 3.009 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000156082842 1423665007 /nfs/dbraw/zinc/66/50/07/1423665007.db2.gz NSLGJUJQAGPUJM-HLLBOEOZSA-N 1 1 376.457 3.009 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000156143908 1423693477 /nfs/dbraw/zinc/69/34/77/1423693477.db2.gz BVHLCICQNXNBMQ-INIZCTEOSA-N 1 1 385.439 3.399 20 5 GGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156347782 1423790563 /nfs/dbraw/zinc/79/05/63/1423790563.db2.gz FJILTTBBEPJIOI-DYVFJYSZSA-N 1 1 381.392 3.254 20 5 GGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156347782 1423790569 /nfs/dbraw/zinc/79/05/69/1423790569.db2.gz FJILTTBBEPJIOI-DYVFJYSZSA-N 1 1 381.392 3.254 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000156489226 1423817356 /nfs/dbraw/zinc/81/73/56/1423817356.db2.gz XZGNXDFXQRTMTL-MRXNPFEDSA-N 1 1 396.447 3.057 20 5 GGBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000156492662 1423818236 /nfs/dbraw/zinc/81/82/36/1423818236.db2.gz LQXZBXZEQBPVJV-OAHLLOKOSA-N 1 1 398.463 3.146 20 5 GGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000156492662 1423818239 /nfs/dbraw/zinc/81/82/39/1423818239.db2.gz LQXZBXZEQBPVJV-OAHLLOKOSA-N 1 1 398.463 3.146 20 5 GGBDMO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179984754 1429674735 /nfs/dbraw/zinc/67/47/35/1429674735.db2.gz KZJCSHZLQLBABN-UHFFFAOYSA-N 1 1 387.386 3.431 20 5 GGBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000156530310 1423823841 /nfs/dbraw/zinc/82/38/41/1423823841.db2.gz UOWZQEQEDBFHTJ-HNNXBMFYSA-N 1 1 398.463 3.146 20 5 GGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000156530310 1423823845 /nfs/dbraw/zinc/82/38/45/1423823845.db2.gz UOWZQEQEDBFHTJ-HNNXBMFYSA-N 1 1 398.463 3.146 20 5 GGBDMO Nc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000156621066 1423837072 /nfs/dbraw/zinc/83/70/72/1423837072.db2.gz GVUINDNAZXSLTE-ICSRJNTNSA-N 1 1 394.475 3.304 20 5 GGBDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1O ZINC000156863114 1423876976 /nfs/dbraw/zinc/87/69/76/1423876976.db2.gz MTGSKKFFVHHSMH-NSHDSACASA-N 1 1 393.827 3.421 20 5 GGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1O ZINC000156863114 1423876980 /nfs/dbraw/zinc/87/69/80/1423876980.db2.gz MTGSKKFFVHHSMH-NSHDSACASA-N 1 1 393.827 3.421 20 5 GGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000157348164 1423991873 /nfs/dbraw/zinc/99/18/73/1423991873.db2.gz AYCKNDKHPKPWEX-OAHLLOKOSA-N 1 1 395.525 3.184 20 5 GGBDMO COc1cccc([C@H](O)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)c1 ZINC000157664287 1424061030 /nfs/dbraw/zinc/06/10/30/1424061030.db2.gz VGPDNOCJADXLNS-OAQYLSRUSA-N 1 1 396.447 3.036 20 5 GGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000157694014 1424066245 /nfs/dbraw/zinc/06/62/45/1424066245.db2.gz SXWBACVEFZEDKI-FPOVZHCZSA-N 1 1 386.448 3.188 20 5 GGBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000157694014 1424066256 /nfs/dbraw/zinc/06/62/56/1424066256.db2.gz SXWBACVEFZEDKI-FPOVZHCZSA-N 1 1 386.448 3.188 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000157762639 1424082121 /nfs/dbraw/zinc/08/21/21/1424082121.db2.gz VHRQEZPMGJFNRY-MRXNPFEDSA-N 1 1 391.516 3.030 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000157966379 1424130626 /nfs/dbraw/zinc/13/06/26/1424130626.db2.gz WDWHZOUZOFIIIE-UHFFFAOYSA-N 1 1 383.355 3.255 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000158006514 1424138611 /nfs/dbraw/zinc/13/86/11/1424138611.db2.gz RLXZDMRYEPEWDI-CABCVRRESA-N 1 1 399.447 3.429 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000158006514 1424138618 /nfs/dbraw/zinc/13/86/18/1424138618.db2.gz RLXZDMRYEPEWDI-CABCVRRESA-N 1 1 399.447 3.429 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000158006359 1424138721 /nfs/dbraw/zinc/13/87/21/1424138721.db2.gz RLXZDMRYEPEWDI-GJZGRUSLSA-N 1 1 399.447 3.429 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000158006359 1424138725 /nfs/dbraw/zinc/13/87/25/1424138725.db2.gz RLXZDMRYEPEWDI-GJZGRUSLSA-N 1 1 399.447 3.429 20 5 GGBDMO COc1ccccc1[C@@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000158012893 1424139258 /nfs/dbraw/zinc/13/92/58/1424139258.db2.gz VFNBZRRGFOZKHD-OAHLLOKOSA-N 1 1 397.431 3.391 20 5 GGBDMO COc1ccccc1[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000158049205 1424148552 /nfs/dbraw/zinc/14/85/52/1424148552.db2.gz KFFFHTICELWCOY-DNVCBOLYSA-N 1 1 381.432 3.198 20 5 GGBDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000158399113 1424245201 /nfs/dbraw/zinc/24/52/01/1424245201.db2.gz MWKSAIFPHLNUPZ-LJQANCHMSA-N 1 1 399.487 3.181 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158686118 1424319294 /nfs/dbraw/zinc/31/92/94/1424319294.db2.gz QVHBYGLRRFGPDO-JOCHJYFZSA-N 1 1 395.459 3.406 20 5 GGBDMO Cc1cc[nH+]c(N2CCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000158747942 1424333535 /nfs/dbraw/zinc/33/35/35/1424333535.db2.gz JYJWEYGIBXMQEJ-OAHLLOKOSA-N 1 1 386.477 3.128 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000158800873 1424345179 /nfs/dbraw/zinc/34/51/79/1424345179.db2.gz ISOYHLXSHYWQPP-UHFFFAOYSA-N 1 1 380.448 3.387 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000159653068 1424521060 /nfs/dbraw/zinc/52/10/60/1424521060.db2.gz UYMUUPSOYKYZCU-JOCHJYFZSA-N 1 1 395.459 3.406 20 5 GGBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000160077962 1424572160 /nfs/dbraw/zinc/57/21/60/1424572160.db2.gz BLFFOXQPFACULP-UHFFFAOYSA-N 1 1 391.512 3.323 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000160275278 1424591892 /nfs/dbraw/zinc/59/18/92/1424591892.db2.gz VLANNFANOUGMTL-CALCHBBNSA-N 1 1 376.501 3.195 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000160522607 1424610265 /nfs/dbraw/zinc/61/02/65/1424610265.db2.gz JHSOWHCIGCKWLK-UHFFFAOYSA-N 1 1 397.475 3.189 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000160532413 1424611014 /nfs/dbraw/zinc/61/10/14/1424611014.db2.gz WXZJIBLEDHEAMP-FZKQIMNGSA-N 1 1 386.395 3.332 20 5 GGBDMO CCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000161086912 1424657309 /nfs/dbraw/zinc/65/73/09/1424657309.db2.gz FFNBJOJTRWBSEG-MRXNPFEDSA-N 1 1 378.450 3.254 20 5 GGBDMO CCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000161086912 1424657317 /nfs/dbraw/zinc/65/73/17/1424657317.db2.gz FFNBJOJTRWBSEG-MRXNPFEDSA-N 1 1 378.450 3.254 20 5 GGBDMO Cc1c(CC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000161139829 1424661624 /nfs/dbraw/zinc/66/16/24/1424661624.db2.gz KTMMAGSCTATIAC-UHFFFAOYSA-N 1 1 381.476 3.399 20 5 GGBDMO Cc1ccc([C@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000161237056 1424668671 /nfs/dbraw/zinc/66/86/71/1424668671.db2.gz NOKRBHLSZSGNIU-INIZCTEOSA-N 1 1 384.480 3.045 20 5 GGBDMO Cc1c([C@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000161247720 1424669451 /nfs/dbraw/zinc/66/94/51/1424669451.db2.gz OUQJTDYQDNZVTK-INIZCTEOSA-N 1 1 384.480 3.045 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000161633035 1424730267 /nfs/dbraw/zinc/73/02/67/1424730267.db2.gz BEBOWMKPSKDUPM-INIZCTEOSA-N 1 1 398.463 3.009 20 5 GGBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000161727035 1424752033 /nfs/dbraw/zinc/75/20/33/1424752033.db2.gz KHAKZGFJRWECBO-DYVFJYSZSA-N 1 1 393.509 3.078 20 5 GGBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000161727035 1424752047 /nfs/dbraw/zinc/75/20/47/1424752047.db2.gz KHAKZGFJRWECBO-DYVFJYSZSA-N 1 1 393.509 3.078 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000161882240 1424786589 /nfs/dbraw/zinc/78/65/89/1424786589.db2.gz VWEFQFWRMRFMJM-AWEZNQCLSA-N 1 1 388.493 3.426 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000161941104 1424801028 /nfs/dbraw/zinc/80/10/28/1424801028.db2.gz GYBZSAGNQVZXSJ-CQSZACIVSA-N 1 1 388.424 3.200 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000161941104 1424801029 /nfs/dbraw/zinc/80/10/29/1424801029.db2.gz GYBZSAGNQVZXSJ-CQSZACIVSA-N 1 1 388.424 3.200 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000162006128 1424807662 /nfs/dbraw/zinc/80/76/62/1424807662.db2.gz GXVUTKHLINXINV-CYBMUJFWSA-N 1 1 397.859 3.242 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000162006128 1424807663 /nfs/dbraw/zinc/80/76/63/1424807663.db2.gz GXVUTKHLINXINV-CYBMUJFWSA-N 1 1 397.859 3.242 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000162094724 1424815661 /nfs/dbraw/zinc/81/56/61/1424815661.db2.gz GQRBJPGOKYNIPR-INIZCTEOSA-N 1 1 391.468 3.287 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000162149772 1424820452 /nfs/dbraw/zinc/82/04/52/1424820452.db2.gz NWSDMHDFQNDMJH-CQSZACIVSA-N 1 1 388.424 3.200 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000162171993 1424822415 /nfs/dbraw/zinc/82/24/15/1424822415.db2.gz DQTNBWZNEVQMBM-JKSUJKDBSA-N 1 1 391.468 3.286 20 5 GGBDMO CC[C@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000163532432 1425012420 /nfs/dbraw/zinc/01/24/20/1425012420.db2.gz PCGIMQZIMZQHBJ-IBGZPJMESA-N 1 1 390.528 3.262 20 5 GGBDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180158824 1429770712 /nfs/dbraw/zinc/77/07/12/1429770712.db2.gz DPGURNCAWMEAKR-CYBMUJFWSA-N 1 1 388.411 3.496 20 5 GGBDMO O=C(C[NH+]1CCC(Nc2ccc(F)cc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000170651051 1425277824 /nfs/dbraw/zinc/27/78/24/1425277824.db2.gz ZCWTXKUSEKGHKD-UHFFFAOYSA-N 1 1 398.438 3.200 20 5 GGBDMO CN(C[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)C(=O)OC(C)(C)C ZINC000170903448 1425386930 /nfs/dbraw/zinc/38/69/30/1425386930.db2.gz SGJYYUROSXUQDA-CQSZACIVSA-N 1 1 389.456 3.091 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)C(=O)OC(C)(C)C ZINC000170903448 1425386935 /nfs/dbraw/zinc/38/69/35/1425386935.db2.gz SGJYYUROSXUQDA-CQSZACIVSA-N 1 1 389.456 3.091 20 5 GGBDMO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)Nc1ccccc1 ZINC000170912437 1425388679 /nfs/dbraw/zinc/38/86/79/1425388679.db2.gz FKVDMOSVZVLKRS-UHFFFAOYSA-N 1 1 380.404 3.363 20 5 GGBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)Nc1ccccc1 ZINC000170912437 1425388691 /nfs/dbraw/zinc/38/86/91/1425388691.db2.gz FKVDMOSVZVLKRS-UHFFFAOYSA-N 1 1 380.404 3.363 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000170919335 1425392130 /nfs/dbraw/zinc/39/21/30/1425392130.db2.gz DZJYIGOCYHFHGE-OAHLLOKOSA-N 1 1 379.457 3.162 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000171129002 1425495644 /nfs/dbraw/zinc/49/56/44/1425495644.db2.gz STAQZYZNTIWOIT-UHFFFAOYSA-N 1 1 398.868 3.210 20 5 GGBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000171754387 1425811883 /nfs/dbraw/zinc/81/18/83/1425811883.db2.gz UODOJKAHKYRLBC-UHFFFAOYSA-N 1 1 389.477 3.054 20 5 GGBDMO O=C1[C@H]([NH+]2CCC(Nc3ccc(F)cc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000171758917 1425813274 /nfs/dbraw/zinc/81/32/74/1425813274.db2.gz LXEQBXRKKVEKGH-HXUWFJFHSA-N 1 1 398.438 3.416 20 5 GGBDMO CCc1nc(C[NH+]2CCC(CNC(=O)c3csc([N+](=O)[O-])c3)CC2)cs1 ZINC000171880633 1425841684 /nfs/dbraw/zinc/84/16/84/1425841684.db2.gz XSQFFXRHYFGUBE-UHFFFAOYSA-N 1 1 394.522 3.317 20 5 GGBDMO CC(C)[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)N1CC[NH+](C)CC1 ZINC000171978782 1425866647 /nfs/dbraw/zinc/86/66/47/1425866647.db2.gz WLAQKRNLSSSPJE-JOCHJYFZSA-N 1 1 390.531 3.390 20 5 GGBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000172050106 1425882387 /nfs/dbraw/zinc/88/23/87/1425882387.db2.gz FDCNSSFBVSLLNZ-GFCCVEGCSA-N 1 1 393.896 3.415 20 5 GGBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000172050106 1425882389 /nfs/dbraw/zinc/88/23/89/1425882389.db2.gz FDCNSSFBVSLLNZ-GFCCVEGCSA-N 1 1 393.896 3.415 20 5 GGBDMO COc1ccc(CN(C)C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000172157084 1425924246 /nfs/dbraw/zinc/92/42/46/1425924246.db2.gz UUKQJYWONHJVCJ-UHFFFAOYSA-N 1 1 385.464 3.472 20 5 GGBDMO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000172157084 1425924268 /nfs/dbraw/zinc/92/42/68/1425924268.db2.gz UUKQJYWONHJVCJ-UHFFFAOYSA-N 1 1 385.464 3.472 20 5 GGBDMO CCOCCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172175567 1425934213 /nfs/dbraw/zinc/93/42/13/1425934213.db2.gz HEYHQNXYBIYWLH-UHFFFAOYSA-N 1 1 383.876 3.003 20 5 GGBDMO C[C@H](c1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000172249970 1425966691 /nfs/dbraw/zinc/96/66/91/1425966691.db2.gz VJVMGMKRYLNSRO-OAHLLOKOSA-N 1 1 384.436 3.310 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1SC ZINC000172421390 1426035900 /nfs/dbraw/zinc/03/59/00/1426035900.db2.gz KXFYNFAZYFKTCZ-UHFFFAOYSA-N 1 1 393.509 3.416 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000172425671 1426039267 /nfs/dbraw/zinc/03/92/67/1426039267.db2.gz UATGUBCKUPGRAJ-HOTGVXAUSA-N 1 1 395.459 3.407 20 5 GGBDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000172672012 1426136897 /nfs/dbraw/zinc/13/68/97/1426136897.db2.gz UONQKCFVLOFQSU-GFCCVEGCSA-N 1 1 397.884 3.349 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000172908956 1426253850 /nfs/dbraw/zinc/25/38/50/1426253850.db2.gz FTTKQZIIIMFZPY-UHFFFAOYSA-N 1 1 386.500 3.255 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172909658 1426254711 /nfs/dbraw/zinc/25/47/11/1426254711.db2.gz UVQNLDWLKZEJQF-QZTJIDSGSA-N 1 1 398.511 3.397 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@@H](COCc4ccccc4)C3)n2)cc1 ZINC000172971307 1426288562 /nfs/dbraw/zinc/28/85/62/1426288562.db2.gz VECPUFZQSJLSLD-GOSISDBHSA-N 1 1 393.447 3.350 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC000173029782 1426315997 /nfs/dbraw/zinc/31/59/97/1426315997.db2.gz TXBOPUYEPAJXIU-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC000173029782 1426316001 /nfs/dbraw/zinc/31/60/01/1426316001.db2.gz TXBOPUYEPAJXIU-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000173152814 1426367446 /nfs/dbraw/zinc/36/74/46/1426367446.db2.gz KGHYCOAQFOLUEW-UHFFFAOYSA-N 1 1 389.402 3.196 20 5 GGBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1([NH+]2CCOCC2)CCCC1 ZINC000173178708 1426379628 /nfs/dbraw/zinc/37/96/28/1426379628.db2.gz NTSPNIACPNCSIW-ZDUSSCGKSA-N 1 1 381.860 3.012 20 5 GGBDMO CCc1ccc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000173333897 1426515332 /nfs/dbraw/zinc/51/53/32/1426515332.db2.gz FDQFXDZJLVHOAU-UHFFFAOYSA-N 1 1 383.448 3.284 20 5 GGBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000173348512 1426527011 /nfs/dbraw/zinc/52/70/11/1426527011.db2.gz NSVFDUYCQDSNHP-RTWAWAEBSA-N 1 1 398.438 3.403 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000173387708 1426564852 /nfs/dbraw/zinc/56/48/52/1426564852.db2.gz FIRNBDRQMRPYEA-FQEVSTJZSA-N 1 1 383.448 3.214 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000173388765 1426566587 /nfs/dbraw/zinc/56/65/87/1426566587.db2.gz CRCOKNBTVNVVFI-FQEVSTJZSA-N 1 1 383.448 3.214 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000173431644 1426613470 /nfs/dbraw/zinc/61/34/70/1426613470.db2.gz IGYHWESQLJNFKJ-YJBOKZPZSA-N 1 1 377.485 3.024 20 5 GGBDMO Cc1ccc2c(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc(=O)oc2c1C ZINC000173462317 1426636037 /nfs/dbraw/zinc/63/60/37/1426636037.db2.gz GJZYLFSEXAPEPK-INIZCTEOSA-N 1 1 394.431 3.399 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)nc1 ZINC000173469631 1426644037 /nfs/dbraw/zinc/64/40/37/1426644037.db2.gz OPSVBSRGHBIKPW-BLLLJJGKSA-N 1 1 396.369 3.228 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)nc1 ZINC000173469631 1426644046 /nfs/dbraw/zinc/64/40/46/1426644046.db2.gz OPSVBSRGHBIKPW-BLLLJJGKSA-N 1 1 396.369 3.228 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)c3ccccc3C(F)(F)F)C2)nc1 ZINC000173469646 1426644065 /nfs/dbraw/zinc/64/40/65/1426644065.db2.gz OPSVBSRGHBIKPW-LRDDRELGSA-N 1 1 396.369 3.228 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H](O)c3ccccc3C(F)(F)F)C2)nc1 ZINC000173469646 1426644078 /nfs/dbraw/zinc/64/40/78/1426644078.db2.gz OPSVBSRGHBIKPW-LRDDRELGSA-N 1 1 396.369 3.228 20 5 GGBDMO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173469119 1426644205 /nfs/dbraw/zinc/64/42/05/1426644205.db2.gz LHFXHUVYEAAYIN-BBWFWOEESA-N 1 1 397.479 3.050 20 5 GGBDMO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173469119 1426644221 /nfs/dbraw/zinc/64/42/21/1426644221.db2.gz LHFXHUVYEAAYIN-BBWFWOEESA-N 1 1 397.479 3.050 20 5 GGBDMO COC(=O)c1cc2cc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2o1 ZINC000173473117 1426647191 /nfs/dbraw/zinc/64/71/91/1426647191.db2.gz ROLXDYJSTDCIDL-OAHLLOKOSA-N 1 1 396.403 3.209 20 5 GGBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173507720 1426676403 /nfs/dbraw/zinc/67/64/03/1426676403.db2.gz WNWMUMIBHIGYNQ-OAHLLOKOSA-N 1 1 385.468 3.007 20 5 GGBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173507720 1426676416 /nfs/dbraw/zinc/67/64/16/1426676416.db2.gz WNWMUMIBHIGYNQ-OAHLLOKOSA-N 1 1 385.468 3.007 20 5 GGBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173507720 1426676428 /nfs/dbraw/zinc/67/64/28/1426676428.db2.gz WNWMUMIBHIGYNQ-OAHLLOKOSA-N 1 1 385.468 3.007 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173516267 1426689128 /nfs/dbraw/zinc/68/91/28/1426689128.db2.gz HKTLQWVZTNPFHH-GOSISDBHSA-N 1 1 379.464 3.356 20 5 GGBDMO COc1ccc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000173519449 1426693463 /nfs/dbraw/zinc/69/34/63/1426693463.db2.gz PQWSQMOSFNXAHC-MRXNPFEDSA-N 1 1 383.448 3.340 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000173521434 1426694424 /nfs/dbraw/zinc/69/44/24/1426694424.db2.gz XLRAMNCZEHBGLE-MRXNPFEDSA-N 1 1 383.448 3.340 20 5 GGBDMO C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000173528899 1426702829 /nfs/dbraw/zinc/70/28/29/1426702829.db2.gz WDQSRVLIBGLQGX-KRWDZBQOSA-N 1 1 383.448 3.097 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173544545 1426718307 /nfs/dbraw/zinc/71/83/07/1426718307.db2.gz BVSKCFHOJGEXLY-UHFFFAOYSA-N 1 1 384.480 3.188 20 5 GGBDMO O=[N+]([O-])c1ccnn1CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000173553497 1426726084 /nfs/dbraw/zinc/72/60/84/1426726084.db2.gz FBSLUKQIVMFCHC-MRXNPFEDSA-N 1 1 397.401 3.135 20 5 GGBDMO C[N@H+](CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000173644486 1426808338 /nfs/dbraw/zinc/80/83/38/1426808338.db2.gz HAYFFPSNHNCBEY-UHFFFAOYSA-N 1 1 383.448 3.097 20 5 GGBDMO C[N@@H+](CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000173644486 1426808341 /nfs/dbraw/zinc/80/83/41/1426808341.db2.gz HAYFFPSNHNCBEY-UHFFFAOYSA-N 1 1 383.448 3.097 20 5 GGBDMO CN(C(=O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173652278 1426810802 /nfs/dbraw/zinc/81/08/02/1426810802.db2.gz ITLDFYYSKOROAF-GOSISDBHSA-N 1 1 383.448 3.096 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccccc2Cl)C2CCCC2)c1 ZINC000173664699 1426814001 /nfs/dbraw/zinc/81/40/01/1426814001.db2.gz QBFUOBXATCRVIC-KRWDZBQOSA-N 1 1 378.860 3.250 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)oc1C ZINC000173681268 1426819719 /nfs/dbraw/zinc/81/97/19/1426819719.db2.gz YEXOUUDDOKRHGP-UHFFFAOYSA-N 1 1 386.452 3.150 20 5 GGBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173693143 1426822872 /nfs/dbraw/zinc/82/28/72/1426822872.db2.gz AGJVHNCOGRLGKG-OAHLLOKOSA-N 1 1 383.448 3.056 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000173695351 1426823436 /nfs/dbraw/zinc/82/34/36/1426823436.db2.gz CTGHXOFIRXDGCA-CQSZACIVSA-N 1 1 387.436 3.114 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000173695351 1426823438 /nfs/dbraw/zinc/82/34/38/1426823438.db2.gz CTGHXOFIRXDGCA-CQSZACIVSA-N 1 1 387.436 3.114 20 5 GGBDMO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000173694359 1426823606 /nfs/dbraw/zinc/82/36/06/1426823606.db2.gz FXILCVVVZXLVAC-CQSZACIVSA-N 1 1 387.436 3.114 20 5 GGBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000173694359 1426823608 /nfs/dbraw/zinc/82/36/08/1426823608.db2.gz FXILCVVVZXLVAC-CQSZACIVSA-N 1 1 387.436 3.114 20 5 GGBDMO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173705790 1426827345 /nfs/dbraw/zinc/82/73/45/1426827345.db2.gz YTTCYSAQMJHUDL-KRWDZBQOSA-N 1 1 393.447 3.208 20 5 GGBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173705790 1426827348 /nfs/dbraw/zinc/82/73/48/1426827348.db2.gz YTTCYSAQMJHUDL-KRWDZBQOSA-N 1 1 393.447 3.208 20 5 GGBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173705790 1426827352 /nfs/dbraw/zinc/82/73/52/1426827352.db2.gz YTTCYSAQMJHUDL-KRWDZBQOSA-N 1 1 393.447 3.208 20 5 GGBDMO Cc1ccc(CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000173780578 1426849485 /nfs/dbraw/zinc/84/94/85/1426849485.db2.gz GMMSBUOBVKVYEP-FQEVSTJZSA-N 1 1 397.475 3.226 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000173799164 1426854305 /nfs/dbraw/zinc/85/43/05/1426854305.db2.gz FVVKEXNUNLQDDY-HNNXBMFYSA-N 1 1 399.447 3.474 20 5 GGBDMO O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173799689 1426854360 /nfs/dbraw/zinc/85/43/60/1426854360.db2.gz QSZUFZYWIAHURK-OAQYLSRUSA-N 1 1 395.459 3.458 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000173811906 1426858163 /nfs/dbraw/zinc/85/81/63/1426858163.db2.gz CYAVZACGDCJIQD-KRWDZBQOSA-N 1 1 388.512 3.389 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173978189 1426922745 /nfs/dbraw/zinc/92/27/45/1426922745.db2.gz QGLHBYGYHMYMBM-IBGZPJMESA-N 1 1 396.491 3.296 20 5 GGBDMO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174204505 1427048942 /nfs/dbraw/zinc/04/89/42/1427048942.db2.gz WEMQLJKMFUAQQB-KRWDZBQOSA-N 1 1 375.472 3.182 20 5 GGBDMO Cc1ccc(CNC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174243968 1427066987 /nfs/dbraw/zinc/06/69/87/1427066987.db2.gz DJKICQKKYKJABV-UHFFFAOYSA-N 1 1 383.448 3.063 20 5 GGBDMO C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247051 1427068462 /nfs/dbraw/zinc/06/84/62/1427068462.db2.gz FQXYDWBNKJNPDA-CQSZACIVSA-N 1 1 389.477 3.204 20 5 GGBDMO O=C1[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1c1ccccc1 ZINC000174247648 1427069055 /nfs/dbraw/zinc/06/90/55/1427069055.db2.gz IALVGXLZFPJIHC-FQEVSTJZSA-N 1 1 381.432 3.244 20 5 GGBDMO Cc1ccccc1CNC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247954 1427069099 /nfs/dbraw/zinc/06/90/99/1427069099.db2.gz YHTZCPOETYGTFX-UHFFFAOYSA-N 1 1 383.448 3.063 20 5 GGBDMO CN(C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000174249189 1427069639 /nfs/dbraw/zinc/06/96/39/1427069639.db2.gz XWXNJNPXNOJDSI-UHFFFAOYSA-N 1 1 375.469 3.229 20 5 GGBDMO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174249359 1427069789 /nfs/dbraw/zinc/06/97/89/1427069789.db2.gz CZWRKPRWIIVOQE-KXBFYZLASA-N 1 1 375.469 3.133 20 5 GGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000174507425 1427191227 /nfs/dbraw/zinc/19/12/27/1427191227.db2.gz VEMYUMCGKABYTK-KRWDZBQOSA-N 1 1 388.512 3.245 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000174600705 1427252152 /nfs/dbraw/zinc/25/21/52/1427252152.db2.gz SAWDCDYDSQQOGE-MRXNPFEDSA-N 1 1 384.436 3.028 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174679988 1427305912 /nfs/dbraw/zinc/30/59/12/1427305912.db2.gz XYXBNMHRAMSMIN-LJQANCHMSA-N 1 1 382.464 3.443 20 5 GGBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CO)C1 ZINC000174700353 1427317716 /nfs/dbraw/zinc/31/77/16/1427317716.db2.gz KXXITNXXKRWTFC-SCLBCKFNSA-N 1 1 389.839 3.242 20 5 GGBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[N@H+]1CC[C@H](CO)C1 ZINC000174700353 1427317723 /nfs/dbraw/zinc/31/77/23/1427317723.db2.gz KXXITNXXKRWTFC-SCLBCKFNSA-N 1 1 389.839 3.242 20 5 GGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)cc1 ZINC000174802261 1427376892 /nfs/dbraw/zinc/37/68/92/1427376892.db2.gz MLCMOALEZPKTFP-SFHVURJKSA-N 1 1 378.375 3.450 20 5 GGBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)COc1cccc2ccccc21 ZINC000174842657 1427400708 /nfs/dbraw/zinc/40/07/08/1427400708.db2.gz YWIXUDCOHHSXCA-LJQANCHMSA-N 1 1 398.463 3.095 20 5 GGBDMO O=C(C[N@H+](CCCO)[C@@H]1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000174908446 1427441204 /nfs/dbraw/zinc/44/12/04/1427441204.db2.gz OVIZVWYMTVURGJ-LJQANCHMSA-N 1 1 383.448 3.295 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174931756 1427451612 /nfs/dbraw/zinc/45/16/12/1427451612.db2.gz UHEXRSCMMBMXRK-KRWDZBQOSA-N 1 1 383.448 3.198 20 5 GGBDMO COc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000174934883 1427453558 /nfs/dbraw/zinc/45/35/58/1427453558.db2.gz ZWRJTKIKSCMBKH-KRWDZBQOSA-N 1 1 383.448 3.198 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000174946781 1427460694 /nfs/dbraw/zinc/46/06/94/1427460694.db2.gz ZASDUTBPGIOJKJ-INIZCTEOSA-N 1 1 398.419 3.097 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000174946800 1427460890 /nfs/dbraw/zinc/46/08/90/1427460890.db2.gz ZASDUTBPGIOJKJ-MRXNPFEDSA-N 1 1 398.419 3.097 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000174955852 1427466104 /nfs/dbraw/zinc/46/61/04/1427466104.db2.gz ONRADJXWIKWTKL-ZDUSSCGKSA-N 1 1 387.427 3.369 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000174960884 1427467378 /nfs/dbraw/zinc/46/73/78/1427467378.db2.gz PYJOVZKPCRUGLY-IBGZPJMESA-N 1 1 397.475 3.344 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174959656 1427467649 /nfs/dbraw/zinc/46/76/49/1427467649.db2.gz BGQREEYJVIMHNZ-INIZCTEOSA-N 1 1 393.447 3.065 20 5 GGBDMO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000174959656 1427467656 /nfs/dbraw/zinc/46/76/56/1427467656.db2.gz BGQREEYJVIMHNZ-INIZCTEOSA-N 1 1 393.447 3.065 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000174959656 1427467660 /nfs/dbraw/zinc/46/76/60/1427467660.db2.gz BGQREEYJVIMHNZ-INIZCTEOSA-N 1 1 393.447 3.065 20 5 GGBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000174989960 1427482418 /nfs/dbraw/zinc/48/24/18/1427482418.db2.gz HKWNZOWFIIWNBX-UHFFFAOYSA-N 1 1 381.860 3.013 20 5 GGBDMO COc1ccc(NC(=O)C[NH2+]C2(c3nccs3)CCCC2)c([N+](=O)[O-])c1 ZINC000175010174 1427494905 /nfs/dbraw/zinc/49/49/05/1427494905.db2.gz ZKAWOLLSQLKBME-UHFFFAOYSA-N 1 1 376.438 3.058 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000175074127 1427532295 /nfs/dbraw/zinc/53/22/95/1427532295.db2.gz ANJOUXPPSKGRIK-SFHVURJKSA-N 1 1 383.448 3.441 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000175074127 1427532300 /nfs/dbraw/zinc/53/23/00/1427532300.db2.gz ANJOUXPPSKGRIK-SFHVURJKSA-N 1 1 383.448 3.441 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000175099693 1427545866 /nfs/dbraw/zinc/54/58/66/1427545866.db2.gz UBMRRLGQXVHAJI-MRXNPFEDSA-N 1 1 389.496 3.464 20 5 GGBDMO C[C@H](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000175160747 1427574520 /nfs/dbraw/zinc/57/45/20/1427574520.db2.gz LLKFGWWWKDRWPC-OAHLLOKOSA-N 1 1 391.493 3.321 20 5 GGBDMO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175246012 1427624210 /nfs/dbraw/zinc/62/42/10/1427624210.db2.gz BIJHYDRCQIQVTM-HNNXBMFYSA-N 1 1 378.436 3.151 20 5 GGBDMO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175246012 1427624215 /nfs/dbraw/zinc/62/42/15/1427624215.db2.gz BIJHYDRCQIQVTM-HNNXBMFYSA-N 1 1 378.436 3.151 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000175306274 1427665247 /nfs/dbraw/zinc/66/52/47/1427665247.db2.gz WNCGBDBOCLTLAN-UHFFFAOYSA-N 1 1 383.355 3.303 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000175354204 1427701282 /nfs/dbraw/zinc/70/12/82/1427701282.db2.gz KPHFTWGHBLIURW-QFBILLFUSA-N 1 1 382.464 3.447 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000175438659 1427755183 /nfs/dbraw/zinc/75/51/83/1427755183.db2.gz ZHUJRXZRMLJZHY-XLIONFOSSA-N 1 1 396.491 3.490 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000175456707 1427765137 /nfs/dbraw/zinc/76/51/37/1427765137.db2.gz WELHPSFXMHGVGF-VQIMIIECSA-N 1 1 382.464 3.447 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000175459748 1427766848 /nfs/dbraw/zinc/76/68/48/1427766848.db2.gz HJXMIWCPUWMKSM-IERDGZPVSA-N 1 1 397.475 3.278 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000175669310 1427851282 /nfs/dbraw/zinc/85/12/82/1427851282.db2.gz CJYZVFBKDQKGHQ-OWCLPIDISA-N 1 1 392.500 3.151 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000175669310 1427851285 /nfs/dbraw/zinc/85/12/85/1427851285.db2.gz CJYZVFBKDQKGHQ-OWCLPIDISA-N 1 1 392.500 3.151 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000175695205 1427861216 /nfs/dbraw/zinc/86/12/16/1427861216.db2.gz QBTAOFCCBWSHKW-AEFFLSMTSA-N 1 1 392.500 3.010 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000175695189 1427861280 /nfs/dbraw/zinc/86/12/80/1427861280.db2.gz QBTAOFCCBWSHKW-FUHWJXTLSA-N 1 1 392.500 3.010 20 5 GGBDMO Cc1ccc(N2CCC(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000175737004 1427874258 /nfs/dbraw/zinc/87/42/58/1427874258.db2.gz FZUATDROBMUBSC-OAHLLOKOSA-N 1 1 383.452 3.327 20 5 GGBDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175742079 1427876099 /nfs/dbraw/zinc/87/60/99/1427876099.db2.gz HRORYQCSHRNJMQ-UHFFFAOYSA-N 1 1 389.839 3.375 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000175774700 1427888539 /nfs/dbraw/zinc/88/85/39/1427888539.db2.gz FNNPELBVTXXLQS-INIZCTEOSA-N 1 1 382.464 3.322 20 5 GGBDMO Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000175785658 1427892025 /nfs/dbraw/zinc/89/20/25/1427892025.db2.gz NFSNIWASJJXXIJ-QGZVFWFLSA-N 1 1 382.464 3.080 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175815096 1427907238 /nfs/dbraw/zinc/90/72/38/1427907238.db2.gz YJOQCVVLJBQDLD-YOEHRIQHSA-N 1 1 389.477 3.491 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175815096 1427907247 /nfs/dbraw/zinc/90/72/47/1427907247.db2.gz YJOQCVVLJBQDLD-YOEHRIQHSA-N 1 1 389.477 3.491 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175844010 1427925866 /nfs/dbraw/zinc/92/58/66/1427925866.db2.gz NBNQSXCPISILAS-PBHICJAKSA-N 1 1 389.477 3.491 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175844010 1427925878 /nfs/dbraw/zinc/92/58/78/1427925878.db2.gz NBNQSXCPISILAS-PBHICJAKSA-N 1 1 389.477 3.491 20 5 GGBDMO O=c1[nH]c2ccccc2n1CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175877764 1427947490 /nfs/dbraw/zinc/94/74/90/1427947490.db2.gz GBIPSGMPEQMMFK-UHFFFAOYSA-N 1 1 395.444 3.151 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000175904087 1427961859 /nfs/dbraw/zinc/96/18/59/1427961859.db2.gz JVSJZCQYILLBPH-AWEZNQCLSA-N 1 1 398.467 3.031 20 5 GGBDMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176207100 1428167815 /nfs/dbraw/zinc/16/78/15/1428167815.db2.gz RDDKATVYOXMFQK-AWEZNQCLSA-N 1 1 398.250 3.201 20 5 GGBDMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176207100 1428167823 /nfs/dbraw/zinc/16/78/23/1428167823.db2.gz RDDKATVYOXMFQK-AWEZNQCLSA-N 1 1 398.250 3.201 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180273838 1429821291 /nfs/dbraw/zinc/82/12/91/1429821291.db2.gz VWCJFNYZLGAOTJ-AWEZNQCLSA-N 1 1 388.411 3.494 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180273838 1429821293 /nfs/dbraw/zinc/82/12/93/1429821293.db2.gz VWCJFNYZLGAOTJ-AWEZNQCLSA-N 1 1 388.411 3.494 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)nc1 ZINC000180344209 1429841039 /nfs/dbraw/zinc/84/10/39/1429841039.db2.gz AWADKZOERDVUJS-ZDUSSCGKSA-N 1 1 384.465 3.263 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)nc1 ZINC000180344209 1429841043 /nfs/dbraw/zinc/84/10/43/1429841043.db2.gz AWADKZOERDVUJS-ZDUSSCGKSA-N 1 1 384.465 3.263 20 5 GGBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc3ccccc3c3cccnc23)[C@@H](C)C1 ZINC000180383517 1429852474 /nfs/dbraw/zinc/85/24/74/1429852474.db2.gz HRHXWFFUKSKSBN-INIZCTEOSA-N 1 1 391.471 3.097 20 5 GGBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc3ccccc3c3cccnc23)[C@@H](C)C1 ZINC000180383517 1429852476 /nfs/dbraw/zinc/85/24/76/1429852476.db2.gz HRHXWFFUKSKSBN-INIZCTEOSA-N 1 1 391.471 3.097 20 5 GGBDMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180394291 1429855766 /nfs/dbraw/zinc/85/57/66/1429855766.db2.gz BBESMKLNTVHWDQ-JKSUJKDBSA-N 1 1 398.463 3.006 20 5 GGBDMO C[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180394775 1429855866 /nfs/dbraw/zinc/85/58/66/1429855866.db2.gz CUQJQUSHFXUBRE-KRWDZBQOSA-N 1 1 396.491 3.158 20 5 GGBDMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180394331 1429855920 /nfs/dbraw/zinc/85/59/20/1429855920.db2.gz BBESMKLNTVHWDQ-HZPDHXFCSA-N 1 1 398.463 3.006 20 5 GGBDMO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180408256 1429860089 /nfs/dbraw/zinc/86/00/89/1429860089.db2.gz XISYSCHLSCIVRP-LLVKDONJSA-N 1 1 391.449 3.349 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484460 1429880289 /nfs/dbraw/zinc/88/02/89/1429880289.db2.gz JBRVBFZEHYZALX-UHFFFAOYSA-N 1 1 397.353 3.481 20 5 GGBDMO CC[NH+](CC)CCCC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000180760153 1430023217 /nfs/dbraw/zinc/02/32/17/1430023217.db2.gz WZMNKYSUHBFINP-UHFFFAOYSA-N 1 1 387.484 3.445 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)cs2)c1 ZINC000180797778 1430046662 /nfs/dbraw/zinc/04/66/62/1430046662.db2.gz QSFSHJGNHSJXRB-AWEZNQCLSA-N 1 1 384.465 3.222 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)cs2)c1 ZINC000180797778 1430046672 /nfs/dbraw/zinc/04/66/72/1430046672.db2.gz QSFSHJGNHSJXRB-AWEZNQCLSA-N 1 1 384.465 3.222 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180833531 1430062404 /nfs/dbraw/zinc/06/24/04/1430062404.db2.gz KOBRLUCISQYMSY-QGZVFWFLSA-N 1 1 382.464 3.161 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180850619 1430069489 /nfs/dbraw/zinc/06/94/89/1430069489.db2.gz FWJSPOOFNWWFMJ-WBVHZDCISA-N 1 1 386.448 3.385 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180933267 1430121999 /nfs/dbraw/zinc/12/19/99/1430121999.db2.gz SAJSITUVZVLSEN-OAHLLOKOSA-N 1 1 382.464 3.481 20 5 GGBDMO C[C@@H](CCO)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000180973752 1430145648 /nfs/dbraw/zinc/14/56/48/1430145648.db2.gz AIFBYMRIDHSARI-HNNXBMFYSA-N 1 1 382.420 3.418 20 5 GGBDMO C[C@@H](CCO)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000180973752 1430145652 /nfs/dbraw/zinc/14/56/52/1430145652.db2.gz AIFBYMRIDHSARI-HNNXBMFYSA-N 1 1 382.420 3.418 20 5 GGBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000181092027 1430207122 /nfs/dbraw/zinc/20/71/22/1430207122.db2.gz BVBLCRWZSWGFKT-WFASDCNBSA-N 1 1 388.411 3.230 20 5 GGBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000181092050 1430207156 /nfs/dbraw/zinc/20/71/56/1430207156.db2.gz BVBLCRWZSWGFKT-DOMZBBRYSA-N 1 1 388.411 3.230 20 5 GGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000181109281 1430213906 /nfs/dbraw/zinc/21/39/06/1430213906.db2.gz HDRXYNLRELOYQI-NVXWUHKLSA-N 1 1 382.464 3.302 20 5 GGBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1OC(F)F ZINC000181145274 1430225796 /nfs/dbraw/zinc/22/57/96/1430225796.db2.gz UKDBPMKGQORNQU-MRXNPFEDSA-N 1 1 393.390 3.375 20 5 GGBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1OC(F)F ZINC000181145256 1430225829 /nfs/dbraw/zinc/22/58/29/1430225829.db2.gz UKDBPMKGQORNQU-INIZCTEOSA-N 1 1 393.390 3.375 20 5 GGBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000181442663 1430300190 /nfs/dbraw/zinc/30/01/90/1430300190.db2.gz PMUZLTDTNIVTKJ-HNNXBMFYSA-N 1 1 399.781 3.442 20 5 GGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181533738 1430316708 /nfs/dbraw/zinc/31/67/08/1430316708.db2.gz FRTVRHOKTWHMKZ-UHFFFAOYSA-N 1 1 397.522 3.382 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000181560041 1430320387 /nfs/dbraw/zinc/32/03/87/1430320387.db2.gz MEZHKLQOYINHDS-SFHVURJKSA-N 1 1 383.448 3.175 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000181560041 1430320390 /nfs/dbraw/zinc/32/03/90/1430320390.db2.gz MEZHKLQOYINHDS-SFHVURJKSA-N 1 1 383.448 3.175 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000181591993 1430324698 /nfs/dbraw/zinc/32/46/98/1430324698.db2.gz WHEXXINYXAWOGP-ZBEGNZNMSA-N 1 1 390.465 3.436 20 5 GGBDMO C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181670908 1430339013 /nfs/dbraw/zinc/33/90/13/1430339013.db2.gz MLTZHFALBYQXAU-JKSUJKDBSA-N 1 1 397.479 3.163 20 5 GGBDMO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2ccccc2o1 ZINC000181770145 1430356119 /nfs/dbraw/zinc/35/61/19/1430356119.db2.gz NSTYJWFVOLDFED-NSHDSACASA-N 1 1 383.360 3.359 20 5 GGBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181897839 1430379802 /nfs/dbraw/zinc/37/98/02/1430379802.db2.gz ZNNZSUUBCIEURQ-GOEBONIOSA-N 1 1 392.452 3.386 20 5 GGBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181897839 1430379805 /nfs/dbraw/zinc/37/98/05/1430379805.db2.gz ZNNZSUUBCIEURQ-GOEBONIOSA-N 1 1 392.452 3.386 20 5 GGBDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181897798 1430379994 /nfs/dbraw/zinc/37/99/94/1430379994.db2.gz ZNNZSUUBCIEURQ-HOCLYGCPSA-N 1 1 392.452 3.386 20 5 GGBDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181897798 1430379998 /nfs/dbraw/zinc/37/99/98/1430379998.db2.gz ZNNZSUUBCIEURQ-HOCLYGCPSA-N 1 1 392.452 3.386 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181902773 1430380740 /nfs/dbraw/zinc/38/07/40/1430380740.db2.gz WQQIBRYLEBPOQU-GJZGRUSLSA-N 1 1 389.452 3.050 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181902754 1430380841 /nfs/dbraw/zinc/38/08/41/1430380841.db2.gz WQQIBRYLEBPOQU-CABCVRRESA-N 1 1 389.452 3.050 20 5 GGBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000181917096 1430382878 /nfs/dbraw/zinc/38/28/78/1430382878.db2.gz WDIJZRQIJZIKPH-OALUTQOASA-N 1 1 385.464 3.238 20 5 GGBDMO Cn1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181921121 1430383637 /nfs/dbraw/zinc/38/36/37/1430383637.db2.gz UUSAECHFWDBCGM-NRFANRHFSA-N 1 1 392.459 3.439 20 5 GGBDMO Cn1cc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181921121 1430383641 /nfs/dbraw/zinc/38/36/41/1430383641.db2.gz UUSAECHFWDBCGM-NRFANRHFSA-N 1 1 392.459 3.439 20 5 GGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182103549 1430412591 /nfs/dbraw/zinc/41/25/91/1430412591.db2.gz ZURFNSNNELZXCZ-IYBDPMFKSA-N 1 1 380.920 3.239 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000182178825 1430425039 /nfs/dbraw/zinc/42/50/39/1430425039.db2.gz MWHXDWKPTOTUMX-CVEARBPZSA-N 1 1 392.477 3.077 20 5 GGBDMO COc1ccc(Cl)cc1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190210 1430427135 /nfs/dbraw/zinc/42/71/35/1430427135.db2.gz JEKPWECQRGVVLW-OAHLLOKOSA-N 1 1 380.828 3.129 20 5 GGBDMO C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182203172 1430429434 /nfs/dbraw/zinc/42/94/34/1430429434.db2.gz JTUQVJWJEHZEJP-CQSZACIVSA-N 1 1 384.354 3.485 20 5 GGBDMO C[N@H+](Cc1ccccc1C(F)(F)F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182203151 1430429603 /nfs/dbraw/zinc/42/96/03/1430429603.db2.gz JTUQVJWJEHZEJP-AWEZNQCLSA-N 1 1 384.354 3.485 20 5 GGBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000182205957 1430429832 /nfs/dbraw/zinc/42/98/32/1430429832.db2.gz VGMINFQVEUJBMY-BBRMVZONSA-N 1 1 391.493 3.363 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000182215570 1430431103 /nfs/dbraw/zinc/43/11/03/1430431103.db2.gz UHJHLZVJWZPPSK-MRXNPFEDSA-N 1 1 378.375 3.277 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000182215570 1430431105 /nfs/dbraw/zinc/43/11/05/1430431105.db2.gz UHJHLZVJWZPPSK-MRXNPFEDSA-N 1 1 378.375 3.277 20 5 GGBDMO CC[N@@H+]1CCc2nc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000182233096 1430434316 /nfs/dbraw/zinc/43/43/16/1430434316.db2.gz UCDAVYQRPBQNMZ-SNVBAGLBSA-N 1 1 378.429 3.311 20 5 GGBDMO CC[N@H+]1CCc2nc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000182233096 1430434317 /nfs/dbraw/zinc/43/43/17/1430434317.db2.gz UCDAVYQRPBQNMZ-SNVBAGLBSA-N 1 1 378.429 3.311 20 5 GGBDMO COc1ccc([C@H](CCO)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000182405434 1430461611 /nfs/dbraw/zinc/46/16/11/1430461611.db2.gz KCQVMBKAIICHEI-IBGZPJMESA-N 1 1 383.404 3.472 20 5 GGBDMO COc1ccc([C@@H](CCO)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000182405415 1430461625 /nfs/dbraw/zinc/46/16/25/1430461625.db2.gz KCQVMBKAIICHEI-LJQANCHMSA-N 1 1 383.404 3.472 20 5 GGBDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182463210 1430471951 /nfs/dbraw/zinc/47/19/51/1430471951.db2.gz WMXYNZFYQJYNKX-BXUZGUMPSA-N 1 1 376.413 3.276 20 5 GGBDMO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000182582038 1430497185 /nfs/dbraw/zinc/49/71/85/1430497185.db2.gz ZKQKWCLKWVBTPF-MLGOLLRUSA-N 1 1 395.406 3.285 20 5 GGBDMO C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCc2sccc2C1 ZINC000182631667 1430505849 /nfs/dbraw/zinc/50/58/49/1430505849.db2.gz IWCJHYQOLQFOAB-OLZOCXBDSA-N 1 1 391.468 3.462 20 5 GGBDMO C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2sccc2C1 ZINC000182631667 1430505853 /nfs/dbraw/zinc/50/58/53/1430505853.db2.gz IWCJHYQOLQFOAB-OLZOCXBDSA-N 1 1 391.468 3.462 20 5 GGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182819235 1430546332 /nfs/dbraw/zinc/54/63/32/1430546332.db2.gz DKYRYPYLFBANOW-GJZGRUSLSA-N 1 1 384.358 3.181 20 5 GGBDMO Cc1c(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000182880063 1430561059 /nfs/dbraw/zinc/56/10/59/1430561059.db2.gz LZFTXQBBGPUIJW-GOSISDBHSA-N 1 1 398.463 3.182 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000183018758 1430594036 /nfs/dbraw/zinc/59/40/36/1430594036.db2.gz RIZUJNDZRYYUDZ-CVEARBPZSA-N 1 1 395.525 3.143 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000183018694 1430594118 /nfs/dbraw/zinc/59/41/18/1430594118.db2.gz RIZUJNDZRYYUDZ-JKSUJKDBSA-N 1 1 395.525 3.143 20 5 GGBDMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000183479241 1430722569 /nfs/dbraw/zinc/72/25/69/1430722569.db2.gz QHRORAOVXUUUFA-LBPRGKRZSA-N 1 1 391.399 3.349 20 5 GGBDMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000183490594 1430725999 /nfs/dbraw/zinc/72/59/99/1430725999.db2.gz SBEIQAZAMHJEEY-GFCCVEGCSA-N 1 1 391.399 3.065 20 5 GGBDMO CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000183554861 1430741339 /nfs/dbraw/zinc/74/13/39/1430741339.db2.gz CPIGBMOZCZVGRY-NRFANRHFSA-N 1 1 399.491 3.329 20 5 GGBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183592066 1430749098 /nfs/dbraw/zinc/74/90/98/1430749098.db2.gz MNCVLUHGRCVQJG-UHFFFAOYSA-N 1 1 383.452 3.366 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183754842 1430787051 /nfs/dbraw/zinc/78/70/51/1430787051.db2.gz IRXHXLGUEDOHOJ-YJBOKZPZSA-N 1 1 395.525 3.291 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183754842 1430787055 /nfs/dbraw/zinc/78/70/55/1430787055.db2.gz IRXHXLGUEDOHOJ-YJBOKZPZSA-N 1 1 395.525 3.291 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183754824 1430787346 /nfs/dbraw/zinc/78/73/46/1430787346.db2.gz IRXHXLGUEDOHOJ-QAPCUYQASA-N 1 1 395.525 3.291 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183754824 1430787352 /nfs/dbraw/zinc/78/73/52/1430787352.db2.gz IRXHXLGUEDOHOJ-QAPCUYQASA-N 1 1 395.525 3.291 20 5 GGBDMO COc1cc(CN(C)Cc2[nH+]cc(C)c(OC)c2C)c([N+](=O)[O-])cc1OC ZINC000183782839 1430792994 /nfs/dbraw/zinc/79/29/94/1430792994.db2.gz LEVSXKXECBBKGC-UHFFFAOYSA-N 1 1 375.425 3.264 20 5 GGBDMO CC1([C@@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)OCCO1 ZINC000183877091 1430807862 /nfs/dbraw/zinc/80/78/62/1430807862.db2.gz NHLVTTKBBPPQLZ-MRXNPFEDSA-N 1 1 387.436 3.267 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183967612 1430820114 /nfs/dbraw/zinc/82/01/14/1430820114.db2.gz KVQAITDXEWGORL-GFCCVEGCSA-N 1 1 378.454 3.124 20 5 GGBDMO COc1cc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184195886 1430854520 /nfs/dbraw/zinc/85/45/20/1430854520.db2.gz UNZPRUQFZAHBFD-GASCZTMLSA-N 1 1 395.475 3.064 20 5 GGBDMO COc1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c([N+](=O)[O-])cc1F ZINC000184232449 1430859816 /nfs/dbraw/zinc/85/98/16/1430859816.db2.gz JJHSSFNYJTTWIK-MRXNPFEDSA-N 1 1 382.432 3.293 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184266211 1430864690 /nfs/dbraw/zinc/86/46/90/1430864690.db2.gz LSRMELWGGDOHOI-CYBMUJFWSA-N 1 1 377.420 3.295 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184266211 1430864693 /nfs/dbraw/zinc/86/46/93/1430864693.db2.gz LSRMELWGGDOHOI-CYBMUJFWSA-N 1 1 377.420 3.295 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184266232 1430864753 /nfs/dbraw/zinc/86/47/53/1430864753.db2.gz LSRMELWGGDOHOI-ZDUSSCGKSA-N 1 1 377.420 3.295 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184266232 1430864754 /nfs/dbraw/zinc/86/47/54/1430864754.db2.gz LSRMELWGGDOHOI-ZDUSSCGKSA-N 1 1 377.420 3.295 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000184350756 1430876595 /nfs/dbraw/zinc/87/65/95/1430876595.db2.gz WCCWTUDVLXQJJG-APWZRJJASA-N 1 1 382.464 3.257 20 5 GGBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000184360714 1430878015 /nfs/dbraw/zinc/87/80/15/1430878015.db2.gz ZZLRYLZCBLBGBZ-QGZVFWFLSA-N 1 1 376.504 3.144 20 5 GGBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000184360696 1430878108 /nfs/dbraw/zinc/87/81/08/1430878108.db2.gz ZZLRYLZCBLBGBZ-KRWDZBQOSA-N 1 1 376.504 3.144 20 5 GGBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184418738 1430885684 /nfs/dbraw/zinc/88/56/84/1430885684.db2.gz FCVYSVPTKBWAKB-CYBMUJFWSA-N 1 1 378.454 3.438 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184486128 1430893257 /nfs/dbraw/zinc/89/32/57/1430893257.db2.gz PVTSYCZBCRSKQG-SJORKVTESA-N 1 1 395.525 3.011 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184495250 1430894739 /nfs/dbraw/zinc/89/47/39/1430894739.db2.gz ORLNTJRIAVZWBA-INIZCTEOSA-N 1 1 391.468 3.286 20 5 GGBDMO CCC(CC)[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000184920592 1431021486 /nfs/dbraw/zinc/02/14/86/1431021486.db2.gz GZJPBDUZQHXNND-IFXJQAMLSA-N 1 1 395.475 3.091 20 5 GGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c(Cl)c1 ZINC000185097659 1431060235 /nfs/dbraw/zinc/06/02/35/1431060235.db2.gz ZRKLYDRZQRESBF-UHFFFAOYSA-N 1 1 395.868 3.078 20 5 GGBDMO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000185098210 1431060713 /nfs/dbraw/zinc/06/07/13/1431060713.db2.gz UVKBQYDKXDERLC-LBPRGKRZSA-N 1 1 399.382 3.463 20 5 GGBDMO COc1cccc(-c2noc([C@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000185116545 1431064394 /nfs/dbraw/zinc/06/43/94/1431064394.db2.gz KFSGKAUNOHCRSR-ZDUSSCGKSA-N 1 1 384.392 3.383 20 5 GGBDMO COc1cccc(-c2noc([C@H](C)[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000185134952 1431069593 /nfs/dbraw/zinc/06/95/93/1431069593.db2.gz QKZFYHPEJOFQKH-YVEFUNNKSA-N 1 1 384.392 3.038 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185299647 1431104536 /nfs/dbraw/zinc/10/45/36/1431104536.db2.gz HDHCNCDZDQVRIQ-LJQANCHMSA-N 1 1 383.448 3.000 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185299626 1431104840 /nfs/dbraw/zinc/10/48/40/1431104840.db2.gz HDHCNCDZDQVRIQ-IBGZPJMESA-N 1 1 383.448 3.000 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000185322755 1431114635 /nfs/dbraw/zinc/11/46/35/1431114635.db2.gz TZFFVQDNJSMOQL-ZFWWWQNUSA-N 1 1 378.375 3.102 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000185336126 1431118636 /nfs/dbraw/zinc/11/86/36/1431118636.db2.gz YISDRWWAAIUAAZ-BZNIZROVSA-N 1 1 390.465 3.436 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185371565 1431128461 /nfs/dbraw/zinc/12/84/61/1431128461.db2.gz NKIHNJNFHORUMO-MEDUHNTESA-N 1 1 390.465 3.436 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000185421941 1431142473 /nfs/dbraw/zinc/14/24/73/1431142473.db2.gz YRBSOAXRDZHAOX-LIRRHRJNSA-N 1 1 380.448 3.412 20 5 GGBDMO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185539488 1431167071 /nfs/dbraw/zinc/16/70/71/1431167071.db2.gz FDCRDFRNFWHHQE-IQUTYRLHSA-N 1 1 375.444 3.313 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3cccc(OC)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000185549980 1431168958 /nfs/dbraw/zinc/16/89/58/1431168958.db2.gz YCDZZHNXKGWHOP-OAHLLOKOSA-N 1 1 387.436 3.307 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3cccc(OC)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000185550003 1431169107 /nfs/dbraw/zinc/16/91/07/1431169107.db2.gz YCDZZHNXKGWHOP-HNNXBMFYSA-N 1 1 387.436 3.307 20 5 GGBDMO C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185689769 1431207016 /nfs/dbraw/zinc/20/70/16/1431207016.db2.gz WUILGIXWGOFZKM-GDBMZVCRSA-N 1 1 385.468 3.387 20 5 GGBDMO COc1ccc(OCCN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000185695196 1431208291 /nfs/dbraw/zinc/20/82/91/1431208291.db2.gz REJGYLCWEAXYPN-HZPDHXFCSA-N 1 1 377.485 3.225 20 5 GGBDMO COc1ccc(OCCN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000185695196 1431208296 /nfs/dbraw/zinc/20/82/96/1431208296.db2.gz REJGYLCWEAXYPN-HZPDHXFCSA-N 1 1 377.485 3.225 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729177 1431217543 /nfs/dbraw/zinc/21/75/43/1431217543.db2.gz YPINAUVXJACSLP-BRWVUGGUSA-N 1 1 388.512 3.473 20 5 GGBDMO C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185752068 1431224423 /nfs/dbraw/zinc/22/44/23/1431224423.db2.gz ZZEQVQWVQMVEND-UONOGXRCSA-N 1 1 394.903 3.429 20 5 GGBDMO C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754319 1431225665 /nfs/dbraw/zinc/22/56/65/1431225665.db2.gz GTKGXOOJSMHCLI-ZBFHGGJFSA-N 1 1 385.468 3.387 20 5 GGBDMO CSc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000185981760 1431304506 /nfs/dbraw/zinc/30/45/06/1431304506.db2.gz UPANBPWMKPNTMF-CQSZACIVSA-N 1 1 375.450 3.477 20 5 GGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000186009895 1431310878 /nfs/dbraw/zinc/31/08/78/1431310878.db2.gz LGXVPGAGOUPCKI-KDOFPFPSSA-N 1 1 392.887 3.407 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CC1 ZINC000186417048 1431410481 /nfs/dbraw/zinc/41/04/81/1431410481.db2.gz JBDDBYSADJFVLH-HXUWFJFHSA-N 1 1 393.447 3.154 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186627345 1431473347 /nfs/dbraw/zinc/47/33/47/1431473347.db2.gz SUPMNSVCSJVUGB-NRFANRHFSA-N 1 1 397.431 3.063 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)n2)cc1 ZINC000186697092 1431494970 /nfs/dbraw/zinc/49/49/70/1431494970.db2.gz XTVAKYBLBTXARL-FQEVSTJZSA-N 1 1 378.388 3.276 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)n2)cc1 ZINC000186697092 1431494972 /nfs/dbraw/zinc/49/49/72/1431494972.db2.gz XTVAKYBLBTXARL-FQEVSTJZSA-N 1 1 378.388 3.276 20 5 GGBDMO CSc1cccc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000186709458 1431497693 /nfs/dbraw/zinc/49/76/93/1431497693.db2.gz OMWAGMPNSGUMON-UHFFFAOYSA-N 1 1 377.441 3.318 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186716010 1431499393 /nfs/dbraw/zinc/49/93/93/1431499393.db2.gz PGVXBOIAYJDMQI-OAQYLSRUSA-N 1 1 381.432 3.363 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186716028 1431499437 /nfs/dbraw/zinc/49/94/37/1431499437.db2.gz PGVXBOIAYJDMQI-NRFANRHFSA-N 1 1 381.432 3.363 20 5 GGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186838072 1431534468 /nfs/dbraw/zinc/53/44/68/1431534468.db2.gz RHADDJWTEJMVFN-CYBMUJFWSA-N 1 1 390.465 3.304 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnn(Cc4ccc(F)cc4)c3)C2)nc1 ZINC000187341352 1431702828 /nfs/dbraw/zinc/70/28/28/1431702828.db2.gz PISJSFIPRSSLKB-SFHVURJKSA-N 1 1 396.426 3.060 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000187612301 1431779067 /nfs/dbraw/zinc/77/90/67/1431779067.db2.gz QMTKNCZQJNSZDP-HXUWFJFHSA-N 1 1 383.448 3.244 20 5 GGBDMO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000187735271 1431805580 /nfs/dbraw/zinc/80/55/80/1431805580.db2.gz RFMNHQVLYQDONP-UHFFFAOYSA-N 1 1 378.812 3.432 20 5 GGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000187735271 1431805582 /nfs/dbraw/zinc/80/55/82/1431805582.db2.gz RFMNHQVLYQDONP-UHFFFAOYSA-N 1 1 378.812 3.432 20 5 GGBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000188421605 1431882863 /nfs/dbraw/zinc/88/28/63/1431882863.db2.gz GWAVNGCJXSZBOV-UTKZUKDTSA-N 1 1 394.475 3.304 20 5 GGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188741477 1431953636 /nfs/dbraw/zinc/95/36/36/1431953636.db2.gz WPGVMIGMXRTUCU-AWEZNQCLSA-N 1 1 395.525 3.013 20 5 GGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188741477 1431953651 /nfs/dbraw/zinc/95/36/51/1431953651.db2.gz WPGVMIGMXRTUCU-AWEZNQCLSA-N 1 1 395.525 3.013 20 5 GGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)CC1(O)CCOCC1 ZINC000188832217 1431992257 /nfs/dbraw/zinc/99/22/57/1431992257.db2.gz ROGYASVQCVVWAT-UHFFFAOYSA-N 1 1 380.828 3.482 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188838248 1431994055 /nfs/dbraw/zinc/99/40/55/1431994055.db2.gz NENVZSHEUYRTTE-NRFANRHFSA-N 1 1 398.463 3.004 20 5 GGBDMO CC(C)c1ccc(C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000189108231 1432046336 /nfs/dbraw/zinc/04/63/36/1432046336.db2.gz SQBAJJHWZTXRSM-NUJGCVRESA-N 1 1 389.496 3.432 20 5 GGBDMO CC(=O)N1CC[NH+](Cc2ccccc2NC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000189443555 1432113488 /nfs/dbraw/zinc/11/34/88/1432113488.db2.gz RKTIRWFBZDKBKG-RMKNXTFCSA-N 1 1 394.475 3.384 20 5 GGBDMO CCc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[NH+](C)C)cc1 ZINC000189574700 1432164640 /nfs/dbraw/zinc/16/46/40/1432164640.db2.gz PXLSUGQKWBFRLN-SFHVURJKSA-N 1 1 391.493 3.276 20 5 GGBDMO COc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc([N+](=O)[O-])c1C ZINC000190099201 1432319364 /nfs/dbraw/zinc/31/93/64/1432319364.db2.gz VGIKBUSRBKFNKC-UHFFFAOYSA-N 1 1 398.394 3.475 20 5 GGBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000190121811 1432323467 /nfs/dbraw/zinc/32/34/67/1432323467.db2.gz BEBBIBLKRXYECG-HOTGVXAUSA-N 1 1 395.525 3.143 20 5 GGBDMO COC(=O)c1cnc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000190170863 1432332813 /nfs/dbraw/zinc/33/28/13/1432332813.db2.gz OYEIVHPXVWEJLU-ZDUSSCGKSA-N 1 1 390.465 3.162 20 5 GGBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190313534 1432358569 /nfs/dbraw/zinc/35/85/69/1432358569.db2.gz QDHKBKNNBUWCAB-NDEHPHGNSA-N 1 1 381.476 3.177 20 5 GGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190313534 1432358572 /nfs/dbraw/zinc/35/85/72/1432358572.db2.gz QDHKBKNNBUWCAB-NDEHPHGNSA-N 1 1 381.476 3.177 20 5 GGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190313534 1432358578 /nfs/dbraw/zinc/35/85/78/1432358578.db2.gz QDHKBKNNBUWCAB-NDEHPHGNSA-N 1 1 381.476 3.177 20 5 GGBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000190422108 1432378727 /nfs/dbraw/zinc/37/87/27/1432378727.db2.gz SEQNZHBUYJONOL-LJQANCHMSA-N 1 1 384.436 3.007 20 5 GGBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000190421162 1432378890 /nfs/dbraw/zinc/37/88/90/1432378890.db2.gz OYVQSLVAJZRCAL-IBGZPJMESA-N 1 1 384.436 3.007 20 5 GGBDMO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1Cc1ccc(F)cc1F ZINC000190477316 1432388983 /nfs/dbraw/zinc/38/89/83/1432388983.db2.gz FQNKQXKFOIPSNS-OAHLLOKOSA-N 1 1 381.404 3.215 20 5 GGBDMO CCn1cc([C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)cn1 ZINC000190819110 1432493509 /nfs/dbraw/zinc/49/35/09/1432493509.db2.gz CYRIGQMKHPTJDG-LJQANCHMSA-N 1 1 397.435 3.082 20 5 GGBDMO CCn1cc([C@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)cn1 ZINC000190819110 1432493510 /nfs/dbraw/zinc/49/35/10/1432493510.db2.gz CYRIGQMKHPTJDG-LJQANCHMSA-N 1 1 397.435 3.082 20 5 GGBDMO Cc1c(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000190842491 1432503780 /nfs/dbraw/zinc/50/37/80/1432503780.db2.gz HYBQSPDRGPYZBL-GOSISDBHSA-N 1 1 398.463 3.316 20 5 GGBDMO COCC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cccnc1 ZINC000191126971 1432572825 /nfs/dbraw/zinc/57/28/25/1432572825.db2.gz GHAVPQVUWPTAHP-UHFFFAOYSA-N 1 1 382.420 3.336 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000191338891 1432636311 /nfs/dbraw/zinc/63/63/11/1432636311.db2.gz CJUZMJBGGOLZNI-GJZGRUSLSA-N 1 1 378.473 3.221 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000191383531 1432646954 /nfs/dbraw/zinc/64/69/54/1432646954.db2.gz UNZIYTUYPNSDBD-IAGOWNOFSA-N 1 1 392.500 3.470 20 5 GGBDMO COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191471989 1432667349 /nfs/dbraw/zinc/66/73/49/1432667349.db2.gz OQOZJSSXKFNUTA-INIZCTEOSA-N 1 1 391.855 3.376 20 5 GGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191471989 1432667356 /nfs/dbraw/zinc/66/73/56/1432667356.db2.gz OQOZJSSXKFNUTA-INIZCTEOSA-N 1 1 391.855 3.376 20 5 GGBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191492100 1432671678 /nfs/dbraw/zinc/67/16/78/1432671678.db2.gz PUUWADLQRZMEKG-UHFFFAOYSA-N 1 1 384.440 3.316 20 5 GGBDMO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191510534 1432676104 /nfs/dbraw/zinc/67/61/04/1432676104.db2.gz DPDLHDSMGONNRE-SFHVURJKSA-N 1 1 382.420 3.334 20 5 GGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191510534 1432676109 /nfs/dbraw/zinc/67/61/09/1432676109.db2.gz DPDLHDSMGONNRE-SFHVURJKSA-N 1 1 382.420 3.334 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC000191668427 1432702785 /nfs/dbraw/zinc/70/27/85/1432702785.db2.gz KEXNQKDVCCBSBC-AWEZNQCLSA-N 1 1 384.436 3.205 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC000191668443 1432702864 /nfs/dbraw/zinc/70/28/64/1432702864.db2.gz KEXNQKDVCCBSBC-CQSZACIVSA-N 1 1 384.436 3.205 20 5 GGBDMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107480 1432799573 /nfs/dbraw/zinc/79/95/73/1432799573.db2.gz QRGBICVTUNTYPJ-QGZVFWFLSA-N 1 1 378.436 3.170 20 5 GGBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000192135208 1432804459 /nfs/dbraw/zinc/80/44/59/1432804459.db2.gz DYQBISTXIPZYDF-HOTGVXAUSA-N 1 1 395.525 3.143 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192355225 1432835924 /nfs/dbraw/zinc/83/59/24/1432835924.db2.gz UKQONFVAQOGICW-NRFANRHFSA-N 1 1 399.491 3.374 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192355219 1432835941 /nfs/dbraw/zinc/83/59/41/1432835941.db2.gz UKQONFVAQOGICW-OAQYLSRUSA-N 1 1 399.491 3.374 20 5 GGBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C[C@H]2C1 ZINC000192469558 1432848502 /nfs/dbraw/zinc/84/85/02/1432848502.db2.gz CYNCGEZWBKWXKU-GASCZTMLSA-N 1 1 383.473 3.380 20 5 GGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000192490227 1432850380 /nfs/dbraw/zinc/85/03/80/1432850380.db2.gz UNGXYZMXENWVRW-GASCZTMLSA-N 1 1 387.484 3.341 20 5 GGBDMO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000192513555 1432853563 /nfs/dbraw/zinc/85/35/63/1432853563.db2.gz UAAWEZKFHQZUHO-UHFFFAOYSA-N 1 1 379.411 3.474 20 5 GGBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000192517180 1432853746 /nfs/dbraw/zinc/85/37/46/1432853746.db2.gz ZJBPYZMLHIZVMT-GASCZTMLSA-N 1 1 397.431 3.029 20 5 GGBDMO COc1cccc(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000192528441 1432855136 /nfs/dbraw/zinc/85/51/36/1432855136.db2.gz ZZSMLPZOWPGURM-UHFFFAOYSA-N 1 1 383.448 3.340 20 5 GGBDMO COc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000192528441 1432855137 /nfs/dbraw/zinc/85/51/37/1432855137.db2.gz ZZSMLPZOWPGURM-UHFFFAOYSA-N 1 1 383.448 3.340 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000192534359 1432856374 /nfs/dbraw/zinc/85/63/74/1432856374.db2.gz BBMIKSLSOYTKJI-IRXDYDNUSA-N 1 1 397.475 3.476 20 5 GGBDMO COc1cccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000192573834 1432861770 /nfs/dbraw/zinc/86/17/70/1432861770.db2.gz QRNFIODLLPCYPX-HOTGVXAUSA-N 1 1 375.469 3.330 20 5 GGBDMO COc1cccc(COC[C@@H](O)C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000192586906 1432863132 /nfs/dbraw/zinc/86/31/32/1432863132.db2.gz GTUZJEQVMGBQIR-KRWDZBQOSA-N 1 1 394.855 3.266 20 5 GGBDMO COc1cccc(COC[C@@H](O)C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000192586906 1432863134 /nfs/dbraw/zinc/86/31/34/1432863134.db2.gz GTUZJEQVMGBQIR-KRWDZBQOSA-N 1 1 394.855 3.266 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192681167 1432874771 /nfs/dbraw/zinc/87/47/71/1432874771.db2.gz TZWACUIYUDGVCX-UHFFFAOYSA-N 1 1 385.489 3.286 20 5 GGBDMO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192810815 1432893675 /nfs/dbraw/zinc/89/36/75/1432893675.db2.gz BBBPNXZVDFRDSZ-NRFANRHFSA-N 1 1 396.491 3.053 20 5 GGBDMO O=C(NC1CC1)c1ccc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192955466 1432912813 /nfs/dbraw/zinc/91/28/13/1432912813.db2.gz XAGZGGPIMXEAMB-QGZVFWFLSA-N 1 1 394.475 3.421 20 5 GGBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2N1 ZINC000192960202 1432913449 /nfs/dbraw/zinc/91/34/49/1432913449.db2.gz QTVYGPBVJNKAOR-MRXNPFEDSA-N 1 1 380.448 3.414 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193625038 1433030670 /nfs/dbraw/zinc/03/06/70/1433030670.db2.gz BSMZAIFQOFWCMD-INIZCTEOSA-N 1 1 384.436 3.247 20 5 GGBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000193687525 1433040715 /nfs/dbraw/zinc/04/07/15/1433040715.db2.gz PJRGCUDMXRCUOD-MRXNPFEDSA-N 1 1 393.827 3.173 20 5 GGBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC000193691315 1433041803 /nfs/dbraw/zinc/04/18/03/1433041803.db2.gz RCAZCJLTZCUPPQ-QGZVFWFLSA-N 1 1 377.828 3.472 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193784928 1433059043 /nfs/dbraw/zinc/05/90/43/1433059043.db2.gz OPFWTTQQIGBSIL-GOSISDBHSA-N 1 1 383.448 3.002 20 5 GGBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000193791549 1433060426 /nfs/dbraw/zinc/06/04/26/1433060426.db2.gz FDZSXGQJDLKBHD-QGZVFWFLSA-N 1 1 394.475 3.421 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193803705 1433063119 /nfs/dbraw/zinc/06/31/19/1433063119.db2.gz DHOZBCQELKPUQI-KRWDZBQOSA-N 1 1 392.459 3.257 20 5 GGBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000193839276 1433070674 /nfs/dbraw/zinc/07/06/74/1433070674.db2.gz JIANJNNIZDNAHZ-QGZVFWFLSA-N 1 1 390.443 3.395 20 5 GGBDMO CN(C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000193880162 1433077567 /nfs/dbraw/zinc/07/75/67/1433077567.db2.gz IAWKAYPXNKOSLN-ZDUSSCGKSA-N 1 1 394.428 3.192 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000193880162 1433077569 /nfs/dbraw/zinc/07/75/69/1433077569.db2.gz IAWKAYPXNKOSLN-ZDUSSCGKSA-N 1 1 394.428 3.192 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000193929771 1433086974 /nfs/dbraw/zinc/08/69/74/1433086974.db2.gz HONHYAKUJCWSDI-KRWDZBQOSA-N 1 1 383.448 3.388 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000193947158 1433090503 /nfs/dbraw/zinc/09/05/03/1433090503.db2.gz SEBWLFZXDGTJGT-OAHLLOKOSA-N 1 1 378.473 3.057 20 5 GGBDMO COc1cccc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000193979683 1433095542 /nfs/dbraw/zinc/09/55/42/1433095542.db2.gz RHGAQPBDUUHCIU-UHFFFAOYSA-N 1 1 383.448 3.170 20 5 GGBDMO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000194058905 1433109587 /nfs/dbraw/zinc/10/95/87/1433109587.db2.gz OMLQTQFUCSGZOO-AEFFLSMTSA-N 1 1 382.464 3.477 20 5 GGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000194235102 1433145420 /nfs/dbraw/zinc/14/54/20/1433145420.db2.gz OFXPMUCAHHEAAF-IBGZPJMESA-N 1 1 382.464 3.401 20 5 GGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000194235084 1433145547 /nfs/dbraw/zinc/14/55/47/1433145547.db2.gz OFXPMUCAHHEAAF-LJQANCHMSA-N 1 1 382.464 3.401 20 5 GGBDMO COc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000194325367 1433161742 /nfs/dbraw/zinc/16/17/42/1433161742.db2.gz NAMLGQRIENMOJL-MRXNPFEDSA-N 1 1 375.469 3.378 20 5 GGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000194379576 1433169089 /nfs/dbraw/zinc/16/90/89/1433169089.db2.gz FKGVKYPXUNQDTE-OAHLLOKOSA-N 1 1 384.354 3.485 20 5 GGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000194379576 1433169092 /nfs/dbraw/zinc/16/90/92/1433169092.db2.gz FKGVKYPXUNQDTE-OAHLLOKOSA-N 1 1 384.354 3.485 20 5 GGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194415874 1433174702 /nfs/dbraw/zinc/17/47/02/1433174702.db2.gz FECFIIBDRPQXIU-GOSISDBHSA-N 1 1 382.464 3.258 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000194530756 1433193208 /nfs/dbraw/zinc/19/32/08/1433193208.db2.gz APYANNAUMWKNCO-LJQANCHMSA-N 1 1 397.475 3.310 20 5 GGBDMO COc1cccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194543375 1433195191 /nfs/dbraw/zinc/19/51/91/1433195191.db2.gz LQVUYBFLSNWPSX-QGZVFWFLSA-N 1 1 383.448 3.340 20 5 GGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000194588665 1433202107 /nfs/dbraw/zinc/20/21/07/1433202107.db2.gz AAEOTKRDCVHOAY-QGZVFWFLSA-N 1 1 383.448 3.245 20 5 GGBDMO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194614646 1433205472 /nfs/dbraw/zinc/20/54/72/1433205472.db2.gz FZSSTOZQZNWWRB-DOTOQJQBSA-N 1 1 383.448 3.386 20 5 GGBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000194701286 1433217405 /nfs/dbraw/zinc/21/74/05/1433217405.db2.gz FWBIHNNDWKACPJ-OAHLLOKOSA-N 1 1 385.420 3.220 20 5 GGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194873121 1433253848 /nfs/dbraw/zinc/25/38/48/1433253848.db2.gz WUPGFMHHINRWFA-HXUWFJFHSA-N 1 1 391.468 3.143 20 5 GGBDMO COc1cccc(C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000194878473 1433255093 /nfs/dbraw/zinc/25/50/93/1433255093.db2.gz JWPDJNGLXDCWKQ-UHFFFAOYSA-N 1 1 383.448 3.446 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000195269177 1433313845 /nfs/dbraw/zinc/31/38/45/1433313845.db2.gz OLILGAOHNBJBQY-UHFFFAOYSA-N 1 1 376.501 3.138 20 5 GGBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000195342191 1433320745 /nfs/dbraw/zinc/32/07/45/1433320745.db2.gz VOLZXSZUBUYALU-UHFFFAOYSA-N 1 1 377.876 3.485 20 5 GGBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000195342191 1433320747 /nfs/dbraw/zinc/32/07/47/1433320747.db2.gz VOLZXSZUBUYALU-UHFFFAOYSA-N 1 1 377.876 3.485 20 5 GGBDMO COc1cccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000195446063 1433330644 /nfs/dbraw/zinc/33/06/44/1433330644.db2.gz DFUXZNLGEBQPKS-UHFFFAOYSA-N 1 1 375.469 3.332 20 5 GGBDMO COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000195456793 1433331887 /nfs/dbraw/zinc/33/18/87/1433331887.db2.gz QDESRWXJEXNCKU-INIZCTEOSA-N 1 1 377.828 3.290 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000195527041 1433338623 /nfs/dbraw/zinc/33/86/23/1433338623.db2.gz SPVRHHQOLAEEGT-JTQLQIEISA-N 1 1 381.404 3.111 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000195527041 1433338625 /nfs/dbraw/zinc/33/86/25/1433338625.db2.gz SPVRHHQOLAEEGT-JTQLQIEISA-N 1 1 381.404 3.111 20 5 GGBDMO Cc1cc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195692230 1433344691 /nfs/dbraw/zinc/34/46/91/1433344691.db2.gz REXHBYRFFNSNOP-IAGOWNOFSA-N 1 1 397.475 3.442 20 5 GGBDMO O=[N+]([O-])c1cc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)c2c(c1)COCO2 ZINC000214179932 1433360696 /nfs/dbraw/zinc/36/06/96/1433360696.db2.gz VRJHKJJRGNEIKC-DAXSKMNVSA-N 1 1 395.459 3.292 20 5 GGBDMO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236882842 1433381945 /nfs/dbraw/zinc/38/19/45/1433381945.db2.gz WXWXNKOIZQAVBT-CHWSQXEVSA-N 1 1 375.425 3.256 20 5 GGBDMO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236888832 1433382299 /nfs/dbraw/zinc/38/22/99/1433382299.db2.gz WXWXNKOIZQAVBT-OLZOCXBDSA-N 1 1 375.425 3.256 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCN3CCC(O)CC3)o2)c(Cl)c1 ZINC000238151160 1433444236 /nfs/dbraw/zinc/44/42/36/1433444236.db2.gz JIRNEBLZKMDZSM-UHFFFAOYSA-N 1 1 393.871 3.445 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000245408651 1433462066 /nfs/dbraw/zinc/46/20/66/1433462066.db2.gz IGYHWESQLJNFKJ-QAPCUYQASA-N 1 1 377.485 3.024 20 5 GGBDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000245432043 1433466695 /nfs/dbraw/zinc/46/66/95/1433466695.db2.gz BBYYBOYVWAGNTM-HZPDHXFCSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000245432043 1433466698 /nfs/dbraw/zinc/46/66/98/1433466698.db2.gz BBYYBOYVWAGNTM-HZPDHXFCSA-N 1 1 383.452 3.120 20 5 GGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245434040 1433466956 /nfs/dbraw/zinc/46/69/56/1433466956.db2.gz CCYQHYDJSGODRP-IEBWSBKVSA-N 1 1 396.491 3.376 20 5 GGBDMO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245441398 1433468388 /nfs/dbraw/zinc/46/83/88/1433468388.db2.gz HHZARRLZJNXSBM-UKRRQHHQSA-N 1 1 380.408 3.287 20 5 GGBDMO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245441398 1433468390 /nfs/dbraw/zinc/46/83/90/1433468390.db2.gz HHZARRLZJNXSBM-UKRRQHHQSA-N 1 1 380.408 3.287 20 5 GGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245445775 1433469022 /nfs/dbraw/zinc/46/90/22/1433469022.db2.gz KQKMUIZLVIKMLZ-FUHWJXTLSA-N 1 1 383.448 3.461 20 5 GGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245445775 1433469023 /nfs/dbraw/zinc/46/90/23/1433469023.db2.gz KQKMUIZLVIKMLZ-FUHWJXTLSA-N 1 1 383.448 3.461 20 5 GGBDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000245447632 1433469694 /nfs/dbraw/zinc/46/96/94/1433469694.db2.gz MFMCWBWORYDGMQ-HZPDHXFCSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000245447632 1433469695 /nfs/dbraw/zinc/46/96/95/1433469695.db2.gz MFMCWBWORYDGMQ-HZPDHXFCSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245446560 1433469698 /nfs/dbraw/zinc/46/96/98/1433469698.db2.gz LHFXHUVYEAAYIN-GVDBMIGSSA-N 1 1 397.479 3.050 20 5 GGBDMO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245446560 1433469699 /nfs/dbraw/zinc/46/96/99/1433469699.db2.gz LHFXHUVYEAAYIN-GVDBMIGSSA-N 1 1 397.479 3.050 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)c3ccccc3C(F)(F)F)C2)nc1 ZINC000245450451 1433469995 /nfs/dbraw/zinc/46/99/95/1433469995.db2.gz OPSVBSRGHBIKPW-WBMJQRKESA-N 1 1 396.369 3.228 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H](O)c3ccccc3C(F)(F)F)C2)nc1 ZINC000245450451 1433469996 /nfs/dbraw/zinc/46/99/96/1433469996.db2.gz OPSVBSRGHBIKPW-WBMJQRKESA-N 1 1 396.369 3.228 20 5 GGBDMO O=C1[C@@H]([N@H+]2CC[C@@H](COCc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245449634 1433470001 /nfs/dbraw/zinc/47/00/01/1433470001.db2.gz NWKXGVFKDMBYHM-NQIIRXRSSA-N 1 1 395.459 3.239 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000245675552 1433498207 /nfs/dbraw/zinc/49/82/07/1433498207.db2.gz KZJBLFUBCFGUFJ-CABCVRRESA-N 1 1 395.525 3.184 20 5 GGBDMO COc1cc2c(c(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c1)O[C@H](C)C2 ZINC000245716254 1433505146 /nfs/dbraw/zinc/50/51/46/1433505146.db2.gz HAFDWKMUZVHWTE-CZUORRHYSA-N 1 1 384.436 3.008 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000245789732 1433518050 /nfs/dbraw/zinc/51/80/50/1433518050.db2.gz NNLXLLIZVPZHKV-XJKSGUPXSA-N 1 1 383.876 3.115 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1SC ZINC000245839832 1433524747 /nfs/dbraw/zinc/52/47/47/1433524747.db2.gz FONAXLPLFHIGEZ-CHWSQXEVSA-N 1 1 381.498 3.176 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)n2)cc1 ZINC000245878404 1433532349 /nfs/dbraw/zinc/53/23/49/1433532349.db2.gz MZEAATCVDRRUFV-HOTGVXAUSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)n2)cc1 ZINC000245878404 1433532356 /nfs/dbraw/zinc/53/23/56/1433532356.db2.gz MZEAATCVDRRUFV-HOTGVXAUSA-N 1 1 390.465 3.131 20 5 GGBDMO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245897670 1433536959 /nfs/dbraw/zinc/53/69/59/1433536959.db2.gz STILKUFTWCYCDI-VQTJNVASSA-N 1 1 383.448 3.064 20 5 GGBDMO C[C@@H](N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000246024803 1433558879 /nfs/dbraw/zinc/55/88/79/1433558879.db2.gz KRCHYAGLCQXYFI-UWVAXJGDSA-N 1 1 396.491 3.025 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246169696 1433577309 /nfs/dbraw/zinc/57/73/09/1433577309.db2.gz PNWWVMXGZWAPDB-SUMWQHHRSA-N 1 1 383.876 3.115 20 5 GGBDMO CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000246196093 1433580991 /nfs/dbraw/zinc/58/09/91/1433580991.db2.gz AGVMDQSROITWCQ-ROUUACIJSA-N 1 1 393.484 3.350 20 5 GGBDMO O=C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246280688 1433589302 /nfs/dbraw/zinc/58/93/02/1433589302.db2.gz AWVYBDOIXFTDCX-SUMWQHHRSA-N 1 1 392.887 3.135 20 5 GGBDMO C[C@]1(O)CC[N@@H+]([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000246289581 1433590039 /nfs/dbraw/zinc/59/00/39/1433590039.db2.gz AHEDBZVMZZSNBH-MJGOQNOKSA-N 1 1 389.839 3.385 20 5 GGBDMO C[C@]1(O)CC[N@H+]([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000246289581 1433590043 /nfs/dbraw/zinc/59/00/43/1433590043.db2.gz AHEDBZVMZZSNBH-MJGOQNOKSA-N 1 1 389.839 3.385 20 5 GGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246295215 1433591201 /nfs/dbraw/zinc/59/12/01/1433591201.db2.gz BIRLVSFXLZDNNV-XHSDSOJGSA-N 1 1 395.525 3.081 20 5 GGBDMO COc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000246314358 1433593587 /nfs/dbraw/zinc/59/35/87/1433593587.db2.gz GJWUNCHZJNMSOU-HZPDHXFCSA-N 1 1 375.469 3.330 20 5 GGBDMO CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246319369 1433594354 /nfs/dbraw/zinc/59/43/54/1433594354.db2.gz RORDAPUXALHXHD-WOJBJXKFSA-N 1 1 376.428 3.459 20 5 GGBDMO O=C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246528561 1433625577 /nfs/dbraw/zinc/62/55/77/1433625577.db2.gz JGDXOQZCMAIYJL-UGSOOPFHSA-N 1 1 392.887 3.135 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000246558924 1433630793 /nfs/dbraw/zinc/63/07/93/1433630793.db2.gz KNUYYPKJIWWJFM-MAUKXSAKSA-N 1 1 387.436 3.413 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246652346 1433645485 /nfs/dbraw/zinc/64/54/85/1433645485.db2.gz CQUKVGADSZPCBJ-YPGOJHLTSA-N 1 1 381.476 3.410 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000246664623 1433647024 /nfs/dbraw/zinc/64/70/24/1433647024.db2.gz CZZMLVOSOZNVSH-YPGOJHLTSA-N 1 1 397.475 3.246 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000246785063 1433665925 /nfs/dbraw/zinc/66/59/25/1433665925.db2.gz OTJZYCGCIAYOSV-RDJZCZTQSA-N 1 1 383.448 3.495 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246796864 1433668508 /nfs/dbraw/zinc/66/85/08/1433668508.db2.gz MPSZZWWAEFVIDN-JXFKEZNVSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246796864 1433668509 /nfs/dbraw/zinc/66/85/09/1433668509.db2.gz MPSZZWWAEFVIDN-JXFKEZNVSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246796864 1433668510 /nfs/dbraw/zinc/66/85/10/1433668510.db2.gz MPSZZWWAEFVIDN-JXFKEZNVSA-N 1 1 386.496 3.181 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246831855 1433675871 /nfs/dbraw/zinc/67/58/71/1433675871.db2.gz RQVUACLGEZDQHW-FUHWJXTLSA-N 1 1 391.512 3.387 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246831878 1433676020 /nfs/dbraw/zinc/67/60/20/1433676020.db2.gz RQVUACLGEZDQHW-WMZOPIPTSA-N 1 1 391.512 3.387 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246843835 1433677428 /nfs/dbraw/zinc/67/74/28/1433677428.db2.gz OTWWRNBFUXHJMY-OXJNMPFZSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246843835 1433677430 /nfs/dbraw/zinc/67/74/30/1433677430.db2.gz OTWWRNBFUXHJMY-OXJNMPFZSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246843835 1433677432 /nfs/dbraw/zinc/67/74/32/1433677432.db2.gz OTWWRNBFUXHJMY-OXJNMPFZSA-N 1 1 386.496 3.181 20 5 GGBDMO CCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000247249529 1433696600 /nfs/dbraw/zinc/69/66/00/1433696600.db2.gz VZMLVWIJZFPNBC-CABCVRRESA-N 1 1 379.457 3.212 20 5 GGBDMO CCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000247249529 1433696604 /nfs/dbraw/zinc/69/66/04/1433696604.db2.gz VZMLVWIJZFPNBC-CABCVRRESA-N 1 1 379.457 3.212 20 5 GGBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000247504802 1433730673 /nfs/dbraw/zinc/73/06/73/1433730673.db2.gz MAIPCPNCXFTMMN-TZIWHRDSSA-N 1 1 385.464 3.238 20 5 GGBDMO CC1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000247521856 1433733118 /nfs/dbraw/zinc/73/31/18/1433733118.db2.gz WMGHLOLXYUEGFR-AEFFLSMTSA-N 1 1 388.512 3.243 20 5 GGBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000247687867 1433746422 /nfs/dbraw/zinc/74/64/22/1433746422.db2.gz VIJGAICWTCSZFW-MLGOLLRUSA-N 1 1 386.374 3.254 20 5 GGBDMO Nc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000247966345 1433759859 /nfs/dbraw/zinc/75/98/59/1433759859.db2.gz GVUINDNAZXSLTE-UYAOXDASSA-N 1 1 394.475 3.304 20 5 GGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000247993918 1433761900 /nfs/dbraw/zinc/76/19/00/1433761900.db2.gz JSWNKIMHCFMCDW-BXUZGUMPSA-N 1 1 384.383 3.144 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000248148283 1433774796 /nfs/dbraw/zinc/77/47/96/1433774796.db2.gz UIYFAEVDUHWVCM-HNNXBMFYSA-N 1 1 385.468 3.301 20 5 GGBDMO COC(=O)c1ccc(N2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)[C@H](C)C2)cc1 ZINC000248150099 1433774956 /nfs/dbraw/zinc/77/49/56/1433774956.db2.gz JGOKWRLZACEYNV-OAHLLOKOSA-N 1 1 383.448 3.401 20 5 GGBDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)[C@H](C)C2)cc1 ZINC000248150099 1433774960 /nfs/dbraw/zinc/77/49/60/1433774960.db2.gz JGOKWRLZACEYNV-OAHLLOKOSA-N 1 1 383.448 3.401 20 5 GGBDMO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000248385728 1433791929 /nfs/dbraw/zinc/79/19/29/1433791929.db2.gz JSXXWYIAXQPPOR-WOJBJXKFSA-N 1 1 388.512 3.004 20 5 GGBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](c2ccccc2)C1 ZINC000248390606 1433793872 /nfs/dbraw/zinc/79/38/72/1433793872.db2.gz BJOVANBQTQGMDI-GOSISDBHSA-N 1 1 388.855 3.175 20 5 GGBDMO C[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](c2ccccc2)C1 ZINC000248390606 1433793873 /nfs/dbraw/zinc/79/38/73/1433793873.db2.gz BJOVANBQTQGMDI-GOSISDBHSA-N 1 1 388.855 3.175 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000248401017 1433797762 /nfs/dbraw/zinc/79/77/62/1433797762.db2.gz YRBSOAXRDZHAOX-AUUYWEPGSA-N 1 1 380.448 3.412 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000248401018 1433797941 /nfs/dbraw/zinc/79/79/41/1433797941.db2.gz YRBSOAXRDZHAOX-IFXJQAMLSA-N 1 1 380.448 3.412 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248439646 1433802830 /nfs/dbraw/zinc/80/28/30/1433802830.db2.gz IRXHXLGUEDOHOJ-MAUKXSAKSA-N 1 1 395.525 3.291 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248439646 1433802831 /nfs/dbraw/zinc/80/28/31/1433802831.db2.gz IRXHXLGUEDOHOJ-MAUKXSAKSA-N 1 1 395.525 3.291 20 5 GGBDMO Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000248464021 1433805030 /nfs/dbraw/zinc/80/50/30/1433805030.db2.gz QXQSWMVRUPETKI-CZUORRHYSA-N 1 1 377.466 3.109 20 5 GGBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000248470728 1433805336 /nfs/dbraw/zinc/80/53/36/1433805336.db2.gz VGMINFQVEUJBMY-CZUORRHYSA-N 1 1 391.493 3.363 20 5 GGBDMO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248547346 1433807744 /nfs/dbraw/zinc/80/77/44/1433807744.db2.gz FDCRDFRNFWHHQE-NJSLBKSFSA-N 1 1 375.444 3.313 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000248614727 1433811523 /nfs/dbraw/zinc/81/15/23/1433811523.db2.gz YPINAUVXJACSLP-ULQDDVLXSA-N 1 1 388.512 3.473 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000248823577 1433824141 /nfs/dbraw/zinc/82/41/41/1433824141.db2.gz LQHPBRNHGVOHNP-QVKFZJNVSA-N 1 1 392.459 3.255 20 5 GGBDMO COc1cccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000248841065 1433825310 /nfs/dbraw/zinc/82/53/10/1433825310.db2.gz QRNFIODLLPCYPX-JKSUJKDBSA-N 1 1 375.469 3.330 20 5 GGBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000248886136 1433827871 /nfs/dbraw/zinc/82/78/71/1433827871.db2.gz XYSDQRBWBSIEMJ-GMBSWORKSA-N 1 1 385.420 3.066 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000249035693 1433832698 /nfs/dbraw/zinc/83/26/98/1433832698.db2.gz TZFFVQDNJSMOQL-UKRRQHHQSA-N 1 1 378.375 3.102 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000249139803 1433837126 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/nfs/dbraw/zinc/85/34/43/1433853443.db2.gz JWZQLXKVOYTKLU-GDBMZVCRSA-N 1 1 399.447 3.429 20 5 GGBDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000249871144 1433853444 /nfs/dbraw/zinc/85/34/44/1433853444.db2.gz JWZQLXKVOYTKLU-GDBMZVCRSA-N 1 1 399.447 3.429 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000251782842 1433860534 /nfs/dbraw/zinc/86/05/34/1433860534.db2.gz WGJPRCWMACOSIV-QRWLVFNGSA-N 1 1 399.447 3.394 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000251782842 1433860535 /nfs/dbraw/zinc/86/05/35/1433860535.db2.gz WGJPRCWMACOSIV-QRWLVFNGSA-N 1 1 399.447 3.394 20 5 GGBDMO C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000252189171 1433862850 /nfs/dbraw/zinc/86/28/50/1433862850.db2.gz RIMZDRFGFUKEPI-NWDGAFQWSA-N 1 1 386.399 3.438 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000252441540 1433863176 /nfs/dbraw/zinc/86/31/76/1433863176.db2.gz NICIVYJEWYREAO-ZIAGYGMSSA-N 1 1 378.448 3.043 20 5 GGBDMO CN1CCO[C@H]([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000252736376 1433864816 /nfs/dbraw/zinc/86/48/16/1433864816.db2.gz UPQXSZSXKCOZSH-OALUTQOASA-N 1 1 375.856 3.410 20 5 GGBDMO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000252802580 1433864976 /nfs/dbraw/zinc/86/49/76/1433864976.db2.gz PIBHSSLIFQAVLV-WMLDXEAASA-N 1 1 375.469 3.061 20 5 GGBDMO COc1cccc(OCC[NH+]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000255845554 1433890205 /nfs/dbraw/zinc/89/02/05/1433890205.db2.gz MMLFBRVHMGTRGZ-ALCCZGGFSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000255952958 1433892508 /nfs/dbraw/zinc/89/25/08/1433892508.db2.gz CSRSTTLFYPAZDB-RHSMWYFYSA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000255952958 1433892509 /nfs/dbraw/zinc/89/25/09/1433892509.db2.gz CSRSTTLFYPAZDB-RHSMWYFYSA-N 1 1 385.420 3.084 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262079594 1433926454 /nfs/dbraw/zinc/92/64/54/1433926454.db2.gz XLVYDXJCISSQRF-LJQANCHMSA-N 1 1 386.427 3.099 20 5 GGBDMO C[N@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000263477817 1434008287 /nfs/dbraw/zinc/00/82/87/1434008287.db2.gz FQVIWHYTFZHYET-UHFFFAOYSA-N 1 1 389.477 3.304 20 5 GGBDMO C[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000263477817 1434008290 /nfs/dbraw/zinc/00/82/90/1434008290.db2.gz FQVIWHYTFZHYET-UHFFFAOYSA-N 1 1 389.477 3.304 20 5 GGBDMO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000263521636 1434011096 /nfs/dbraw/zinc/01/10/96/1434011096.db2.gz RGEOSYPNPJKNFJ-OAHLLOKOSA-N 1 1 387.436 3.226 20 5 GGBDMO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000263521636 1434011099 /nfs/dbraw/zinc/01/10/99/1434011099.db2.gz RGEOSYPNPJKNFJ-OAHLLOKOSA-N 1 1 387.436 3.226 20 5 GGBDMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000263521636 1434011104 /nfs/dbraw/zinc/01/11/04/1434011104.db2.gz RGEOSYPNPJKNFJ-OAHLLOKOSA-N 1 1 387.436 3.226 20 5 GGBDMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000263521636 1434011108 /nfs/dbraw/zinc/01/11/08/1434011108.db2.gz RGEOSYPNPJKNFJ-OAHLLOKOSA-N 1 1 387.436 3.226 20 5 GGBDMO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000263529580 1434011589 /nfs/dbraw/zinc/01/15/89/1434011589.db2.gz VTFWUPUOCJPHKE-UHFFFAOYSA-N 1 1 389.477 3.350 20 5 GGBDMO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000263529580 1434011592 /nfs/dbraw/zinc/01/15/92/1434011592.db2.gz VTFWUPUOCJPHKE-UHFFFAOYSA-N 1 1 389.477 3.350 20 5 GGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(N2CCOC2=O)cc1 ZINC000263705945 1434023531 /nfs/dbraw/zinc/02/35/31/1434023531.db2.gz SINWIIOBKNCBIS-CYBMUJFWSA-N 1 1 399.403 3.269 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264404572 1434108168 /nfs/dbraw/zinc/10/81/68/1434108168.db2.gz XAVUDZKQSWIPRI-INIZCTEOSA-N 1 1 398.463 3.347 20 5 GGBDMO C[C@@H](c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000264509216 1434122245 /nfs/dbraw/zinc/12/22/45/1434122245.db2.gz ZJHHKPWTDVVWLJ-HNNXBMFYSA-N 1 1 385.420 3.006 20 5 GGBDMO O=[N+]([O-])c1ccccc1NCc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000264562752 1434128285 /nfs/dbraw/zinc/12/82/85/1434128285.db2.gz AQKCFEOGMCMOEG-UHFFFAOYSA-N 1 1 395.419 3.089 20 5 GGBDMO CC[N@H+]1CCCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000264602787 1434133424 /nfs/dbraw/zinc/13/34/24/1434133424.db2.gz FDYQDPRXIRPFBD-INIZCTEOSA-N 1 1 397.479 3.331 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)oc1C ZINC000264809574 1434156784 /nfs/dbraw/zinc/15/67/84/1434156784.db2.gz WCUVMNAPQNCIMQ-UHFFFAOYSA-N 1 1 389.412 3.432 20 5 GGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000264949459 1434166932 /nfs/dbraw/zinc/16/69/32/1434166932.db2.gz KPDORILMTGQRRG-UHFFFAOYSA-N 1 1 383.448 3.210 20 5 GGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000265005596 1434173779 /nfs/dbraw/zinc/17/37/79/1434173779.db2.gz UBVHCKLDORNJDP-CYBMUJFWSA-N 1 1 381.498 3.320 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000265078828 1434182594 /nfs/dbraw/zinc/18/25/94/1434182594.db2.gz QYLKTAVEOJJBIK-CVEARBPZSA-N 1 1 395.525 3.089 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000265078838 1434182624 /nfs/dbraw/zinc/18/26/24/1434182624.db2.gz QYLKTAVEOJJBIK-JKSUJKDBSA-N 1 1 395.525 3.089 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000265777302 1434264476 /nfs/dbraw/zinc/26/44/76/1434264476.db2.gz OCLKHZMEICBMBX-LPHOPBHVSA-N 1 1 391.512 3.126 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000265842060 1434271364 /nfs/dbraw/zinc/27/13/64/1434271364.db2.gz VSIYORUNEFGTOA-UHFFFAOYSA-N 1 1 379.420 3.078 20 5 GGBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000266101663 1434303681 /nfs/dbraw/zinc/30/36/81/1434303681.db2.gz LALQIZXPRTWATQ-UHFFFAOYSA-N 1 1 379.460 3.187 20 5 GGBDMO C[C@@H](Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000266427661 1434334978 /nfs/dbraw/zinc/33/49/78/1434334978.db2.gz CLMDFYAXUVRLJG-MRXNPFEDSA-N 1 1 382.464 3.084 20 5 GGBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266915260 1434388120 /nfs/dbraw/zinc/38/81/20/1434388120.db2.gz XFIYKXBMIJOTII-KBPBESRZSA-N 1 1 377.466 3.257 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266946400 1434391486 /nfs/dbraw/zinc/39/14/86/1434391486.db2.gz SNTBGMYQWFZEBP-RYUDHWBXSA-N 1 1 377.832 3.178 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000267633157 1434451677 /nfs/dbraw/zinc/45/16/77/1434451677.db2.gz SZEPIWWWUXKIBC-OCCSQVGLSA-N 1 1 390.440 3.471 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000267633157 1434451679 /nfs/dbraw/zinc/45/16/79/1434451679.db2.gz SZEPIWWWUXKIBC-OCCSQVGLSA-N 1 1 390.440 3.471 20 5 GGBDMO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000267791895 1434465142 /nfs/dbraw/zinc/46/51/42/1434465142.db2.gz WIWMEXWPVRMJRZ-HNNXBMFYSA-N 1 1 390.509 3.467 20 5 GGBDMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000267791895 1434465143 /nfs/dbraw/zinc/46/51/43/1434465143.db2.gz WIWMEXWPVRMJRZ-HNNXBMFYSA-N 1 1 390.509 3.467 20 5 GGBDMO Cc1nc2sccn2c1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000268187744 1434500747 /nfs/dbraw/zinc/50/07/47/1434500747.db2.gz DKOQRHBVIKUDCA-UHFFFAOYSA-N 1 1 387.465 3.381 20 5 GGBDMO CO[C@@H](C)c1nc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000269077544 1434588878 /nfs/dbraw/zinc/58/88/78/1434588878.db2.gz NTSYYCRCDNMQGH-NEPJUHHUSA-N 1 1 378.454 3.266 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269335891 1434626797 /nfs/dbraw/zinc/62/67/97/1434626797.db2.gz BHQZPZGYJYVZOL-GOEBONIOSA-N 1 1 385.468 3.224 20 5 GGBDMO O=C(c1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000269407410 1434640171 /nfs/dbraw/zinc/64/01/71/1434640171.db2.gz IBHGVUMSFZXJIE-JXFKEZNVSA-N 1 1 398.507 3.284 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)C[C@H](O)c3ccccc3)cs2)c1 ZINC000269932616 1434688025 /nfs/dbraw/zinc/68/80/25/1434688025.db2.gz NKXOIEWAKMCMGR-APWZRJJASA-N 1 1 399.472 3.293 20 5 GGBDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270111332 1434704110 /nfs/dbraw/zinc/70/41/10/1434704110.db2.gz DGTVIRPTDRYBPL-QGZVFWFLSA-N 1 1 393.447 3.016 20 5 GGBDMO COc1cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1OC ZINC000270161833 1434708361 /nfs/dbraw/zinc/70/83/61/1434708361.db2.gz UEAKRTRSFLZPBY-QDXKXIGTSA-N 1 1 378.450 3.200 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c2c(c1)COCO2 ZINC000270464290 1434735644 /nfs/dbraw/zinc/73/56/44/1434735644.db2.gz MMMAAACTWQJZPW-KRWDZBQOSA-N 1 1 394.431 3.476 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000270833800 1434779724 /nfs/dbraw/zinc/77/97/24/1434779724.db2.gz SSAFIFKKAMVANV-OAHLLOKOSA-N 1 1 395.525 3.137 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000270945642 1434789973 /nfs/dbraw/zinc/78/99/73/1434789973.db2.gz KFFRZMFBTKCRQM-UHFFFAOYSA-N 1 1 377.485 3.114 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000271080229 1434800758 /nfs/dbraw/zinc/80/07/58/1434800758.db2.gz QWHFTENOZSDCSL-UHFFFAOYSA-N 1 1 392.481 3.001 20 5 GGBDMO COC[C@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000271150503 1434804997 /nfs/dbraw/zinc/80/49/97/1434804997.db2.gz AWOUPDYVJOQCNO-NSHDSACASA-N 1 1 378.347 3.013 20 5 GGBDMO COC[C@@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000271150501 1434805027 /nfs/dbraw/zinc/80/50/27/1434805027.db2.gz AWOUPDYVJOQCNO-LLVKDONJSA-N 1 1 378.347 3.013 20 5 GGBDMO COc1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c([N+](=O)[O-])cc1OC ZINC000271169504 1434805808 /nfs/dbraw/zinc/80/58/08/1434805808.db2.gz DMOZNIDQSUBPKM-QGZVFWFLSA-N 1 1 394.468 3.162 20 5 GGBDMO COc1cc(C[NH2+]Cc2cccc3c2OCO3)c([N+](=O)[O-])cc1OCC(F)F ZINC000272456239 1434897603 /nfs/dbraw/zinc/89/76/03/1434897603.db2.gz QEBVKUUYZXTFOO-UHFFFAOYSA-N 1 1 396.346 3.266 20 5 GGBDMO COc1ccc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000272474283 1434898860 /nfs/dbraw/zinc/89/88/60/1434898860.db2.gz AYDWDBALCLQJHD-IBGZPJMESA-N 1 1 384.411 3.398 20 5 GGBDMO COc1ccc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000272474286 1434898898 /nfs/dbraw/zinc/89/88/98/1434898898.db2.gz AYDWDBALCLQJHD-LJQANCHMSA-N 1 1 384.411 3.398 20 5 GGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272486543 1434899732 /nfs/dbraw/zinc/89/97/32/1434899732.db2.gz DCHVMAMXIGMKID-ICSRJNTNSA-N 1 1 380.448 3.174 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272487920 1434899850 /nfs/dbraw/zinc/89/98/50/1434899850.db2.gz DHCGPMLHVRRZAD-MRXNPFEDSA-N 1 1 397.401 3.034 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272494707 1434900125 /nfs/dbraw/zinc/90/01/25/1434900125.db2.gz FOKRHMSECGXPNW-FXAWDEMLSA-N 1 1 385.512 3.375 20 5 GGBDMO Cn1ccnc1[C@@H](NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272539081 1434905741 /nfs/dbraw/zinc/90/57/41/1434905741.db2.gz OREZZXNUUDISON-QUCCMNQESA-N 1 1 395.463 3.437 20 5 GGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000272571785 1434908972 /nfs/dbraw/zinc/90/89/72/1434908972.db2.gz SADUJQIRFVWJLL-CRAIPNDOSA-N 1 1 383.448 3.426 20 5 GGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000272571785 1434908977 /nfs/dbraw/zinc/90/89/77/1434908977.db2.gz SADUJQIRFVWJLL-CRAIPNDOSA-N 1 1 383.448 3.426 20 5 GGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000272571791 1434909016 /nfs/dbraw/zinc/90/90/16/1434909016.db2.gz SADUJQIRFVWJLL-QAPCUYQASA-N 1 1 383.448 3.426 20 5 GGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000272571791 1434909018 /nfs/dbraw/zinc/90/90/18/1434909018.db2.gz SADUJQIRFVWJLL-QAPCUYQASA-N 1 1 383.448 3.426 20 5 GGBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000272571788 1434909028 /nfs/dbraw/zinc/90/90/28/1434909028.db2.gz SADUJQIRFVWJLL-MAUKXSAKSA-N 1 1 383.448 3.426 20 5 GGBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000272571788 1434909029 /nfs/dbraw/zinc/90/90/29/1434909029.db2.gz SADUJQIRFVWJLL-MAUKXSAKSA-N 1 1 383.448 3.426 20 5 GGBDMO Cn1ccnc1[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272575035 1434909697 /nfs/dbraw/zinc/90/96/97/1434909697.db2.gz WXTBKAICAVWYNQ-FPOVZHCZSA-N 1 1 391.475 3.282 20 5 GGBDMO COc1ccc(OCCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272578041 1434909883 /nfs/dbraw/zinc/90/98/83/1434909883.db2.gz XMWYQBWJZUGQFK-FQEVSTJZSA-N 1 1 396.447 3.485 20 5 GGBDMO COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272871381 1434937653 /nfs/dbraw/zinc/93/76/53/1434937653.db2.gz WRAHLDFEAPHJRY-GOEBONIOSA-N 1 1 390.484 3.056 20 5 GGBDMO CCOc1cc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OCC ZINC000273060368 1434956144 /nfs/dbraw/zinc/95/61/44/1434956144.db2.gz YJLPYUFQGKPDRS-CYBMUJFWSA-N 1 1 392.456 3.164 20 5 GGBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ncccc12 ZINC000273066074 1434956794 /nfs/dbraw/zinc/95/67/94/1434956794.db2.gz DUVSIMJUCNNEQQ-KRWDZBQOSA-N 1 1 378.432 3.322 20 5 GGBDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273248011 1434975432 /nfs/dbraw/zinc/97/54/32/1434975432.db2.gz YAIKPJKIENGPNP-BEFAXECRSA-N 1 1 396.447 3.058 20 5 GGBDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273248011 1434975433 /nfs/dbraw/zinc/97/54/33/1434975433.db2.gz YAIKPJKIENGPNP-BEFAXECRSA-N 1 1 396.447 3.058 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000273300017 1434979271 /nfs/dbraw/zinc/97/92/71/1434979271.db2.gz GYKJTXFHWQUZHE-INIZCTEOSA-N 1 1 394.431 3.000 20 5 GGBDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000274273535 1435056734 /nfs/dbraw/zinc/05/67/34/1435056734.db2.gz BJSLMAGVGZKCOK-AWEZNQCLSA-N 1 1 378.425 3.015 20 5 GGBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000274273535 1435056736 /nfs/dbraw/zinc/05/67/36/1435056736.db2.gz BJSLMAGVGZKCOK-AWEZNQCLSA-N 1 1 378.425 3.015 20 5 GGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCN1CCN(C)CC1 ZINC000274677724 1435084840 /nfs/dbraw/zinc/08/48/40/1435084840.db2.gz ZKWDXXOSXGRCJC-IRXDYDNUSA-N 1 1 380.558 3.081 20 5 GGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCN1CCN(C)CC1 ZINC000274677716 1435084843 /nfs/dbraw/zinc/08/48/43/1435084843.db2.gz ZKWDXXOSXGRCJC-DLBZAZTESA-N 1 1 380.558 3.081 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000275189002 1435121480 /nfs/dbraw/zinc/12/14/80/1435121480.db2.gz AIKYZRQKVCULIP-CTNGQTDRSA-N 1 1 380.448 3.305 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNc3c4c(ccc3[N+](=O)[O-])NCC4)CC2)oc1C ZINC000275381139 1435135201 /nfs/dbraw/zinc/13/52/01/1435135201.db2.gz PEBDYKHZOZUVIT-UHFFFAOYSA-N 1 1 385.468 3.492 20 5 GGBDMO Cc1nc2sccn2c1C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275626617 1435153872 /nfs/dbraw/zinc/15/38/72/1435153872.db2.gz PJPTVKITLGQHCK-UHFFFAOYSA-N 1 1 391.428 3.212 20 5 GGBDMO O=C(NC1CCCCC1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276293585 1435202921 /nfs/dbraw/zinc/20/29/21/1435202921.db2.gz IKHLMDJNGYXWNI-UHFFFAOYSA-N 1 1 378.448 3.330 20 5 GGBDMO CCOc1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000276898954 1435241267 /nfs/dbraw/zinc/24/12/67/1435241267.db2.gz LIRQQMDDLKQRDB-UHFFFAOYSA-N 1 1 383.448 3.388 20 5 GGBDMO COC(=O)c1cc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c(C)c([N+](=O)[O-])c1 ZINC000277072163 1435258934 /nfs/dbraw/zinc/25/89/34/1435258934.db2.gz BQJYMYRXSABESF-HNNXBMFYSA-N 1 1 392.456 3.028 20 5 GGBDMO COC(=O)c1cc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c(C)c([N+](=O)[O-])c1 ZINC000277072164 1435258961 /nfs/dbraw/zinc/25/89/61/1435258961.db2.gz BQJYMYRXSABESF-OAHLLOKOSA-N 1 1 392.456 3.028 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000277559990 1435313025 /nfs/dbraw/zinc/31/30/25/1435313025.db2.gz JWCJPLAONBIVKM-PKOBYXMFSA-N 1 1 381.432 3.360 20 5 GGBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000278189700 1435367781 /nfs/dbraw/zinc/36/77/81/1435367781.db2.gz HUSYLEPPJOPTGY-SWLSCSKDSA-N 1 1 394.428 3.238 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000278189700 1435367784 /nfs/dbraw/zinc/36/77/84/1435367784.db2.gz HUSYLEPPJOPTGY-SWLSCSKDSA-N 1 1 394.428 3.238 20 5 GGBDMO Cn1cc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278342372 1435381853 /nfs/dbraw/zinc/38/18/53/1435381853.db2.gz HTTLVPRSEUDECH-CXAGYDPISA-N 1 1 398.385 3.131 20 5 GGBDMO CN(C)c1[nH+]cc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])n1C ZINC000278436284 1435390805 /nfs/dbraw/zinc/39/08/05/1435390805.db2.gz JZMZDLBBVUKTKP-UHFFFAOYSA-N 1 1 394.304 3.056 20 5 GGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278473269 1435393532 /nfs/dbraw/zinc/39/35/32/1435393532.db2.gz HQDDPMAQZUZPNW-CHWSQXEVSA-N 1 1 394.428 3.238 20 5 GGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278473269 1435393534 /nfs/dbraw/zinc/39/35/34/1435393534.db2.gz HQDDPMAQZUZPNW-CHWSQXEVSA-N 1 1 394.428 3.238 20 5 GGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278473273 1435393581 /nfs/dbraw/zinc/39/35/81/1435393581.db2.gz HQDDPMAQZUZPNW-OLZOCXBDSA-N 1 1 394.428 3.238 20 5 GGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278473273 1435393584 /nfs/dbraw/zinc/39/35/84/1435393584.db2.gz HQDDPMAQZUZPNW-OLZOCXBDSA-N 1 1 394.428 3.238 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000278523055 1435397153 /nfs/dbraw/zinc/39/71/53/1435397153.db2.gz CTLBFIYRHWQFHM-UHFFFAOYSA-N 1 1 395.419 3.392 20 5 GGBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278535185 1435398128 /nfs/dbraw/zinc/39/81/28/1435398128.db2.gz UMUUNVVTBAPWHA-JTQLQIEISA-N 1 1 382.333 3.422 20 5 GGBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278535186 1435398153 /nfs/dbraw/zinc/39/81/53/1435398153.db2.gz UMUUNVVTBAPWHA-SNVBAGLBSA-N 1 1 382.333 3.422 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000278595903 1435403599 /nfs/dbraw/zinc/40/35/99/1435403599.db2.gz LONOICCMEKDFOA-UHFFFAOYSA-N 1 1 395.419 3.392 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000278744165 1435419408 /nfs/dbraw/zinc/41/94/08/1435419408.db2.gz SPRSQNJOGRVVBD-UHFFFAOYSA-N 1 1 384.436 3.094 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278832000 1435428569 /nfs/dbraw/zinc/42/85/69/1435428569.db2.gz IMLYHEUFFUUBMH-UHFFFAOYSA-N 1 1 397.479 3.254 20 5 GGBDMO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000278856966 1435432023 /nfs/dbraw/zinc/43/20/23/1435432023.db2.gz GCSFIZBDSHAPQP-ONGXEEELSA-N 1 1 391.371 3.161 20 5 GGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278897663 1435437210 /nfs/dbraw/zinc/43/72/10/1435437210.db2.gz OWQHOCGTEGBCSA-OAHLLOKOSA-N 1 1 397.479 3.334 20 5 GGBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2N1 ZINC000278962582 1435446075 /nfs/dbraw/zinc/44/60/75/1435446075.db2.gz YLDNMSLVVDRZBX-UHFFFAOYSA-N 1 1 395.463 3.396 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279144496 1435464912 /nfs/dbraw/zinc/46/49/12/1435464912.db2.gz ZPPFFYKMUOKMDF-UHFFFAOYSA-N 1 1 399.373 3.350 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279409022 1435496120 /nfs/dbraw/zinc/49/61/20/1435496120.db2.gz KHBGHKZRVNKGOE-CQSZACIVSA-N 1 1 386.427 3.053 20 5 GGBDMO Cc1nn(CCC(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000279889529 1435558531 /nfs/dbraw/zinc/55/85/31/1435558531.db2.gz DZKORIOUROPMSB-UHFFFAOYSA-N 1 1 379.848 3.152 20 5 GGBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC2(CCOCC2)O1 ZINC000279925558 1435564510 /nfs/dbraw/zinc/56/45/10/1435564510.db2.gz WMRAKEKPLUXVEK-HNNXBMFYSA-N 1 1 387.436 3.062 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000279998067 1435574527 /nfs/dbraw/zinc/57/45/27/1435574527.db2.gz KXVYOWYZRBBISG-HUUCEWRRSA-N 1 1 375.469 3.376 20 5 GGBDMO Cc1ccc([C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280682400 1435703055 /nfs/dbraw/zinc/70/30/55/1435703055.db2.gz NMWJZAHECCCOGQ-DNVCBOLYSA-N 1 1 376.478 3.476 20 5 GGBDMO Cc1ccc([C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280682402 1435703239 /nfs/dbraw/zinc/70/32/39/1435703239.db2.gz NMWJZAHECCCOGQ-HNAYVOBHSA-N 1 1 376.478 3.476 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c2c(c1)COCO2 ZINC000280716064 1435708583 /nfs/dbraw/zinc/70/85/83/1435708583.db2.gz BTZITNDWSLXJLP-GUDVDZBRSA-N 1 1 376.453 3.367 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000281345306 1435804695 /nfs/dbraw/zinc/80/46/95/1435804695.db2.gz ZKFGLOCJWNTIBH-UHFFFAOYSA-N 1 1 385.420 3.055 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000283303494 1435883599 /nfs/dbraw/zinc/88/35/99/1435883599.db2.gz VZBKTRGQBGJALY-UHFFFAOYSA-N 1 1 390.465 3.469 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000283303494 1435883600 /nfs/dbraw/zinc/88/36/00/1435883600.db2.gz VZBKTRGQBGJALY-UHFFFAOYSA-N 1 1 390.465 3.469 20 5 GGBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283527979 1435894025 /nfs/dbraw/zinc/89/40/25/1435894025.db2.gz NOBFLEPYOWRJHR-HNNXBMFYSA-N 1 1 394.435 3.197 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283890819 1435946286 /nfs/dbraw/zinc/94/62/86/1435946286.db2.gz IUPHKLVLIHQNRF-KBPBESRZSA-N 1 1 378.448 3.043 20 5 GGBDMO COc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000284215917 1436004833 /nfs/dbraw/zinc/00/48/33/1436004833.db2.gz ZTNQYUSMSRZSNU-UHFFFAOYSA-N 1 1 385.464 3.366 20 5 GGBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284223654 1436005301 /nfs/dbraw/zinc/00/53/01/1436005301.db2.gz ZYECBZATOHDJCU-UHFFFAOYSA-N 1 1 384.864 3.070 20 5 GGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000284253148 1436007480 /nfs/dbraw/zinc/00/74/80/1436007480.db2.gz WKCFWGDUTPZTIU-GFCCVEGCSA-N 1 1 386.364 3.310 20 5 GGBDMO Cc1c(NC(=O)CCN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000284672740 1436039149 /nfs/dbraw/zinc/03/91/49/1436039149.db2.gz GKYGLYDTFLSCMY-LJQANCHMSA-N 1 1 396.491 3.091 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCN(C)[C@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000284672740 1436039152 /nfs/dbraw/zinc/03/91/52/1436039152.db2.gz GKYGLYDTFLSCMY-LJQANCHMSA-N 1 1 396.491 3.091 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)[C@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000284672740 1436039157 /nfs/dbraw/zinc/03/91/57/1436039157.db2.gz GKYGLYDTFLSCMY-LJQANCHMSA-N 1 1 396.491 3.091 20 5 GGBDMO CCOc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164631614 719090379 /nfs/dbraw/zinc/09/03/79/719090379.db2.gz YRVBSZSXIAPZAD-IEBWSBKVSA-N 1 1 382.464 3.489 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc1Cl ZINC001164647809 719309495 /nfs/dbraw/zinc/30/94/95/719309495.db2.gz NEBBWEVQBUSJJU-UHFFFAOYSA-N 1 1 392.891 3.353 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])C2 ZINC001164811032 720096294 /nfs/dbraw/zinc/09/62/94/720096294.db2.gz NGDVLZJWGNEEKZ-KXBFYZLASA-N 1 1 394.903 3.136 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164811378 720099212 /nfs/dbraw/zinc/09/92/12/720099212.db2.gz ODJQAXKABPBYLG-XMSQKQJNSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001164812509 720106078 /nfs/dbraw/zinc/10/60/78/720106078.db2.gz OYDIIUBWNXPGFX-HTAPYJJXSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001164807043 720110142 /nfs/dbraw/zinc/11/01/42/720110142.db2.gz ASYXNNCFKYVCSN-VGOFRKELSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001164818531 720154748 /nfs/dbraw/zinc/15/47/48/720154748.db2.gz TVJLVKNWLIZETP-PGRDOPGGSA-N 1 1 396.491 3.328 20 5 GGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2c1 ZINC001164725419 720366292 /nfs/dbraw/zinc/36/62/92/720366292.db2.gz NHXFDWPAWTYJCB-UXHICEINSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c2ccccc21 ZINC001164726978 720374645 /nfs/dbraw/zinc/37/46/45/720374645.db2.gz QAOUONJCMRSQMT-OALUTQOASA-N 1 1 375.432 3.391 20 5 GGBDMO Cc1c(C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164835840 720555514 /nfs/dbraw/zinc/55/55/14/720555514.db2.gz IDSVQKPPUPDTSY-GBESFXJTSA-N 1 1 398.511 3.181 20 5 GGBDMO Cc1c(C)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164835842 720556444 /nfs/dbraw/zinc/55/64/44/720556444.db2.gz IDSVQKPPUPDTSY-IPMKNSEASA-N 1 1 398.511 3.181 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]2C ZINC001164854857 720925292 /nfs/dbraw/zinc/92/52/92/720925292.db2.gz GIFSJTJCVNLQHO-GFCCVEGCSA-N 1 1 378.864 3.261 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3ccc([N+](=O)[O-])cc31)[C@H]2C ZINC001164860449 720953728 /nfs/dbraw/zinc/95/37/28/720953728.db2.gz PUPKRULICZWQSC-AWEZNQCLSA-N 1 1 395.467 3.156 20 5 GGBDMO O=[N+]([O-])c1cccc2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164782172 721407412 /nfs/dbraw/zinc/40/74/12/721407412.db2.gz DYIJORTWCXEABB-GASCZTMLSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1cccc2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164782172 721407414 /nfs/dbraw/zinc/40/74/14/721407414.db2.gz DYIJORTWCXEABB-GASCZTMLSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164784234 721418897 /nfs/dbraw/zinc/41/88/97/721418897.db2.gz KWAWTTPXEOBFRD-GJZGRUSLSA-N 1 1 381.461 3.168 20 5 GGBDMO COc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164793782 721491829 /nfs/dbraw/zinc/49/18/29/721491829.db2.gz VYOUQKAXVBVWFA-UHFFFAOYSA-N 1 1 397.479 3.274 20 5 GGBDMO COc1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c([N+](=O)[O-])c1 ZINC001164792009 721494553 /nfs/dbraw/zinc/49/45/53/721494553.db2.gz JLJAELUSGYXCMQ-UHFFFAOYSA-N 1 1 397.479 3.274 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909258 721539167 /nfs/dbraw/zinc/53/91/67/721539167.db2.gz RAXGBYJLIRLXNW-WMZOPIPTSA-N 1 1 386.427 3.088 20 5 GGBDMO O=[N+]([O-])c1cccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905492 721692159 /nfs/dbraw/zinc/69/21/59/721692159.db2.gz JOWBPULBEIFZCM-GOSISDBHSA-N 1 1 389.406 3.123 20 5 GGBDMO Cc1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ccc1[N+](=O)[O-] ZINC001164907758 721744682 /nfs/dbraw/zinc/74/46/82/721744682.db2.gz AFNVYNSKIODYJH-UHFFFAOYSA-N 1 1 393.447 3.481 20 5 GGBDMO Cc1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ccc1[N+](=O)[O-] ZINC001164907758 721744691 /nfs/dbraw/zinc/74/46/91/721744691.db2.gz AFNVYNSKIODYJH-UHFFFAOYSA-N 1 1 393.447 3.481 20 5 GGBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165023993 721800723 /nfs/dbraw/zinc/80/07/23/721800723.db2.gz KPIIEKGOSAEMLG-FFZOFVMBSA-N 1 1 381.480 3.430 20 5 GGBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165023990 721800785 /nfs/dbraw/zinc/80/07/85/721800785.db2.gz KPIIEKGOSAEMLG-DBVUQKKJSA-N 1 1 381.480 3.430 20 5 GGBDMO Cc1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165025025 721801112 /nfs/dbraw/zinc/80/11/12/721801112.db2.gz NECKKPJDXWRPSA-UHOSZYNNSA-N 1 1 381.480 3.430 20 5 GGBDMO COc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165026313 721805019 /nfs/dbraw/zinc/80/50/19/721805019.db2.gz QORJOLYBMHSSCZ-SZMVWBNQSA-N 1 1 397.479 3.130 20 5 GGBDMO Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165028792 721805498 /nfs/dbraw/zinc/80/54/98/721805498.db2.gz ZSLRFMBQVABGIC-QXAKKESOSA-N 1 1 381.480 3.430 20 5 GGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]21 ZINC001165026902 721808464 /nfs/dbraw/zinc/80/84/64/721808464.db2.gz SDKGJJOZFQGTSR-POZUXBRTSA-N 1 1 385.443 3.261 20 5 GGBDMO COc1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165025219 721810088 /nfs/dbraw/zinc/81/00/88/721810088.db2.gz MARZHHPBAHIPAH-IPELMVKDSA-N 1 1 397.479 3.130 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(N2CC[NH+](CCOc3ccccc3)CC2)nc1Cl ZINC001165045451 721955028 /nfs/dbraw/zinc/95/50/28/721955028.db2.gz UXOLDPHIOFRZLB-UHFFFAOYSA-N 1 1 376.844 3.153 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054229 722010551 /nfs/dbraw/zinc/01/05/51/722010551.db2.gz SQCSVNPHOIGKME-UHFFFAOYSA-N 1 1 382.251 3.056 20 5 GGBDMO CCOc1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164955414 722019806 /nfs/dbraw/zinc/01/98/06/722019806.db2.gz FQCJIXIQUPDJQF-UHFFFAOYSA-N 1 1 397.479 3.276 20 5 GGBDMO COc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164993938 722195907 /nfs/dbraw/zinc/19/59/07/722195907.db2.gz JODRDARAHKHMKD-FQEVSTJZSA-N 1 1 386.427 3.382 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC000822477010 946099433 /nfs/dbraw/zinc/09/94/33/946099433.db2.gz CQEIEHKAIVKJQZ-GFCCVEGCSA-N 1 1 390.407 3.442 20 5 GGBDMO CC(C)(C)C[N@H+](CC(=O)[O-])CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001588655710 960409625 /nfs/dbraw/zinc/40/96/25/960409625.db2.gz JDBFMIVCRSCBHZ-UHFFFAOYSA-N 1 1 391.512 3.282 20 5 GGBDMO CCc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000096007022 211292666 /nfs/dbraw/zinc/29/26/66/211292666.db2.gz VUDCOAOEFRYYNY-HXUWFJFHSA-N 1 1 397.475 3.044 20 5 GGBDMO CCc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000096007025 211292500 /nfs/dbraw/zinc/29/25/00/211292500.db2.gz VUDCOAOEFRYYNY-FQEVSTJZSA-N 1 1 397.475 3.044 20 5 GGBDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116270514 564206436 /nfs/dbraw/zinc/20/64/36/564206436.db2.gz FHFHHLSMOCOOJE-NSHDSACASA-N 1 1 383.857 3.089 20 5 GGBDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116270514 564206441 /nfs/dbraw/zinc/20/64/41/564206441.db2.gz FHFHHLSMOCOOJE-NSHDSACASA-N 1 1 383.857 3.089 20 5 GGBDMO CC[N@@H+]1CCc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000117568232 564229471 /nfs/dbraw/zinc/22/94/71/564229471.db2.gz PWIIBFSCUSSHJJ-UHFFFAOYSA-N 1 1 380.857 3.264 20 5 GGBDMO CC[N@H+]1CCc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000117568232 564229473 /nfs/dbraw/zinc/22/94/73/564229473.db2.gz PWIIBFSCUSSHJJ-UHFFFAOYSA-N 1 1 380.857 3.264 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000118948867 564247880 /nfs/dbraw/zinc/24/78/80/564247880.db2.gz QUWFHVNMOZDDEY-BETUJISGSA-N 1 1 398.301 3.455 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3nc[nH]n3)o2)c(Br)c1 ZINC000119160587 564257237 /nfs/dbraw/zinc/25/72/37/564257237.db2.gz DXQOBZUOEVZHIR-UHFFFAOYSA-N 1 1 392.213 3.068 20 5 GGBDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000030435218 564380602 /nfs/dbraw/zinc/38/06/02/564380602.db2.gz ZRQHETLOAZYAFI-OAHLLOKOSA-N 1 1 383.495 3.018 20 5 GGBDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122546158 564418253 /nfs/dbraw/zinc/41/82/53/564418253.db2.gz BPEDOQYEEVPDQB-LLVKDONJSA-N 1 1 383.857 3.089 20 5 GGBDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122546158 564418257 /nfs/dbraw/zinc/41/82/57/564418257.db2.gz BPEDOQYEEVPDQB-LLVKDONJSA-N 1 1 383.857 3.089 20 5 GGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122633497 564421358 /nfs/dbraw/zinc/42/13/58/564421358.db2.gz YGGMPORXBVGXCW-GFCCVEGCSA-N 1 1 384.274 3.352 20 5 GGBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122951358 564433089 /nfs/dbraw/zinc/43/30/89/564433089.db2.gz SJWZFPYGVXNAPB-UONOGXRCSA-N 1 1 382.258 3.056 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000043771606 564462310 /nfs/dbraw/zinc/46/23/10/564462310.db2.gz XKWAXAGYNHBSSC-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000043771606 564462314 /nfs/dbraw/zinc/46/23/14/564462314.db2.gz XKWAXAGYNHBSSC-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000124857650 564495477 /nfs/dbraw/zinc/49/54/77/564495477.db2.gz AZQXGKUDHYZIIG-HNNXBMFYSA-N 1 1 384.274 3.078 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000124857650 564495480 /nfs/dbraw/zinc/49/54/80/564495480.db2.gz AZQXGKUDHYZIIG-HNNXBMFYSA-N 1 1 384.274 3.078 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000125138916 564504965 /nfs/dbraw/zinc/50/49/65/564504965.db2.gz WZEXFEUANNKLBX-UHFFFAOYSA-N 1 1 395.257 3.381 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000125986945 564533099 /nfs/dbraw/zinc/53/30/99/564533099.db2.gz IFMKNVXAWQGACI-CHWSQXEVSA-N 1 1 398.301 3.136 20 5 GGBDMO COc1cc(C[N@@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000130552116 564686301 /nfs/dbraw/zinc/68/63/01/564686301.db2.gz QEAIFBKXXMSUSY-NSHDSACASA-N 1 1 380.388 3.482 20 5 GGBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000093613479 564887967 /nfs/dbraw/zinc/88/79/67/564887967.db2.gz BXCTXKAXBOGTDD-HZPDHXFCSA-N 1 1 399.285 3.109 20 5 GGBDMO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)cn1 ZINC000093870088 564891799 /nfs/dbraw/zinc/89/17/99/564891799.db2.gz NOPZUTMFAUFPIM-ZDUSSCGKSA-N 1 1 379.258 3.155 20 5 GGBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)cn1 ZINC000093870088 564891803 /nfs/dbraw/zinc/89/18/03/564891803.db2.gz NOPZUTMFAUFPIM-ZDUSSCGKSA-N 1 1 379.258 3.155 20 5 GGBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000150841626 564893297 /nfs/dbraw/zinc/89/32/97/564893297.db2.gz XAZRVJRTIXURIK-UHFFFAOYSA-N 1 1 392.253 3.219 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000153833191 565013444 /nfs/dbraw/zinc/01/34/44/565013444.db2.gz VPAQQRUFKQGDPX-UHFFFAOYSA-N 1 1 381.230 3.025 20 5 GGBDMO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000292688024 565129655 /nfs/dbraw/zinc/12/96/55/565129655.db2.gz BDLVOIGMEOZRLK-CYBMUJFWSA-N 1 1 380.491 3.190 20 5 GGBDMO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000292688024 565129660 /nfs/dbraw/zinc/12/96/60/565129660.db2.gz BDLVOIGMEOZRLK-CYBMUJFWSA-N 1 1 380.491 3.190 20 5 GGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267907452 565133403 /nfs/dbraw/zinc/13/34/03/565133403.db2.gz BQJQPOXDWPYHJQ-SECBINFHSA-N 1 1 399.220 3.067 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000294283469 565206275 /nfs/dbraw/zinc/20/62/75/565206275.db2.gz UWSAZLZCFQQRMU-QGZVFWFLSA-N 1 1 396.285 3.224 20 5 GGBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000372296129 565229979 /nfs/dbraw/zinc/22/99/79/565229979.db2.gz CJFWUYKIZIEOSX-MRXNPFEDSA-N 1 1 390.237 3.274 20 5 GGBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000372296129 565229983 /nfs/dbraw/zinc/22/99/83/565229983.db2.gz CJFWUYKIZIEOSX-MRXNPFEDSA-N 1 1 390.237 3.274 20 5 GGBDMO CC(C)(C[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)C(N)=O ZINC000294837533 565230333 /nfs/dbraw/zinc/23/03/33/565230333.db2.gz QTIZNMJGRGIGTE-ZDUSSCGKSA-N 1 1 398.301 3.471 20 5 GGBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)C(N)=O ZINC000294837533 565230338 /nfs/dbraw/zinc/23/03/38/565230338.db2.gz QTIZNMJGRGIGTE-ZDUSSCGKSA-N 1 1 398.301 3.471 20 5 GGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])sc2C1 ZINC000185965344 565232106 /nfs/dbraw/zinc/23/21/06/565232106.db2.gz QVLIYUSGHMWOMX-UHFFFAOYSA-N 1 1 378.479 3.404 20 5 GGBDMO CC[N@H+]1CCc2nc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])sc2C1 ZINC000185965344 565232112 /nfs/dbraw/zinc/23/21/12/565232112.db2.gz QVLIYUSGHMWOMX-UHFFFAOYSA-N 1 1 378.479 3.404 20 5 GGBDMO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000271207303 565242590 /nfs/dbraw/zinc/24/25/90/565242590.db2.gz WVKIOAVDPCMENR-GFCCVEGCSA-N 1 1 383.242 3.132 20 5 GGBDMO C[N@H+](C[C@H](O)c1ccccc1Br)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295433901 565265543 /nfs/dbraw/zinc/26/55/43/565265543.db2.gz VZTVRDMECBDQDJ-SJORKVTESA-N 1 1 395.253 3.056 20 5 GGBDMO C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272711080 565295927 /nfs/dbraw/zinc/29/59/27/565295927.db2.gz KRXSXOAUFKUGRJ-JTQLQIEISA-N 1 1 383.246 3.129 20 5 GGBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161912095 565297669 /nfs/dbraw/zinc/29/76/69/565297669.db2.gz MLDGEIWFFXQTOP-BXUZGUMPSA-N 1 1 381.274 3.205 20 5 GGBDMO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000171841289 565454165 /nfs/dbraw/zinc/45/41/65/565454165.db2.gz FXDIGAWTNWXYIQ-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000171841289 565454170 /nfs/dbraw/zinc/45/41/70/565454170.db2.gz FXDIGAWTNWXYIQ-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO C[N@@H+](CCNc1ncc(Br)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301708546 565506034 /nfs/dbraw/zinc/50/60/34/565506034.db2.gz WPDBGOXJZASXGX-UHFFFAOYSA-N 1 1 383.221 3.435 20 5 GGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000172831199 565506157 /nfs/dbraw/zinc/50/61/57/565506157.db2.gz ZKNIJXUYIGRCDB-GFCCVEGCSA-N 1 1 384.274 3.304 20 5 GGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000172831205 565506648 /nfs/dbraw/zinc/50/66/48/565506648.db2.gz ZKNIJXUYIGRCDB-LBPRGKRZSA-N 1 1 384.274 3.304 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000301754484 565509044 /nfs/dbraw/zinc/50/90/44/565509044.db2.gz CNUHKMDFPSTPJG-XHDPSFHLSA-N 1 1 381.274 3.205 20 5 GGBDMO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378286161 565520374 /nfs/dbraw/zinc/52/03/74/565520374.db2.gz RXLUNHJMNUDVHV-NEPJUHHUSA-N 1 1 383.246 3.106 20 5 GGBDMO CC(C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000302138667 565532601 /nfs/dbraw/zinc/53/26/01/565532601.db2.gz DTDFBOQIGQUUNT-AWEZNQCLSA-N 1 1 389.543 3.372 20 5 GGBDMO COc1cc(C[N@H+]2CCSC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000190448830 565533374 /nfs/dbraw/zinc/53/33/74/565533374.db2.gz VLRLAQUAQSALKS-NSHDSACASA-N 1 1 376.425 3.432 20 5 GGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000173280553 565543558 /nfs/dbraw/zinc/54/35/58/565543558.db2.gz SHPHEAXBXFOZFI-CYBMUJFWSA-N 1 1 396.285 3.352 20 5 GGBDMO O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743543 565577509 /nfs/dbraw/zinc/57/75/09/565577509.db2.gz STDRWKYEJQYJLR-CYBMUJFWSA-N 1 1 377.242 3.439 20 5 GGBDMO O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309743543 565577512 /nfs/dbraw/zinc/57/75/12/565577512.db2.gz STDRWKYEJQYJLR-CYBMUJFWSA-N 1 1 377.242 3.439 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000408005674 565591142 /nfs/dbraw/zinc/59/11/42/565591142.db2.gz RVCMRUMVTKLNOA-LRDDRELGSA-N 1 1 396.285 3.222 20 5 GGBDMO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000280342343 565666876 /nfs/dbraw/zinc/66/68/76/565666876.db2.gz IKDJOILMAVHXBA-NSHDSACASA-N 1 1 393.241 3.066 20 5 GGBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000175017698 565673541 /nfs/dbraw/zinc/67/35/41/565673541.db2.gz PSCSGWZJINIEBC-WCQYABFASA-N 1 1 382.258 3.056 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000280526904 565677994 /nfs/dbraw/zinc/67/79/94/565677994.db2.gz OQPCTMPVHHKCSF-NSHDSACASA-N 1 1 393.241 3.350 20 5 GGBDMO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000175409607 565698850 /nfs/dbraw/zinc/69/88/50/565698850.db2.gz HGWHBNKNURUFIS-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000175409607 565698854 /nfs/dbraw/zinc/69/88/54/565698854.db2.gz HGWHBNKNURUFIS-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000330482307 565709095 /nfs/dbraw/zinc/70/90/95/565709095.db2.gz RDZMPVZQFFNNKU-HNNXBMFYSA-N 1 1 384.274 3.078 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000330482307 565709098 /nfs/dbraw/zinc/70/90/98/565709098.db2.gz RDZMPVZQFFNNKU-HNNXBMFYSA-N 1 1 384.274 3.078 20 5 GGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176020283 565740819 /nfs/dbraw/zinc/74/08/19/565740819.db2.gz YMUUVTIJGNHFIC-CQSZACIVSA-N 1 1 396.285 3.352 20 5 GGBDMO C[N@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315960 565744608 /nfs/dbraw/zinc/74/46/08/565744608.db2.gz AVGLDTOHPZQHCB-HNNXBMFYSA-N 1 1 395.253 3.229 20 5 GGBDMO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000176199977 565757343 /nfs/dbraw/zinc/75/73/43/565757343.db2.gz IXXKBQPGVUDGBD-UHFFFAOYSA-N 1 1 386.239 3.059 20 5 GGBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000176199977 565757348 /nfs/dbraw/zinc/75/73/48/565757348.db2.gz IXXKBQPGVUDGBD-UHFFFAOYSA-N 1 1 386.239 3.059 20 5 GGBDMO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176224715 565758199 /nfs/dbraw/zinc/75/81/99/565758199.db2.gz VDBFBQSMNARMBA-AWEZNQCLSA-N 1 1 395.257 3.400 20 5 GGBDMO COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176224715 565758204 /nfs/dbraw/zinc/75/82/04/565758204.db2.gz VDBFBQSMNARMBA-AWEZNQCLSA-N 1 1 395.257 3.400 20 5 GGBDMO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176224726 565758447 /nfs/dbraw/zinc/75/84/47/565758447.db2.gz VDBFBQSMNARMBA-CQSZACIVSA-N 1 1 395.257 3.400 20 5 GGBDMO COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176224726 565758453 /nfs/dbraw/zinc/75/84/53/565758453.db2.gz VDBFBQSMNARMBA-CQSZACIVSA-N 1 1 395.257 3.400 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000331530312 565765455 /nfs/dbraw/zinc/76/54/55/565765455.db2.gz PEJOPCBVNCJXAL-GXSJLCMTSA-N 1 1 382.258 3.021 20 5 GGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000331827319 565787246 /nfs/dbraw/zinc/78/72/46/565787246.db2.gz JCLPJKQNLMPBCK-ZJUUUORDSA-N 1 1 388.287 3.118 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332308274 565828350 /nfs/dbraw/zinc/82/83/50/565828350.db2.gz MATLBPRZWLVUOF-CABCVRRESA-N 1 1 382.258 3.022 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177345162 565844438 /nfs/dbraw/zinc/84/44/38/565844438.db2.gz RZHOCXSEFAXHRV-UHFFFAOYSA-N 1 1 381.230 3.072 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000284226906 565846428 /nfs/dbraw/zinc/84/64/28/565846428.db2.gz DQWIDEFKGLEWFB-MEBBXXQBSA-N 1 1 384.274 3.078 20 5 GGBDMO Cc1c(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000332608406 565847476 /nfs/dbraw/zinc/84/74/76/565847476.db2.gz FJJZEEOKRCRUAP-GWCFXTLKSA-N 1 1 397.273 3.366 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000284491234 565856536 /nfs/dbraw/zinc/85/65/36/565856536.db2.gz YMVOKAARNUDHIK-CYBMUJFWSA-N 1 1 398.301 3.470 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000179314857 565972851 /nfs/dbraw/zinc/97/28/51/565972851.db2.gz HXSDGUAXMGRYNU-UHFFFAOYSA-N 1 1 392.253 3.184 20 5 GGBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000179580839 565989885 /nfs/dbraw/zinc/98/98/85/565989885.db2.gz OEBIQNDTIPITFM-AWEZNQCLSA-N 1 1 394.225 3.067 20 5 GGBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000179580839 565989894 /nfs/dbraw/zinc/98/98/94/565989894.db2.gz OEBIQNDTIPITFM-AWEZNQCLSA-N 1 1 394.225 3.067 20 5 GGBDMO Cc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245501508 565992983 /nfs/dbraw/zinc/99/29/83/565992983.db2.gz AUYCAPKSURGLPF-QMTHXVAHSA-N 1 1 384.274 3.078 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000363934642 566026879 /nfs/dbraw/zinc/02/68/79/566026879.db2.gz VTNXNWGYURCJJV-UHFFFAOYSA-N 1 1 396.285 3.366 20 5 GGBDMO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000181027784 566107373 /nfs/dbraw/zinc/10/73/73/566107373.db2.gz POBHJRGFPNPVIS-LLVKDONJSA-N 1 1 383.857 3.007 20 5 GGBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000289567542 566129027 /nfs/dbraw/zinc/12/90/27/566129027.db2.gz ROBZXHSSCXSDNI-ZDUSSCGKSA-N 1 1 398.204 3.090 20 5 GGBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000289567542 566129033 /nfs/dbraw/zinc/12/90/33/566129033.db2.gz ROBZXHSSCXSDNI-ZDUSSCGKSA-N 1 1 398.204 3.090 20 5 GGBDMO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289924215 566148400 /nfs/dbraw/zinc/14/84/00/566148400.db2.gz OTWKFJYSSAFNIS-CQSZACIVSA-N 1 1 395.283 3.136 20 5 GGBDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289924215 566148402 /nfs/dbraw/zinc/14/84/02/566148402.db2.gz OTWKFJYSSAFNIS-CQSZACIVSA-N 1 1 395.283 3.136 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000366621922 566162480 /nfs/dbraw/zinc/16/24/80/566162480.db2.gz ZYKYDBVBGVLSEV-SECBINFHSA-N 1 1 375.376 3.183 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000366621922 566162483 /nfs/dbraw/zinc/16/24/83/566162483.db2.gz ZYKYDBVBGVLSEV-SECBINFHSA-N 1 1 375.376 3.183 20 5 GGBDMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000181922914 566173378 /nfs/dbraw/zinc/17/33/78/566173378.db2.gz NHTNUULFGZMVPV-LLVKDONJSA-N 1 1 383.857 3.007 20 5 GGBDMO CC[C@](C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000182193665 566189322 /nfs/dbraw/zinc/18/93/22/566189322.db2.gz YQRWKCGJZBJOSA-INIZCTEOSA-N 1 1 383.495 3.048 20 5 GGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182287385 566195318 /nfs/dbraw/zinc/19/53/18/566195318.db2.gz RKYPQRCMDDAZEY-LLVKDONJSA-N 1 1 382.873 3.298 20 5 GGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182287367 566195749 /nfs/dbraw/zinc/19/57/49/566195749.db2.gz RKYPQRCMDDAZEY-NSHDSACASA-N 1 1 382.873 3.298 20 5 GGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000183158969 566239744 /nfs/dbraw/zinc/23/97/44/566239744.db2.gz BDOJAFRRZWKKPJ-OCCSQVGLSA-N 1 1 383.901 3.283 20 5 GGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000183528976 566248477 /nfs/dbraw/zinc/24/84/77/566248477.db2.gz ONJHAWZLBBKTMA-CYBMUJFWSA-N 1 1 385.917 3.434 20 5 GGBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000444768232 566252232 /nfs/dbraw/zinc/25/22/32/566252232.db2.gz STZXXBNFWJMWFT-QMMMGPOBSA-N 1 1 384.255 3.369 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)n1 ZINC000599526490 566271544 /nfs/dbraw/zinc/27/15/44/566271544.db2.gz MZKJAFGATPQLFM-AWEZNQCLSA-N 1 1 397.298 3.420 20 5 GGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599620076 566280511 /nfs/dbraw/zinc/28/05/11/566280511.db2.gz ZSWWZDMYHPFSKG-ZDUSSCGKSA-N 1 1 396.285 3.161 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599709694 566290357 /nfs/dbraw/zinc/29/03/57/566290357.db2.gz VMUFMRDQEPYTSV-CYBMUJFWSA-N 1 1 398.301 3.455 20 5 GGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599849690 566299872 /nfs/dbraw/zinc/29/98/72/566299872.db2.gz KVAQFAWPJROLDG-CYBMUJFWSA-N 1 1 384.274 3.208 20 5 GGBDMO Cc1[nH+]ccn1CCCNc1ccc(I)cc1[N+](=O)[O-] ZINC000509428269 566303052 /nfs/dbraw/zinc/30/30/52/566303052.db2.gz DPRHLLUPTVEJAQ-UHFFFAOYSA-N 1 1 386.193 3.207 20 5 GGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600102501 566314281 /nfs/dbraw/zinc/31/42/81/566314281.db2.gz MNOMBMCEIQUCPD-GFCCVEGCSA-N 1 1 396.285 3.494 20 5 GGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000600085401 566314421 /nfs/dbraw/zinc/31/44/21/566314421.db2.gz LGNUKNJQMJOGAR-STQMWFEESA-N 1 1 382.258 3.104 20 5 GGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000600085400 566314561 /nfs/dbraw/zinc/31/45/61/566314561.db2.gz LGNUKNJQMJOGAR-QWHCGFSZSA-N 1 1 382.258 3.104 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000509632387 566322198 /nfs/dbraw/zinc/32/21/98/566322198.db2.gz GUDQKLXWKPFPNF-UONOGXRCSA-N 1 1 382.258 3.022 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2Cc2ccccc2Br)c1 ZINC000420959354 566330560 /nfs/dbraw/zinc/33/05/60/566330560.db2.gz FHSGRXFGGPARBA-AWEZNQCLSA-N 1 1 379.258 3.261 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446259207 566338153 /nfs/dbraw/zinc/33/81/53/566338153.db2.gz UILDOIAFCUNPCD-ZDUSSCGKSA-N 1 1 398.301 3.090 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CCC[N@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000509851562 566342520 /nfs/dbraw/zinc/34/25/20/566342520.db2.gz ILWNZAOMFCEMIR-UHFFFAOYSA-N 1 1 384.274 3.222 20 5 GGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000536080732 566350370 /nfs/dbraw/zinc/35/03/70/566350370.db2.gz VADLSPSRVBLWAU-INIZCTEOSA-N 1 1 390.237 3.274 20 5 GGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000536080732 566350373 /nfs/dbraw/zinc/35/03/73/566350373.db2.gz VADLSPSRVBLWAU-INIZCTEOSA-N 1 1 390.237 3.274 20 5 GGBDMO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1cccc(Br)c1 ZINC000447090561 566385634 /nfs/dbraw/zinc/38/56/34/566385634.db2.gz YQKRMEKPOPJHRP-ZDUSSCGKSA-N 1 1 396.266 3.314 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000510479887 566386020 /nfs/dbraw/zinc/38/60/20/566386020.db2.gz QOTRLVWZQSMGDL-CYBMUJFWSA-N 1 1 396.285 3.412 20 5 GGBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@H+](C2CCC2)C1 ZINC000557836868 566426445 /nfs/dbraw/zinc/42/64/45/566426445.db2.gz CMQZNKKXYDYBFQ-GFCCVEGCSA-N 1 1 396.285 3.304 20 5 GGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)C1 ZINC000558027659 566442759 /nfs/dbraw/zinc/44/27/59/566442759.db2.gz RPZBPBMUCDZYDT-MKBNYLNASA-N 1 1 396.285 3.160 20 5 GGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)C1 ZINC000558027658 566442796 /nfs/dbraw/zinc/44/27/96/566442796.db2.gz RPZBPBMUCDZYDT-HWWQOWPSSA-N 1 1 396.285 3.160 20 5 GGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558028023 566443408 /nfs/dbraw/zinc/44/34/08/566443408.db2.gz ZQRQVKRHHWVODI-OZVIIMIRSA-N 1 1 396.285 3.160 20 5 GGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)C1 ZINC000558027661 566443447 /nfs/dbraw/zinc/44/34/47/566443447.db2.gz RPZBPBMUCDZYDT-OZVIIMIRSA-N 1 1 396.285 3.160 20 5 GGBDMO COC[C@@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000558457546 566474934 /nfs/dbraw/zinc/47/49/34/566474934.db2.gz USCPMZHDQDXLQM-LLVKDONJSA-N 1 1 390.221 3.058 20 5 GGBDMO COC[C@@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000558457546 566474941 /nfs/dbraw/zinc/47/49/41/566474941.db2.gz USCPMZHDQDXLQM-LLVKDONJSA-N 1 1 390.221 3.058 20 5 GGBDMO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)NCc1ccccc1 ZINC000602525979 566475777 /nfs/dbraw/zinc/47/57/77/566475777.db2.gz NKWZNSVFACOXIH-JTQLQIEISA-N 1 1 398.282 3.213 20 5 GGBDMO CC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H](O)C(F)(F)F ZINC000602582833 566480231 /nfs/dbraw/zinc/48/02/31/566480231.db2.gz XXSWYDAQBMHWIX-JGVFFNPUSA-N 1 1 377.182 3.210 20 5 GGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn2cc(Br)cnc12 ZINC000602649435 566483565 /nfs/dbraw/zinc/48/35/65/566483565.db2.gz HXNLOVNSSPFLCZ-UHFFFAOYSA-N 1 1 390.241 3.075 20 5 GGBDMO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602689096 566487086 /nfs/dbraw/zinc/48/70/86/566487086.db2.gz VXPMDFAJVLABLG-VIFPVBQESA-N 1 1 399.270 3.239 20 5 GGBDMO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(C)C ZINC000602678509 566488264 /nfs/dbraw/zinc/48/82/64/566488264.db2.gz DKTSCEMMNXFPAB-NSHDSACASA-N 1 1 378.292 3.011 20 5 GGBDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000538098823 566491980 /nfs/dbraw/zinc/49/19/80/566491980.db2.gz LGJDCZVRRKUWFF-OCCSQVGLSA-N 1 1 391.269 3.422 20 5 GGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000538098823 566491986 /nfs/dbraw/zinc/49/19/86/566491986.db2.gz LGJDCZVRRKUWFF-OCCSQVGLSA-N 1 1 391.269 3.422 20 5 GGBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000603864647 566544409 /nfs/dbraw/zinc/54/44/09/566544409.db2.gz GKFAQIIHZVDCBR-QWHCGFSZSA-N 1 1 391.269 3.366 20 5 GGBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000559553080 566557713 /nfs/dbraw/zinc/55/77/13/566557713.db2.gz YTPJRBGKCHWEOP-GFCCVEGCSA-N 1 1 384.274 3.127 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449446195 566561967 /nfs/dbraw/zinc/56/19/67/566561967.db2.gz ORCMTRPPOIJATP-LLVKDONJSA-N 1 1 380.388 3.482 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(I)c1 ZINC000560050271 566591877 /nfs/dbraw/zinc/59/18/77/566591877.db2.gz HGTKDJGVWJFNJJ-UHFFFAOYSA-N 1 1 398.200 3.498 20 5 GGBDMO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425408594 566639635 /nfs/dbraw/zinc/63/96/35/566639635.db2.gz STBRFZIWWIFMBD-GFCCVEGCSA-N 1 1 379.258 3.470 20 5 GGBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425408594 566639638 /nfs/dbraw/zinc/63/96/38/566639638.db2.gz STBRFZIWWIFMBD-GFCCVEGCSA-N 1 1 379.258 3.470 20 5 GGBDMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425411507 566640439 /nfs/dbraw/zinc/64/04/39/566640439.db2.gz YEEHKXYMEIHYCQ-CQSZACIVSA-N 1 1 396.285 3.096 20 5 GGBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425411507 566640444 /nfs/dbraw/zinc/64/04/44/566640444.db2.gz YEEHKXYMEIHYCQ-CQSZACIVSA-N 1 1 396.285 3.096 20 5 GGBDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425456985 566645275 /nfs/dbraw/zinc/64/52/75/566645275.db2.gz KEUVKHIKGFITMQ-UHFFFAOYSA-N 1 1 384.274 3.236 20 5 GGBDMO O=[N+]([O-])c1ccc(O)cc1CN[C@@H](CCO)c1ccccc1Br ZINC000561033240 566670646 /nfs/dbraw/zinc/67/06/46/566670646.db2.gz KGYQTJUBFMBCAX-HNNXBMFYSA-N 1 1 381.226 3.276 20 5 GGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000468476746 566704416 /nfs/dbraw/zinc/70/44/16/566704416.db2.gz XAKIPQFPJRUGNV-CQSZACIVSA-N 1 1 384.274 3.208 20 5 GGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000561436333 566705021 /nfs/dbraw/zinc/70/50/21/566705021.db2.gz BPHZFFAPHGRBGS-UHFFFAOYSA-N 1 1 383.246 3.304 20 5 GGBDMO CCN1CC[NH+](CC(C)(C)Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000450924184 566722550 /nfs/dbraw/zinc/72/25/50/566722550.db2.gz SYRNRXUEGVRWOP-UHFFFAOYSA-N 1 1 385.306 3.185 20 5 GGBDMO Cc1c(Br)c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000488718523 566742608 /nfs/dbraw/zinc/74/26/08/566742608.db2.gz UYJUGJYTSOSWQE-NQBHXWOUSA-N 1 1 383.290 3.227 20 5 GGBDMO Cc1c(Br)c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000488718521 566743266 /nfs/dbraw/zinc/74/32/66/566743266.db2.gz UYJUGJYTSOSWQE-DMDPSCGWSA-N 1 1 383.290 3.227 20 5 GGBDMO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000562002623 566755995 /nfs/dbraw/zinc/75/59/95/566755995.db2.gz IHYGRXCDHHHHKX-LLVKDONJSA-N 1 1 396.296 3.006 20 5 GGBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000562002623 566756003 /nfs/dbraw/zinc/75/60/03/566756003.db2.gz IHYGRXCDHHHHKX-LLVKDONJSA-N 1 1 396.296 3.006 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000609464340 566764874 /nfs/dbraw/zinc/76/48/74/566764874.db2.gz WZZLPJPBCPZLKY-UHFFFAOYSA-N 1 1 395.257 3.400 20 5 GGBDMO O=[N+]([O-])c1cc(I)ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000609560690 566769788 /nfs/dbraw/zinc/76/97/88/566769788.db2.gz QKYSUJFQRKSVAY-UHFFFAOYSA-N 1 1 398.204 3.307 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCCC[C@H]1C ZINC000610040520 566800535 /nfs/dbraw/zinc/80/05/35/566800535.db2.gz ZAEVKFOTNGTSGQ-NEPJUHHUSA-N 1 1 384.274 3.350 20 5 GGBDMO Cc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)CC2)c1 ZINC000542507368 566807538 /nfs/dbraw/zinc/80/75/38/566807538.db2.gz OWGYJQZPOIYUEO-UHFFFAOYSA-N 1 1 392.257 3.091 20 5 GGBDMO CO[C@@H](C)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000610134148 566808875 /nfs/dbraw/zinc/80/88/75/566808875.db2.gz OEMGTOPPZVQIIS-NSHDSACASA-N 1 1 388.262 3.041 20 5 GGBDMO O=[N+]([O-])c1cc(Br)ccc1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000610489197 566837205 /nfs/dbraw/zinc/83/72/05/566837205.db2.gz LWEFVNPUCAYSNH-AWEZNQCLSA-N 1 1 384.274 3.048 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451569106 566842301 /nfs/dbraw/zinc/84/23/01/566842301.db2.gz NQNCNJZFGMVFPD-CQSZACIVSA-N 1 1 392.253 3.009 20 5 GGBDMO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000517767988 566845417 /nfs/dbraw/zinc/84/54/17/566845417.db2.gz CCWJGLPWKWSARW-UHFFFAOYSA-N 1 1 384.255 3.456 20 5 GGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000470172515 566854469 /nfs/dbraw/zinc/85/44/69/566854469.db2.gz XYGOOZVDXJHSLJ-AWEZNQCLSA-N 1 1 382.258 3.104 20 5 GGBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000470303277 566861716 /nfs/dbraw/zinc/86/17/16/566861716.db2.gz MMWTXMKNHHNQDX-UHFFFAOYSA-N 1 1 384.274 3.209 20 5 GGBDMO CC1(C)CCC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000470306129 566862185 /nfs/dbraw/zinc/86/21/85/566862185.db2.gz DVJPXOCKFCXYBN-UHFFFAOYSA-N 1 1 398.301 3.138 20 5 GGBDMO CC(C)([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC000429240297 566916153 /nfs/dbraw/zinc/91/61/53/566916153.db2.gz SSWZOYKXZICAHJ-UHFFFAOYSA-N 1 1 393.241 3.216 20 5 GGBDMO CC[N@@H+](CCNc1ncc(Br)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491832376 566917685 /nfs/dbraw/zinc/91/76/85/566917685.db2.gz PYZCTFITNLLQGL-UHFFFAOYSA-N 1 1 385.184 3.439 20 5 GGBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000563916288 566928261 /nfs/dbraw/zinc/92/82/61/566928261.db2.gz LWTHNHKUEQFRQG-AWEZNQCLSA-N 1 1 384.274 3.304 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000429954388 566969158 /nfs/dbraw/zinc/96/91/58/566969158.db2.gz VJPQURYZHWQXDP-RYUDHWBXSA-N 1 1 384.274 3.350 20 5 GGBDMO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000429954389 566969891 /nfs/dbraw/zinc/96/98/91/566969891.db2.gz VJPQURYZHWQXDP-VXGBXAGGSA-N 1 1 384.274 3.350 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000544598574 566971225 /nfs/dbraw/zinc/97/12/25/566971225.db2.gz COHNFDFCRDZDMB-UHFFFAOYSA-N 1 1 389.260 3.465 20 5 GGBDMO Cc1c(Br)c(=O)n(CC[N@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000612999292 567009196 /nfs/dbraw/zinc/00/91/96/567009196.db2.gz QSESFJIYDSBMMN-UHFFFAOYSA-N 1 1 398.232 3.099 20 5 GGBDMO Cc1cccnc1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584343840 567035243 /nfs/dbraw/zinc/03/52/43/567035243.db2.gz OSYHTNKNRIRFPT-UHFFFAOYSA-N 1 1 383.189 3.193 20 5 GGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431507082 567086531 /nfs/dbraw/zinc/08/65/31/567086531.db2.gz RDQVTKSHPRKCER-HNNXBMFYSA-N 1 1 396.285 3.352 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431502853 567086642 /nfs/dbraw/zinc/08/66/42/567086642.db2.gz SLOWSKQIEVNGDT-GFCCVEGCSA-N 1 1 384.274 3.352 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000431768419 567107187 /nfs/dbraw/zinc/10/71/87/567107187.db2.gz KNCCJHPTEANMRV-NEPJUHHUSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000431768421 567107832 /nfs/dbraw/zinc/10/78/32/567107832.db2.gz KNCCJHPTEANMRV-RYUDHWBXSA-N 1 1 384.274 3.208 20 5 GGBDMO CCc1cccc(Cl)c1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474017304 567126461 /nfs/dbraw/zinc/12/64/61/567126461.db2.gz QRBLVSAAXTYKQW-UHFFFAOYSA-N 1 1 382.869 3.374 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC=C(c3cccc(Br)c3)CC2)n1 ZINC000546589514 567141354 /nfs/dbraw/zinc/14/13/54/567141354.db2.gz XMWGHZRZNADTHZ-UHFFFAOYSA-N 1 1 377.242 3.343 20 5 GGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000523531587 567160961 /nfs/dbraw/zinc/16/09/61/567160961.db2.gz MDARKYQUVMBSCT-UHFFFAOYSA-N 1 1 384.274 3.304 20 5 GGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498550688 567185965 /nfs/dbraw/zinc/18/59/65/567185965.db2.gz QSUOGXCFBJJIRI-WDEREUQCSA-N 1 1 384.274 3.220 20 5 GGBDMO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000547284639 567196934 /nfs/dbraw/zinc/19/69/34/567196934.db2.gz HYGWKDVFVIFVAT-UHFFFAOYSA-N 1 1 386.857 3.421 20 5 GGBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000590536882 567230666 /nfs/dbraw/zinc/23/06/66/567230666.db2.gz CMTMBWAIPWVGHX-GFCCVEGCSA-N 1 1 384.274 3.222 20 5 GGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000525396702 567246852 /nfs/dbraw/zinc/24/68/52/567246852.db2.gz XHYPZTBAACORCF-RYUDHWBXSA-N 1 1 384.274 3.302 20 5 GGBDMO NC(=O)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000475431857 567248358 /nfs/dbraw/zinc/24/83/58/567248358.db2.gz PNPSIVLYIAFYDD-HQQUCIOCSA-N 1 1 390.237 3.187 20 5 GGBDMO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000500098934 567299229 /nfs/dbraw/zinc/29/92/29/567299229.db2.gz YNCBYJZXEWPVRE-UHFFFAOYSA-N 1 1 378.226 3.394 20 5 GGBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000591840791 567300037 /nfs/dbraw/zinc/30/00/37/567300037.db2.gz PZRIWPPTYNKAGS-MRXNPFEDSA-N 1 1 398.301 3.044 20 5 GGBDMO Cc1c(NC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435326248 567356518 /nfs/dbraw/zinc/35/65/18/567356518.db2.gz CEHFQVFDMCUOCO-PWSUYJOCSA-N 1 1 385.262 3.270 20 5 GGBDMO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435379671 567357364 /nfs/dbraw/zinc/35/73/64/567357364.db2.gz JWTWGFARJIQVIT-NSHDSACASA-N 1 1 380.242 3.398 20 5 GGBDMO C[N@@H+](CCOCC1CC1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568935085 567367956 /nfs/dbraw/zinc/36/79/56/567367956.db2.gz GHUAZARWVCGHEV-UHFFFAOYSA-N 1 1 390.221 3.058 20 5 GGBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000435592225 567377317 /nfs/dbraw/zinc/37/73/17/567377317.db2.gz JWLATCUSDJPYIA-ZDUSSCGKSA-N 1 1 387.527 3.269 20 5 GGBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2C2CCCCC2)s1 ZINC000435592225 567377321 /nfs/dbraw/zinc/37/73/21/567377321.db2.gz JWLATCUSDJPYIA-ZDUSSCGKSA-N 1 1 387.527 3.269 20 5 GGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000501429281 567388731 /nfs/dbraw/zinc/38/87/31/567388731.db2.gz XINWOTHXSNKVPH-KRWDZBQOSA-N 1 1 395.253 3.402 20 5 GGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000550711537 567458636 /nfs/dbraw/zinc/45/86/36/567458636.db2.gz YOARTZFRGNIRRX-NSHDSACASA-N 1 1 383.857 3.055 20 5 GGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000594195749 567464393 /nfs/dbraw/zinc/46/43/93/567464393.db2.gz ISTVZVQQRCFKDQ-GJZGRUSLSA-N 1 1 382.258 3.104 20 5 GGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594196665 567464928 /nfs/dbraw/zinc/46/49/28/567464928.db2.gz LJZOOVOYOFYKMX-UONOGXRCSA-N 1 1 383.901 3.473 20 5 GGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000594195751 567465017 /nfs/dbraw/zinc/46/50/17/567465017.db2.gz ISTVZVQQRCFKDQ-LSDHHAIUSA-N 1 1 382.258 3.104 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594199437 567465281 /nfs/dbraw/zinc/46/52/81/567465281.db2.gz ZKSKLDRTZMLXRT-CVEARBPZSA-N 1 1 396.285 3.033 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594198079 567465330 /nfs/dbraw/zinc/46/53/30/567465330.db2.gz RITLCQDSGSSYAW-HOTGVXAUSA-N 1 1 396.285 3.412 20 5 GGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1sc(Br)cc1[N+](=O)[O-] ZINC000594195783 567465521 /nfs/dbraw/zinc/46/55/21/567465521.db2.gz JEHQNAHIHQTDME-UWVGGRQHSA-N 1 1 388.287 3.166 20 5 GGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594196076 567465582 /nfs/dbraw/zinc/46/55/82/567465582.db2.gz KPGRPXRUPKUQDF-ZIAGYGMSSA-N 1 1 382.258 3.104 20 5 GGBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000479068252 567501140 /nfs/dbraw/zinc/50/11/40/567501140.db2.gz YOJACTHGSQJSBI-SNVBAGLBSA-N 1 1 379.214 3.042 20 5 GGBDMO O=[N+]([O-])c1cccc(Br)c1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000596074611 567606538 /nfs/dbraw/zinc/60/65/38/567606538.db2.gz IDMRJQJLKXCKPI-ZDUSSCGKSA-N 1 1 384.274 3.048 20 5 GGBDMO O=[N+]([O-])c1cccc(Br)c1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000596074611 567606548 /nfs/dbraw/zinc/60/65/48/567606548.db2.gz IDMRJQJLKXCKPI-ZDUSSCGKSA-N 1 1 384.274 3.048 20 5 GGBDMO O=[N+]([O-])c1cccc(Br)c1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000596074610 567607000 /nfs/dbraw/zinc/60/70/00/567607000.db2.gz IDMRJQJLKXCKPI-CYBMUJFWSA-N 1 1 384.274 3.048 20 5 GGBDMO O=[N+]([O-])c1cccc(Br)c1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000596074610 567607005 /nfs/dbraw/zinc/60/70/05/567607005.db2.gz IDMRJQJLKXCKPI-CYBMUJFWSA-N 1 1 384.274 3.048 20 5 GGBDMO Cc1c(Br)c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000596569712 567641396 /nfs/dbraw/zinc/64/13/96/567641396.db2.gz CUJDUVDCCPFXGI-ZDUSSCGKSA-N 1 1 383.290 3.017 20 5 GGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128687 567710985 /nfs/dbraw/zinc/71/09/85/567710985.db2.gz QFZDRTPXSUIFFU-YWPYICTPSA-N 1 1 396.285 3.160 20 5 GGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000597860487 567721425 /nfs/dbraw/zinc/72/14/25/567721425.db2.gz NBZKEVGUJRGOLY-LLVKDONJSA-N 1 1 384.274 3.208 20 5 GGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1Br ZINC000554846836 567752836 /nfs/dbraw/zinc/75/28/36/567752836.db2.gz JWZCNGRLWMGEMX-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1Br ZINC000554846836 567752839 /nfs/dbraw/zinc/75/28/39/567752839.db2.gz JWZCNGRLWMGEMX-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000533220619 567759327 /nfs/dbraw/zinc/75/93/27/567759327.db2.gz QIGPRYWJRQWWLU-UHFFFAOYSA-N 1 1 384.274 3.304 20 5 GGBDMO CC[C@@H](C)[N@@H+](C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000554969467 567760389 /nfs/dbraw/zinc/76/03/89/567760389.db2.gz MLHUBZUYIHXBHC-LLVKDONJSA-N 1 1 391.253 3.019 20 5 GGBDMO CC[C@@H](C)N(C)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554969467 567760392 /nfs/dbraw/zinc/76/03/92/567760392.db2.gz MLHUBZUYIHXBHC-LLVKDONJSA-N 1 1 391.253 3.019 20 5 GGBDMO CN(C(=O)C[N@H+](C)Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000533251361 567761390 /nfs/dbraw/zinc/76/13/90/567761390.db2.gz MGOHOXLFEWNQMS-UHFFFAOYSA-N 1 1 392.253 3.452 20 5 GGBDMO CN(C(=O)C[N@@H+](C)Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000533251361 567761399 /nfs/dbraw/zinc/76/13/99/567761399.db2.gz MGOHOXLFEWNQMS-UHFFFAOYSA-N 1 1 392.253 3.452 20 5 GGBDMO COc1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1[N+](=O)[O-] ZINC000574202612 567762666 /nfs/dbraw/zinc/76/26/66/567762666.db2.gz GZQRCIKZCRDCLD-UHFFFAOYSA-N 1 1 391.225 3.303 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598558035 567776539 /nfs/dbraw/zinc/77/65/39/567776539.db2.gz BPMBDHJGKHBPKA-ZDUSSCGKSA-N 1 1 396.285 3.209 20 5 GGBDMO COc1ccc(C[NH2+]Cc2cc(Br)cnc2OC)cc1[N+](=O)[O-] ZINC000599003768 567802666 /nfs/dbraw/zinc/80/26/66/567802666.db2.gz OBXLCTOTIVVKHR-UHFFFAOYSA-N 1 1 382.214 3.059 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599076656 567804698 /nfs/dbraw/zinc/80/46/98/567804698.db2.gz DDVQYVKULNDPLS-BETUJISGSA-N 1 1 398.301 3.455 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599147914 567807601 /nfs/dbraw/zinc/80/76/01/567807601.db2.gz SZQZHORJQNZCJC-VXGBXAGGSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599152102 567807841 /nfs/dbraw/zinc/80/78/41/567807841.db2.gz FMOSJDLIPWIXGQ-FRRDWIJNSA-N 1 1 398.301 3.454 20 5 GGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599152429 567807954 /nfs/dbraw/zinc/80/79/54/567807954.db2.gz FMOSJDLIPWIXGQ-XQQFMLRXSA-N 1 1 398.301 3.454 20 5 GGBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1-c1nn[nH]n1 ZINC000826193871 607488649 /nfs/dbraw/zinc/48/86/49/607488649.db2.gz SUZDPZPWSVNTFZ-UHFFFAOYSA-N 1 1 382.424 3.194 20 5 GGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000820668578 606199719 /nfs/dbraw/zinc/19/97/19/606199719.db2.gz VANMCHRRSUWSHZ-HOCLYGCPSA-N 1 1 393.451 3.240 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820760432 606471033 /nfs/dbraw/zinc/47/10/33/606471033.db2.gz QTAKPXHIEVHPSO-KBXCAEBGSA-N 1 1 393.451 3.097 20 5 GGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000824937308 608402547 /nfs/dbraw/zinc/40/25/47/608402547.db2.gz PIYUUSRILHSLIA-ZDUSSCGKSA-N 1 1 394.439 3.288 20 5 GGBDMO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000824611560 608563595 /nfs/dbraw/zinc/56/35/95/608563595.db2.gz BBFADKXTLITONA-JTQLQIEISA-N 1 1 390.350 3.227 20 5 GGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824612304 609153608 /nfs/dbraw/zinc/15/36/08/609153608.db2.gz MQBBUXHIPJZYSJ-SECBINFHSA-N 1 1 376.779 3.418 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052954615 1406240633 /nfs/dbraw/zinc/24/06/33/1406240633.db2.gz BWUYRSDVCAURTI-DOTOQJQBSA-N 1 1 397.479 3.377 20 5 GGBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)c1ccc(F)cc1 ZINC000053088291 1406287636 /nfs/dbraw/zinc/28/76/36/1406287636.db2.gz PTFJODVAFBIEBB-GFCCVEGCSA-N 1 1 389.383 3.484 20 5 GGBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)c1ccc(F)cc1 ZINC000053088291 1406287642 /nfs/dbraw/zinc/28/76/42/1406287642.db2.gz PTFJODVAFBIEBB-GFCCVEGCSA-N 1 1 389.383 3.484 20 5 GGBDMO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053279509 1406352770 /nfs/dbraw/zinc/35/27/70/1406352770.db2.gz RDWREQJGVFPUIW-INIZCTEOSA-N 1 1 383.404 3.408 20 5 GGBDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053279509 1406352783 /nfs/dbraw/zinc/35/27/83/1406352783.db2.gz RDWREQJGVFPUIW-INIZCTEOSA-N 1 1 383.404 3.408 20 5 GGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000053370963 1406380058 /nfs/dbraw/zinc/38/00/58/1406380058.db2.gz FABZLMFLBNAASY-INIZCTEOSA-N 1 1 385.468 3.022 20 5 GGBDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000053580418 1406450956 /nfs/dbraw/zinc/45/09/56/1406450956.db2.gz MSHROUPOGGDULS-ZBFHGGJFSA-N 1 1 389.477 3.246 20 5 GGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000053580418 1406450959 /nfs/dbraw/zinc/45/09/59/1406450959.db2.gz MSHROUPOGGDULS-ZBFHGGJFSA-N 1 1 389.477 3.246 20 5 GGBDMO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053681480 1406478063 /nfs/dbraw/zinc/47/80/63/1406478063.db2.gz DZUMOPQNJWYXNY-UHFFFAOYSA-N 1 1 377.828 3.248 20 5 GGBDMO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053681480 1406478071 /nfs/dbraw/zinc/47/80/71/1406478071.db2.gz DZUMOPQNJWYXNY-UHFFFAOYSA-N 1 1 377.828 3.248 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000054167746 1406637228 /nfs/dbraw/zinc/63/72/28/1406637228.db2.gz DXDUJCIUHZEGRI-CALCHBBNSA-N 1 1 397.475 3.177 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000054167746 1406637240 /nfs/dbraw/zinc/63/72/40/1406637240.db2.gz DXDUJCIUHZEGRI-CALCHBBNSA-N 1 1 397.475 3.177 20 5 GGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000054224038 1406657256 /nfs/dbraw/zinc/65/72/56/1406657256.db2.gz DQVTZVVKFJRJKS-WMZOPIPTSA-N 1 1 382.464 3.349 20 5 GGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000054286427 1406680367 /nfs/dbraw/zinc/68/03/67/1406680367.db2.gz FYTGHUAZOANICU-OAHLLOKOSA-N 1 1 385.468 3.021 20 5 GGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000054286428 1406680843 /nfs/dbraw/zinc/68/08/43/1406680843.db2.gz FYTGHUAZOANICU-HNNXBMFYSA-N 1 1 385.468 3.021 20 5 GGBDMO CCOc1cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000054286730 1406682031 /nfs/dbraw/zinc/68/20/31/1406682031.db2.gz JHMMGFJLNNVJFP-CQSZACIVSA-N 1 1 393.484 3.242 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000054645586 1406795356 /nfs/dbraw/zinc/79/53/56/1406795356.db2.gz RARVSVGNCAYMHG-GOSISDBHSA-N 1 1 390.871 3.393 20 5 GGBDMO COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000055032668 1406874873 /nfs/dbraw/zinc/87/48/73/1406874873.db2.gz SYWGRSIRYWUGQD-UHFFFAOYSA-N 1 1 384.436 3.390 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102647 1406885628 /nfs/dbraw/zinc/88/56/28/1406885628.db2.gz JWLZWLASXXKMPR-UHFFFAOYSA-N 1 1 385.420 3.127 20 5 GGBDMO COc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000007661889 1398724652 /nfs/dbraw/zinc/72/46/52/1398724652.db2.gz DOWDLCIWWULJTQ-UHFFFAOYSA-N 1 1 385.420 3.215 20 5 GGBDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C2CC2)cc1 ZINC000007661889 1398724662 /nfs/dbraw/zinc/72/46/62/1398724662.db2.gz DOWDLCIWWULJTQ-UHFFFAOYSA-N 1 1 385.420 3.215 20 5 GGBDMO COc1ccccc1[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000008019936 1398792684 /nfs/dbraw/zinc/79/26/84/1398792684.db2.gz BVLAZOKHBWEBOX-LJQANCHMSA-N 1 1 398.463 3.210 20 5 GGBDMO CS(=O)(=O)c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000008148284 1398808668 /nfs/dbraw/zinc/80/86/68/1398808668.db2.gz ULDJNXLLNYAXRB-UHFFFAOYSA-N 1 1 389.477 3.075 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000008367138 1398826861 /nfs/dbraw/zinc/82/68/61/1398826861.db2.gz WRDWOGGQYUUMCX-INIZCTEOSA-N 1 1 399.447 3.006 20 5 GGBDMO CSc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000008488438 1398834327 /nfs/dbraw/zinc/83/43/27/1398834327.db2.gz LHDXEINGTMVJKT-HNNXBMFYSA-N 1 1 375.450 3.477 20 5 GGBDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(OC)c1 ZINC000008940456 1398849867 /nfs/dbraw/zinc/84/98/67/1398849867.db2.gz HWKSDGWCCLSNCM-QGZVFWFLSA-N 1 1 385.420 3.048 20 5 GGBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(OC)c1 ZINC000008940456 1398849869 /nfs/dbraw/zinc/84/98/69/1398849869.db2.gz HWKSDGWCCLSNCM-QGZVFWFLSA-N 1 1 385.420 3.048 20 5 GGBDMO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000010340294 1398887310 /nfs/dbraw/zinc/88/73/10/1398887310.db2.gz ZRJGPZFLZBZUOQ-NRFANRHFSA-N 1 1 394.475 3.081 20 5 GGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c([N+](=O)[O-])c1 ZINC000014813650 1399122171 /nfs/dbraw/zinc/12/21/71/1399122171.db2.gz XHSUBNMWXRVBEG-UHFFFAOYSA-N 1 1 393.403 3.373 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])c1 ZINC000015046692 1399134815 /nfs/dbraw/zinc/13/48/15/1399134815.db2.gz XGXFZGMJPZJOLX-ZDUSSCGKSA-N 1 1 391.399 3.080 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])c1 ZINC000015046692 1399134822 /nfs/dbraw/zinc/13/48/22/1399134822.db2.gz XGXFZGMJPZJOLX-ZDUSSCGKSA-N 1 1 391.399 3.080 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000015101682 1399139348 /nfs/dbraw/zinc/13/93/48/1399139348.db2.gz YNQLFAORUCQMNT-CYBMUJFWSA-N 1 1 391.399 3.080 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000015101682 1399139351 /nfs/dbraw/zinc/13/93/51/1399139351.db2.gz YNQLFAORUCQMNT-CYBMUJFWSA-N 1 1 391.399 3.080 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@H+](C)CCOc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000015100153 1399139663 /nfs/dbraw/zinc/13/96/63/1399139663.db2.gz VOYGXGSFJCURAT-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCOc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000015100153 1399139672 /nfs/dbraw/zinc/13/96/72/1399139672.db2.gz VOYGXGSFJCURAT-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016445806 1399241518 /nfs/dbraw/zinc/24/15/18/1399241518.db2.gz TUVHCZVTVIRHGI-UHFFFAOYSA-N 1 1 388.855 3.005 20 5 GGBDMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000016445797 1399241544 /nfs/dbraw/zinc/24/15/44/1399241544.db2.gz XGNVDTQPVXJSGM-UHFFFAOYSA-N 1 1 388.855 3.005 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000017305940 1399278975 /nfs/dbraw/zinc/27/89/75/1399278975.db2.gz JBTLZCCVBQBQEM-OAHLLOKOSA-N 1 1 394.435 3.115 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000017305940 1399278980 /nfs/dbraw/zinc/27/89/80/1399278980.db2.gz JBTLZCCVBQBQEM-OAHLLOKOSA-N 1 1 394.435 3.115 20 5 GGBDMO Nc1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000018215567 1399307340 /nfs/dbraw/zinc/30/73/40/1399307340.db2.gz SWEQWOKNAPNFRU-UHFFFAOYSA-N 1 1 390.443 3.288 20 5 GGBDMO O=C(CN1CC[NH+](Cc2cccs2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000019540030 1399331923 /nfs/dbraw/zinc/33/19/23/1399331923.db2.gz UMVYNXDIVVFQJB-UHFFFAOYSA-N 1 1 394.884 3.066 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000019541882 1399332154 /nfs/dbraw/zinc/33/21/54/1399332154.db2.gz XWKWNCLEKQEJJP-NSHDSACASA-N 1 1 391.811 3.436 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000019541882 1399332157 /nfs/dbraw/zinc/33/21/57/1399332157.db2.gz XWKWNCLEKQEJJP-NSHDSACASA-N 1 1 391.811 3.436 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020893097 1399356284 /nfs/dbraw/zinc/35/62/84/1399356284.db2.gz FJWIUKPLZWQCKW-UHFFFAOYSA-N 1 1 382.464 3.131 20 5 GGBDMO CNc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000023080321 1399531201 /nfs/dbraw/zinc/53/12/01/1399531201.db2.gz RXDQKRGLNFTCAD-QGZVFWFLSA-N 1 1 376.844 3.323 20 5 GGBDMO CNc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000023080323 1399531304 /nfs/dbraw/zinc/53/13/04/1399531304.db2.gz RXDQKRGLNFTCAD-KRWDZBQOSA-N 1 1 376.844 3.323 20 5 GGBDMO CCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc1[N+](=O)[O-] ZINC000023230237 1399542130 /nfs/dbraw/zinc/54/21/30/1399542130.db2.gz XRHGIANAYMVESI-QGZVFWFLSA-N 1 1 387.436 3.035 20 5 GGBDMO CCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)cc1[N+](=O)[O-] ZINC000023230238 1399542260 /nfs/dbraw/zinc/54/22/60/1399542260.db2.gz XRHGIANAYMVESI-KRWDZBQOSA-N 1 1 387.436 3.035 20 5 GGBDMO CC(C)[N@@H+](Cc1ccccc1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000023382537 1399554445 /nfs/dbraw/zinc/55/44/45/1399554445.db2.gz RSRJOWBCUMQDSK-OAQYLSRUSA-N 1 1 396.447 3.230 20 5 GGBDMO CC(C)[N@H+](Cc1ccccc1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000023382537 1399554449 /nfs/dbraw/zinc/55/44/49/1399554449.db2.gz RSRJOWBCUMQDSK-OAQYLSRUSA-N 1 1 396.447 3.230 20 5 GGBDMO CCC[N@@H+](Cc1ccccc1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000023383961 1399555029 /nfs/dbraw/zinc/55/50/29/1399555029.db2.gz RZKPQPHYZPLXJB-OAQYLSRUSA-N 1 1 396.447 3.232 20 5 GGBDMO CCC[N@H+](Cc1ccccc1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000023383961 1399555036 /nfs/dbraw/zinc/55/50/36/1399555036.db2.gz RZKPQPHYZPLXJB-OAQYLSRUSA-N 1 1 396.447 3.232 20 5 GGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000023409762 1399557460 /nfs/dbraw/zinc/55/74/60/1399557460.db2.gz CIPSBAKWMOZVNW-GOSISDBHSA-N 1 1 395.381 3.469 20 5 GGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000023638432 1399577036 /nfs/dbraw/zinc/57/70/36/1399577036.db2.gz XKLZCAGEVWYJCZ-UHFFFAOYSA-N 1 1 394.475 3.436 20 5 GGBDMO COc1ccc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025461366 1399810961 /nfs/dbraw/zinc/81/09/61/1399810961.db2.gz DVNHNVWKDPVPGQ-UHFFFAOYSA-N 1 1 383.448 3.170 20 5 GGBDMO CC(C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000025535868 1399817818 /nfs/dbraw/zinc/81/78/18/1399817818.db2.gz SGHLOLVHGKWUOF-HXUWFJFHSA-N 1 1 397.475 3.173 20 5 GGBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(OC(F)F)cc1 ZINC000026206601 1399868996 /nfs/dbraw/zinc/86/89/96/1399868996.db2.gz DKADBFHRTFDZKG-UHFFFAOYSA-N 1 1 391.374 3.217 20 5 GGBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(OC(F)F)cc1 ZINC000026206601 1399869002 /nfs/dbraw/zinc/86/90/02/1399869002.db2.gz DKADBFHRTFDZKG-UHFFFAOYSA-N 1 1 391.374 3.217 20 5 GGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000026225069 1399871200 /nfs/dbraw/zinc/87/12/00/1399871200.db2.gz GWWIEGYVLCZSEU-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000026227944 1399871663 /nfs/dbraw/zinc/87/16/63/1399871663.db2.gz ADCRHNLVOMJJNN-UHFFFAOYSA-N 1 1 398.463 3.419 20 5 GGBDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000026227944 1399871664 /nfs/dbraw/zinc/87/16/64/1399871664.db2.gz ADCRHNLVOMJJNN-UHFFFAOYSA-N 1 1 398.463 3.419 20 5 GGBDMO Cc1ccccc1CN1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000026249680 1399873197 /nfs/dbraw/zinc/87/31/97/1399873197.db2.gz PBQGYSUZGDMDRD-UHFFFAOYSA-N 1 1 396.491 3.358 20 5 GGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000026256726 1399874247 /nfs/dbraw/zinc/87/42/47/1399874247.db2.gz WJXGVVWLFATBOC-UHFFFAOYSA-N 1 1 391.399 3.212 20 5 GGBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000026320303 1399878001 /nfs/dbraw/zinc/87/80/01/1399878001.db2.gz RXXBJDIERODUAC-AWEZNQCLSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000026320303 1399878004 /nfs/dbraw/zinc/87/80/04/1399878004.db2.gz RXXBJDIERODUAC-AWEZNQCLSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000026336803 1399879150 /nfs/dbraw/zinc/87/91/50/1399879150.db2.gz FDUVBNCIRGIAGJ-UHFFFAOYSA-N 1 1 391.399 3.082 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCOc1ccccc1F ZINC000026337147 1399879552 /nfs/dbraw/zinc/87/95/52/1399879552.db2.gz JLMOWUCXQLKDPC-UHFFFAOYSA-N 1 1 375.400 3.382 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCOc1ccccc1F ZINC000026337160 1399879726 /nfs/dbraw/zinc/87/97/26/1399879726.db2.gz CKYVNMDMVJBSQO-UHFFFAOYSA-N 1 1 391.399 3.082 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCOc1cccc(C)c1 ZINC000026337269 1399879734 /nfs/dbraw/zinc/87/97/34/1399879734.db2.gz CJQZKQGWGGYETH-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026348741 1399881185 /nfs/dbraw/zinc/88/11/85/1399881185.db2.gz AKEOGYYBZJOCQH-UHFFFAOYSA-N 1 1 396.447 3.182 20 5 GGBDMO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026346512 1399881198 /nfs/dbraw/zinc/88/11/98/1399881198.db2.gz JQIWKKNGRCNILY-UHFFFAOYSA-N 1 1 389.839 3.148 20 5 GGBDMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026346512 1399881199 /nfs/dbraw/zinc/88/11/99/1399881199.db2.gz JQIWKKNGRCNILY-UHFFFAOYSA-N 1 1 389.839 3.148 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000026370520 1399884009 /nfs/dbraw/zinc/88/40/09/1399884009.db2.gz NPHFJWZAEWREIP-CQSZACIVSA-N 1 1 385.420 3.133 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000026370520 1399884010 /nfs/dbraw/zinc/88/40/10/1399884010.db2.gz NPHFJWZAEWREIP-CQSZACIVSA-N 1 1 385.420 3.133 20 5 GGBDMO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C ZINC000026486704 1399894757 /nfs/dbraw/zinc/89/47/57/1399894757.db2.gz VUVIAKXNJZXSJR-UHFFFAOYSA-N 1 1 382.464 3.440 20 5 GGBDMO CC(C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000026727777 1399926431 /nfs/dbraw/zinc/92/64/31/1399926431.db2.gz MBNCVWMPGLCEGN-HXUWFJFHSA-N 1 1 382.464 3.189 20 5 GGBDMO Cc1cccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000026758187 1399929802 /nfs/dbraw/zinc/92/98/02/1399929802.db2.gz JAMMXVCRIOCHKZ-SFHVURJKSA-N 1 1 396.491 3.356 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000027217958 1400005378 /nfs/dbraw/zinc/00/53/78/1400005378.db2.gz VSRZSMUWRJWNRF-OAHLLOKOSA-N 1 1 388.493 3.110 20 5 GGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000027241419 1400008028 /nfs/dbraw/zinc/00/80/28/1400008028.db2.gz QHRNGSNYSIZHBH-UHFFFAOYSA-N 1 1 385.489 3.421 20 5 GGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027252028 1400010710 /nfs/dbraw/zinc/01/07/10/1400010710.db2.gz UHBLFLWVIHNYIC-UHFFFAOYSA-N 1 1 385.489 3.074 20 5 GGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000027335464 1400020948 /nfs/dbraw/zinc/02/09/48/1400020948.db2.gz HGRGRPIDFDYAEI-MRXNPFEDSA-N 1 1 375.450 3.477 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000027388121 1400031667 /nfs/dbraw/zinc/03/16/67/1400031667.db2.gz ANQXHKMUNJBARB-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO CCc1ccc([C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[NH+](C)C)cc1 ZINC000027952409 1400110002 /nfs/dbraw/zinc/11/00/02/1400110002.db2.gz ULQXHFKEOSIEDH-GOSISDBHSA-N 1 1 391.493 3.047 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000055798072 1407085351 /nfs/dbraw/zinc/08/53/51/1407085351.db2.gz QFVMPWLZIGQPFG-IYBDPMFKSA-N 1 1 383.448 3.134 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000055798072 1407085355 /nfs/dbraw/zinc/08/53/55/1407085355.db2.gz QFVMPWLZIGQPFG-IYBDPMFKSA-N 1 1 383.448 3.134 20 5 GGBDMO CCC(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000029208203 1400258346 /nfs/dbraw/zinc/25/83/46/1400258346.db2.gz BCNPKBDFOKLTSF-QGZVFWFLSA-N 1 1 383.876 3.115 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029536847 1400311947 /nfs/dbraw/zinc/31/19/47/1400311947.db2.gz AQVBHPWQFIVDAU-LJQANCHMSA-N 1 1 385.420 3.006 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029536847 1400311950 /nfs/dbraw/zinc/31/19/50/1400311950.db2.gz AQVBHPWQFIVDAU-LJQANCHMSA-N 1 1 385.420 3.006 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029536849 1400311971 /nfs/dbraw/zinc/31/19/71/1400311971.db2.gz AQVBHPWQFIVDAU-IBGZPJMESA-N 1 1 385.420 3.006 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029536849 1400311976 /nfs/dbraw/zinc/31/19/76/1400311976.db2.gz AQVBHPWQFIVDAU-IBGZPJMESA-N 1 1 385.420 3.006 20 5 GGBDMO CC[N@@H+](c1ccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1)C(C)C ZINC000029588172 1400318952 /nfs/dbraw/zinc/31/89/52/1400318952.db2.gz LSWMKTIJRXIHIS-UHFFFAOYSA-N 1 1 378.454 3.221 20 5 GGBDMO CC[N@H+](c1ccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1)C(C)C ZINC000029588172 1400318961 /nfs/dbraw/zinc/31/89/61/1400318961.db2.gz LSWMKTIJRXIHIS-UHFFFAOYSA-N 1 1 378.454 3.221 20 5 GGBDMO C[NH+]1CCN(CCCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000029619383 1400324381 /nfs/dbraw/zinc/32/43/81/1400324381.db2.gz UQURICISINWJBA-UHFFFAOYSA-N 1 1 396.491 3.265 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000029854280 1400363992 /nfs/dbraw/zinc/36/39/92/1400363992.db2.gz GSPVJIREUZEYHU-HNNXBMFYSA-N 1 1 387.436 3.331 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000029854280 1400364002 /nfs/dbraw/zinc/36/40/02/1400364002.db2.gz GSPVJIREUZEYHU-HNNXBMFYSA-N 1 1 387.436 3.331 20 5 GGBDMO Cc1cc(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000030000156 1400395287 /nfs/dbraw/zinc/39/52/87/1400395287.db2.gz WZOHMMBYRPILIV-OAQYLSRUSA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1cc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000030000156 1400395295 /nfs/dbraw/zinc/39/52/95/1400395295.db2.gz WZOHMMBYRPILIV-OAQYLSRUSA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1cc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000030000156 1400395302 /nfs/dbraw/zinc/39/53/02/1400395302.db2.gz WZOHMMBYRPILIV-OAQYLSRUSA-N 1 1 396.491 3.012 20 5 GGBDMO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000055899173 1407124329 /nfs/dbraw/zinc/12/43/29/1407124329.db2.gz NAUMSOWUFVTWQM-UHFFFAOYSA-N 1 1 385.464 3.060 20 5 GGBDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000056039330 1407178083 /nfs/dbraw/zinc/17/80/83/1407178083.db2.gz UMRMCXREOSMAIR-UHFFFAOYSA-N 1 1 389.839 3.375 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCc2sccc2C1 ZINC000056166405 1407237036 /nfs/dbraw/zinc/23/70/36/1407237036.db2.gz XYPQCRPBLMSQJJ-UHFFFAOYSA-N 1 1 388.493 3.023 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCc2sccc2C1 ZINC000056166405 1407237043 /nfs/dbraw/zinc/23/70/43/1407237043.db2.gz XYPQCRPBLMSQJJ-UHFFFAOYSA-N 1 1 388.493 3.023 20 5 GGBDMO C[C@@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056393554 1407318714 /nfs/dbraw/zinc/31/87/14/1407318714.db2.gz LHMWNKVNVBNUDL-MRXNPFEDSA-N 1 1 382.464 3.403 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000043126857 1403712597 /nfs/dbraw/zinc/71/25/97/1403712597.db2.gz VKYKAMJYYTVGCJ-UHFFFAOYSA-N 1 1 384.436 3.262 20 5 GGBDMO CCC(CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+]1CCOCC1 ZINC000043149444 1403720533 /nfs/dbraw/zinc/72/05/33/1403720533.db2.gz SFKCVNSCDYINBA-GOSISDBHSA-N 1 1 378.473 3.162 20 5 GGBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043343094 1403750495 /nfs/dbraw/zinc/75/04/95/1403750495.db2.gz LMJLNEVLAHDRIW-UHFFFAOYSA-N 1 1 396.875 3.405 20 5 GGBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000043544736 1403782732 /nfs/dbraw/zinc/78/27/32/1403782732.db2.gz DSOTVSAAOAIPPO-GOSISDBHSA-N 1 1 394.475 3.199 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000044438856 1403933876 /nfs/dbraw/zinc/93/38/76/1403933876.db2.gz JPXJXTQIUDNSFW-UHFFFAOYSA-N 1 1 379.363 3.342 20 5 GGBDMO Cc1cc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000044637998 1403970883 /nfs/dbraw/zinc/97/08/83/1403970883.db2.gz KYBPPWHHFGFIPC-IAGOWNOFSA-N 1 1 397.475 3.442 20 5 GGBDMO Cc1cc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000044638000 1403971090 /nfs/dbraw/zinc/97/10/90/1403971090.db2.gz KYBPPWHHFGFIPC-IRXDYDNUSA-N 1 1 397.475 3.442 20 5 GGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000045457891 1404125381 /nfs/dbraw/zinc/12/53/81/1404125381.db2.gz FBCHGFHSBKHSLF-HXUWFJFHSA-N 1 1 382.464 3.111 20 5 GGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000045465170 1404127571 /nfs/dbraw/zinc/12/75/71/1404127571.db2.gz QATQQNVVUYVIDP-CQSZACIVSA-N 1 1 385.489 3.493 20 5 GGBDMO Cc1cccc(CN2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000045799547 1404207488 /nfs/dbraw/zinc/20/74/88/1404207488.db2.gz DTWXJZUSZTTYPJ-UHFFFAOYSA-N 1 1 382.464 3.050 20 5 GGBDMO Cc1ccccc1CN1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000045799591 1404207512 /nfs/dbraw/zinc/20/75/12/1404207512.db2.gz LLEXZBKGBNKMFV-UHFFFAOYSA-N 1 1 396.491 3.358 20 5 GGBDMO Cc1cc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)nc(C(C)C)n1 ZINC000046056789 1404285071 /nfs/dbraw/zinc/28/50/71/1404285071.db2.gz HSIVDOAJRFMSPF-UHFFFAOYSA-N 1 1 385.468 3.018 20 5 GGBDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000046121235 1404305602 /nfs/dbraw/zinc/30/56/02/1404305602.db2.gz JPEKITCFDJUWMA-UHFFFAOYSA-N 1 1 397.479 3.054 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000046149150 1404312497 /nfs/dbraw/zinc/31/24/97/1404312497.db2.gz NAWAOQGZZCNVSF-HZPDHXFCSA-N 1 1 383.448 3.134 20 5 GGBDMO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000046243767 1404342850 /nfs/dbraw/zinc/34/28/50/1404342850.db2.gz KPACVCCUDPHHOD-CQSZACIVSA-N 1 1 388.493 3.021 20 5 GGBDMO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000046243767 1404342856 /nfs/dbraw/zinc/34/28/56/1404342856.db2.gz KPACVCCUDPHHOD-CQSZACIVSA-N 1 1 388.493 3.021 20 5 GGBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000046403783 1404401226 /nfs/dbraw/zinc/40/12/26/1404401226.db2.gz DAHADWJMJOCMNP-UHFFFAOYSA-N 1 1 397.479 3.055 20 5 GGBDMO C[C@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056726784 1407409869 /nfs/dbraw/zinc/40/98/69/1407409869.db2.gz QSRDIQFOYVLVIO-HNNXBMFYSA-N 1 1 388.493 3.287 20 5 GGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000046709606 1404560387 /nfs/dbraw/zinc/56/03/87/1404560387.db2.gz CCHGXORXJJFODI-UHFFFAOYSA-N 1 1 396.491 3.440 20 5 GGBDMO CC[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000046768698 1404583207 /nfs/dbraw/zinc/58/32/07/1404583207.db2.gz SSUCRSMVONTEHO-IBGZPJMESA-N 1 1 396.491 3.350 20 5 GGBDMO CCOc1cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000046989545 1404664318 /nfs/dbraw/zinc/66/43/18/1404664318.db2.gz KFKGQVQKWGSYHE-OAHLLOKOSA-N 1 1 393.484 3.387 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000046989658 1404664439 /nfs/dbraw/zinc/66/44/39/1404664439.db2.gz AKESWGUYUDNLGK-HNNXBMFYSA-N 1 1 393.484 3.387 20 5 GGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000047214091 1404750239 /nfs/dbraw/zinc/75/02/39/1404750239.db2.gz DVYBEKQKFPDIAF-KRWDZBQOSA-N 1 1 388.512 3.437 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047323340 1404805927 /nfs/dbraw/zinc/80/59/27/1404805927.db2.gz QTKLYHIIWLFEKP-UHFFFAOYSA-N 1 1 384.436 3.057 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1OC ZINC000047385693 1404823139 /nfs/dbraw/zinc/82/31/39/1404823139.db2.gz JUEUFVQKXNMLSI-UHFFFAOYSA-N 1 1 397.391 3.144 20 5 GGBDMO CCOc1cc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000047416711 1404830419 /nfs/dbraw/zinc/83/04/19/1404830419.db2.gz DFDDGTXZDAKNBP-GASCZTMLSA-N 1 1 393.484 3.100 20 5 GGBDMO CCOC(=O)c1cc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000047675682 1404891376 /nfs/dbraw/zinc/89/13/76/1404891376.db2.gz GLKCHYHLNXFSDB-UHFFFAOYSA-N 1 1 391.468 3.108 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000047864565 1404977410 /nfs/dbraw/zinc/97/74/10/1404977410.db2.gz QDGSEIRCJFVKMM-GFCCVEGCSA-N 1 1 384.339 3.214 20 5 GGBDMO Cc1noc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 ZINC000048018100 1405026841 /nfs/dbraw/zinc/02/68/41/1405026841.db2.gz QLXQIEPVMPNKPL-UHFFFAOYSA-N 1 1 399.476 3.333 20 5 GGBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048321684 1405144034 /nfs/dbraw/zinc/14/40/34/1405144034.db2.gz YVRWGGJNXYDIBU-UHFFFAOYSA-N 1 1 378.432 3.254 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000048361273 1405164137 /nfs/dbraw/zinc/16/41/37/1405164137.db2.gz QEFBCVXTUNTDRB-IRXDYDNUSA-N 1 1 397.475 3.063 20 5 GGBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000173475818 1426649269 /nfs/dbraw/zinc/64/92/69/1426649269.db2.gz PRWRNMKJSMBKBX-FQEVSTJZSA-N 1 1 382.464 3.461 20 5 GGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050613131 1405613612 /nfs/dbraw/zinc/61/36/12/1405613612.db2.gz RZGKPUDHARGECA-GFCCVEGCSA-N 1 1 385.449 3.289 20 5 GGBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132840 1405728596 /nfs/dbraw/zinc/72/85/96/1405728596.db2.gz TUKBBMCSVHFRJO-UYAOXDASSA-N 1 1 383.448 3.293 20 5 GGBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052192810 1405979671 /nfs/dbraw/zinc/97/96/71/1405979671.db2.gz IGNFZULDMXUWJT-HUUCEWRRSA-N 1 1 385.468 3.012 20 5 GGBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052192809 1405979850 /nfs/dbraw/zinc/97/98/50/1405979850.db2.gz IGNFZULDMXUWJT-GJZGRUSLSA-N 1 1 385.468 3.012 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052282705 1406007700 /nfs/dbraw/zinc/00/77/00/1406007700.db2.gz NYQQWOAFCORQBM-GASCZTMLSA-N 1 1 383.514 3.168 20 5 GGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000052384687 1406035344 /nfs/dbraw/zinc/03/53/44/1406035344.db2.gz ZCSZIFYVZQGHIN-UHFFFAOYSA-N 1 1 381.461 3.436 20 5 GGBDMO Cc1cccc(C[NH+]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)c1 ZINC000052606358 1406093863 /nfs/dbraw/zinc/09/38/63/1406093863.db2.gz VZCUPAPTNKSOPA-UHFFFAOYSA-N 1 1 378.432 3.343 20 5 GGBDMO COc1ccc2c(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc(=O)oc2c1 ZINC000052844489 1406196343 /nfs/dbraw/zinc/19/63/43/1406196343.db2.gz GVEBLCPKWAVIBO-UHFFFAOYSA-N 1 1 395.415 3.032 20 5 GGBDMO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+]1CCc2sccc2C1 ZINC000056888015 1407465497 /nfs/dbraw/zinc/46/54/97/1407465497.db2.gz GILJCBOLJAFCBR-GFCCVEGCSA-N 1 1 384.461 3.314 20 5 GGBDMO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@H+]1CCc2sccc2C1 ZINC000056888015 1407465499 /nfs/dbraw/zinc/46/54/99/1407465499.db2.gz GILJCBOLJAFCBR-GFCCVEGCSA-N 1 1 384.461 3.314 20 5 GGBDMO CC[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000057004821 1407497289 /nfs/dbraw/zinc/49/72/89/1407497289.db2.gz GZHGQLYBXAXADN-IBGZPJMESA-N 1 1 382.464 3.231 20 5 GGBDMO CC[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000057004824 1407497360 /nfs/dbraw/zinc/49/73/60/1407497360.db2.gz GZHGQLYBXAXADN-LJQANCHMSA-N 1 1 382.464 3.231 20 5 GGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057004934 1407497469 /nfs/dbraw/zinc/49/74/69/1407497469.db2.gz IEFWHEAFXSHUJG-UHFFFAOYSA-N 1 1 382.464 3.321 20 5 GGBDMO CCOC(=O)CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000057592475 1407661298 /nfs/dbraw/zinc/66/12/98/1407661298.db2.gz HLHMWHMONIMXGG-UHFFFAOYSA-N 1 1 389.374 3.079 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000058315046 1407810582 /nfs/dbraw/zinc/81/05/82/1407810582.db2.gz JZJLFZIQJOFQIR-CALCHBBNSA-N 1 1 399.495 3.268 20 5 GGBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000058372584 1407819352 /nfs/dbraw/zinc/81/93/52/1407819352.db2.gz XYHYHHLYWDPCES-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000058372584 1407819357 /nfs/dbraw/zinc/81/93/57/1407819357.db2.gz XYHYHHLYWDPCES-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO Cc1ccc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000058760352 1407876423 /nfs/dbraw/zinc/87/64/23/1407876423.db2.gz IGGKYTCBFSQGHV-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO Cc1ccc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000060064743 1407936397 /nfs/dbraw/zinc/93/63/97/1407936397.db2.gz ZNSSOPOGFYOLEQ-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1ccc(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000060064743 1407936402 /nfs/dbraw/zinc/93/64/02/1407936402.db2.gz ZNSSOPOGFYOLEQ-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000060395057 1407970342 /nfs/dbraw/zinc/97/03/42/1407970342.db2.gz GKZUQPVWUVGOKW-UHFFFAOYSA-N 1 1 393.484 3.195 20 5 GGBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000060470223 1407985052 /nfs/dbraw/zinc/98/50/52/1407985052.db2.gz LVHSTHKECMHDML-KRWDZBQOSA-N 1 1 380.448 3.173 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000060845190 1408041203 /nfs/dbraw/zinc/04/12/03/1408041203.db2.gz LJKYTFRDSAUJES-CALCHBBNSA-N 1 1 388.512 3.293 20 5 GGBDMO COc1cc(CNCC[NH+]2CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061030880 1408067539 /nfs/dbraw/zinc/06/75/39/1408067539.db2.gz LCQUXUTVPUECSK-UHFFFAOYSA-N 1 1 385.464 3.368 20 5 GGBDMO O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285023 1408100902 /nfs/dbraw/zinc/10/09/02/1408100902.db2.gz DZIRBSXSKBOQJF-UHFFFAOYSA-N 1 1 387.461 3.161 20 5 GGBDMO O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccccc1C[NH+]1CCSCC1 ZINC000061570935 1408148981 /nfs/dbraw/zinc/14/89/81/1408148981.db2.gz GRSAIHYXVZVINZ-UHFFFAOYSA-N 1 1 386.477 3.194 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)CC(F)(F)F ZINC000176414891 1428311561 /nfs/dbraw/zinc/31/15/61/1428311561.db2.gz DRDMTUWGMPYSIC-CQSZACIVSA-N 1 1 375.391 3.180 20 5 GGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000063723933 1408396981 /nfs/dbraw/zinc/39/69/81/1408396981.db2.gz DAVIDFTYPFRYGR-UHFFFAOYSA-N 1 1 391.515 3.488 20 5 GGBDMO C[NH+]1CCN(CCCCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000063739348 1408399206 /nfs/dbraw/zinc/39/92/06/1408399206.db2.gz UYRLEPXPNSPSAX-UHFFFAOYSA-N 1 1 376.504 3.145 20 5 GGBDMO Cc1c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063758187 1408403425 /nfs/dbraw/zinc/40/34/25/1408403425.db2.gz FBOWZLXCXKXMQE-ZDUSSCGKSA-N 1 1 378.429 3.196 20 5 GGBDMO COc1ccc(CSCC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000063810249 1408418176 /nfs/dbraw/zinc/41/81/76/1408418176.db2.gz JUUZFYFDHMTFIZ-HUUCEWRRSA-N 1 1 395.525 3.073 20 5 GGBDMO Cc1c(Cl)cc(S(=O)(=O)N(CC[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000063864334 1408431667 /nfs/dbraw/zinc/43/16/67/1408431667.db2.gz JSCLZYQMQOEREF-UHFFFAOYSA-N 1 1 397.884 3.314 20 5 GGBDMO Cn1ccnc1C(=O)c1ccc(NCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000064113544 1408486662 /nfs/dbraw/zinc/48/66/62/1408486662.db2.gz UQALGEGVQLBMRG-UHFFFAOYSA-N 1 1 393.447 3.103 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000064310831 1408532750 /nfs/dbraw/zinc/53/27/50/1408532750.db2.gz OOILBRFCIXHRTO-UHFFFAOYSA-N 1 1 389.496 3.478 20 5 GGBDMO Cc1[nH+]ccn1-c1ccccc1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000064337403 1408536637 /nfs/dbraw/zinc/53/66/37/1408536637.db2.gz WJVFOZNDXWZRRR-UHFFFAOYSA-N 1 1 386.433 3.105 20 5 GGBDMO CC(C)[N@H+](CC(=O)NCCOc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350755 1408538021 /nfs/dbraw/zinc/53/80/21/1408538021.db2.gz HPRRQKGRSKMDEX-UHFFFAOYSA-N 1 1 389.427 3.140 20 5 GGBDMO CC(C)[N@@H+](CC(=O)NCCOc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350755 1408538026 /nfs/dbraw/zinc/53/80/26/1408538026.db2.gz HPRRQKGRSKMDEX-UHFFFAOYSA-N 1 1 389.427 3.140 20 5 GGBDMO COCc1ccccc1CNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350787 1408538253 /nfs/dbraw/zinc/53/82/53/1408538253.db2.gz QAIXKBJWLAJWDG-UHFFFAOYSA-N 1 1 385.464 3.268 20 5 GGBDMO COCc1ccccc1CNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350787 1408538257 /nfs/dbraw/zinc/53/82/57/1408538257.db2.gz QAIXKBJWLAJWDG-UHFFFAOYSA-N 1 1 385.464 3.268 20 5 GGBDMO COC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350534 1408538530 /nfs/dbraw/zinc/53/85/30/1408538530.db2.gz GDQMCZRCRUYKBF-UHFFFAOYSA-N 1 1 385.420 3.231 20 5 GGBDMO COC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350534 1408538538 /nfs/dbraw/zinc/53/85/38/1408538538.db2.gz GDQMCZRCRUYKBF-UHFFFAOYSA-N 1 1 385.420 3.231 20 5 GGBDMO COCc1cccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350696 1408538567 /nfs/dbraw/zinc/53/85/67/1408538567.db2.gz CPEWRQMUNAHHDV-UHFFFAOYSA-N 1 1 385.464 3.268 20 5 GGBDMO COCc1cccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350696 1408538570 /nfs/dbraw/zinc/53/85/70/1408538570.db2.gz CPEWRQMUNAHHDV-UHFFFAOYSA-N 1 1 385.464 3.268 20 5 GGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000064350113 1408538661 /nfs/dbraw/zinc/53/86/61/1408538661.db2.gz OZOIFNYYUHOKOC-GOSISDBHSA-N 1 1 389.408 3.153 20 5 GGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000064419513 1408550244 /nfs/dbraw/zinc/55/02/44/1408550244.db2.gz QABILFYMVYUOFV-SMDDNHRTSA-N 1 1 381.816 3.028 20 5 GGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000064739581 1408605582 /nfs/dbraw/zinc/60/55/82/1408605582.db2.gz JCWRTZFTCVQAAE-HZSPNIEDSA-N 1 1 383.876 3.252 20 5 GGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000064739239 1408606006 /nfs/dbraw/zinc/60/60/06/1408606006.db2.gz LRZACXCEHNLORN-UHFFFAOYSA-N 1 1 399.495 3.188 20 5 GGBDMO Cc1c(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000064961137 1408632249 /nfs/dbraw/zinc/63/22/49/1408632249.db2.gz DEHOVJGCZWZJHE-UHFFFAOYSA-N 1 1 392.477 3.208 20 5 GGBDMO Cc1c(C[N@@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000064961137 1408632253 /nfs/dbraw/zinc/63/22/53/1408632253.db2.gz DEHOVJGCZWZJHE-UHFFFAOYSA-N 1 1 392.477 3.208 20 5 GGBDMO Cc1cc(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)nc(C(C)C)n1 ZINC000065209113 1408652620 /nfs/dbraw/zinc/65/26/20/1408652620.db2.gz PNJMSVDJQARWAD-UHFFFAOYSA-N 1 1 385.468 3.018 20 5 GGBDMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208708 1408652756 /nfs/dbraw/zinc/65/27/56/1408652756.db2.gz MYNDEKBYAYVSHL-UHFFFAOYSA-N 1 1 393.827 3.206 20 5 GGBDMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208708 1408652760 /nfs/dbraw/zinc/65/27/60/1408652760.db2.gz MYNDEKBYAYVSHL-UHFFFAOYSA-N 1 1 393.827 3.206 20 5 GGBDMO Cc1c(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000065421171 1408667672 /nfs/dbraw/zinc/66/76/72/1408667672.db2.gz RZPBAWVSHUFVJZ-LBPRGKRZSA-N 1 1 378.429 3.052 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000065436648 1408668867 /nfs/dbraw/zinc/66/88/67/1408668867.db2.gz LKTQNMABJAUIMR-OKILXGFUSA-N 1 1 378.473 3.481 20 5 GGBDMO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000065512374 1408681969 /nfs/dbraw/zinc/68/19/69/1408681969.db2.gz MVUQSBHEENNWRB-HXUWFJFHSA-N 1 1 386.448 3.448 20 5 GGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065517904 1408682258 /nfs/dbraw/zinc/68/22/58/1408682258.db2.gz ZDZPQQCMFDNICJ-LJQANCHMSA-N 1 1 382.464 3.306 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)c1ccccc1 ZINC000176496198 1428339946 /nfs/dbraw/zinc/33/99/46/1428339946.db2.gz GGOABPFJCJSOLU-INIZCTEOSA-N 1 1 393.447 3.044 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)c1ccccc1 ZINC000176496198 1428339949 /nfs/dbraw/zinc/33/99/49/1428339949.db2.gz GGOABPFJCJSOLU-INIZCTEOSA-N 1 1 393.447 3.044 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000065598003 1408696205 /nfs/dbraw/zinc/69/62/05/1408696205.db2.gz JGKJKYVXVMGSRO-UHFFFAOYSA-N 1 1 390.484 3.200 20 5 GGBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCC[N@H+]1CCc2ccccc2C1 ZINC000065725916 1408719197 /nfs/dbraw/zinc/71/91/97/1408719197.db2.gz BTFDIPHQLXUPJK-UHFFFAOYSA-N 1 1 392.459 3.114 20 5 GGBDMO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@H+]1CCc2ccccc2C1 ZINC000065725435 1408719274 /nfs/dbraw/zinc/71/92/74/1408719274.db2.gz PAQLJDWIRFYZTA-MRXNPFEDSA-N 1 1 392.459 3.113 20 5 GGBDMO CCOc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000065740165 1408722055 /nfs/dbraw/zinc/72/20/55/1408722055.db2.gz ZOSPIHFDXXJESU-UHFFFAOYSA-N 1 1 380.404 3.418 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000065881177 1408747187 /nfs/dbraw/zinc/74/71/87/1408747187.db2.gz CWXBGXCDPUUGAI-UHFFFAOYSA-N 1 1 393.447 3.162 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1OC ZINC000065910735 1408752755 /nfs/dbraw/zinc/75/27/55/1408752755.db2.gz UKRIPEINOFUANM-UHFFFAOYSA-N 1 1 393.484 3.339 20 5 GGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000066047220 1408778597 /nfs/dbraw/zinc/77/85/97/1408778597.db2.gz GISSCHOUULKQOI-FCEWJHQRSA-N 1 1 384.480 3.413 20 5 GGBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000066675732 1408882123 /nfs/dbraw/zinc/88/21/23/1408882123.db2.gz WMOJYAWKJIACGD-UHFFFAOYSA-N 1 1 396.491 3.377 20 5 GGBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000066676063 1408882483 /nfs/dbraw/zinc/88/24/83/1408882483.db2.gz BAODOYHMMZEUBK-UHFFFAOYSA-N 1 1 397.475 3.344 20 5 GGBDMO O=C(NC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)Oc1ccccc1 ZINC000066795951 1408917467 /nfs/dbraw/zinc/91/74/67/1408917467.db2.gz WVLOSEXCNWEZJK-UHFFFAOYSA-N 1 1 395.419 3.155 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176581045 1428370228 /nfs/dbraw/zinc/37/02/28/1428370228.db2.gz VBFOWXZMOOGGIH-AEFFLSMTSA-N 1 1 383.448 3.143 20 5 GGBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000176579121 1428369257 /nfs/dbraw/zinc/36/92/57/1428369257.db2.gz HNSHLHCEVCAFAO-YJBOKZPZSA-N 1 1 383.448 3.386 20 5 GGBDMO O=C1[C@@H]([NH+]2CCC(OCc3ccccc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067376105 1409091312 /nfs/dbraw/zinc/09/13/12/1409091312.db2.gz HXJQSRYZBUQQFW-NRFANRHFSA-N 1 1 395.459 3.381 20 5 GGBDMO O=c1[nH]cnc2cc(NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000067384805 1409096268 /nfs/dbraw/zinc/09/62/68/1409096268.db2.gz LUCZGYLGHHLYPK-MRXNPFEDSA-N 1 1 393.447 3.155 20 5 GGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000176597988 1428375382 /nfs/dbraw/zinc/37/53/82/1428375382.db2.gz PBAUNFRUHVOLBE-GOSISDBHSA-N 1 1 376.501 3.195 20 5 GGBDMO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067452128 1409121492 /nfs/dbraw/zinc/12/14/92/1409121492.db2.gz OIXRKAVCLPRRRV-NRFANRHFSA-N 1 1 396.491 3.332 20 5 GGBDMO COc1ccccc1CN(C)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458524 1409124047 /nfs/dbraw/zinc/12/40/47/1409124047.db2.gz PMPVJOCGBNQFIA-UHFFFAOYSA-N 1 1 385.464 3.472 20 5 GGBDMO COc1ccccc1CN(C)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458524 1409124056 /nfs/dbraw/zinc/12/40/56/1409124056.db2.gz PMPVJOCGBNQFIA-UHFFFAOYSA-N 1 1 385.464 3.472 20 5 GGBDMO CC[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000067547778 1409155779 /nfs/dbraw/zinc/15/57/79/1409155779.db2.gz GQMMRDLBUCMMIM-QGZVFWFLSA-N 1 1 383.448 3.170 20 5 GGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067735039 1409217348 /nfs/dbraw/zinc/21/73/48/1409217348.db2.gz ZDZPQQCMFDNICJ-IBGZPJMESA-N 1 1 382.464 3.306 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000067785759 1409231420 /nfs/dbraw/zinc/23/14/20/1409231420.db2.gz PQNSYQNQLOVACV-KRWDZBQOSA-N 1 1 391.855 3.436 20 5 GGBDMO CC[C@@H](CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000067809793 1409236029 /nfs/dbraw/zinc/23/60/29/1409236029.db2.gz YHTBZKHPKDFLRU-IBGZPJMESA-N 1 1 397.475 3.099 20 5 GGBDMO COc1ccc(CC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067900554 1409252136 /nfs/dbraw/zinc/25/21/36/1409252136.db2.gz AQUZXYXBXPWRQB-QGZVFWFLSA-N 1 1 391.855 3.218 20 5 GGBDMO COc1ccc(CC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067907159 1409253513 /nfs/dbraw/zinc/25/35/13/1409253513.db2.gz VMPIQCMCRHYZFU-IYBDPMFKSA-N 1 1 377.485 3.020 20 5 GGBDMO CS(=O)(=O)c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000067948655 1409262027 /nfs/dbraw/zinc/26/20/27/1409262027.db2.gz GZIQQPVCRCDGTL-INIZCTEOSA-N 1 1 395.506 3.309 20 5 GGBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccncc21 ZINC000067949273 1409262152 /nfs/dbraw/zinc/26/21/52/1409262152.db2.gz RQOFXTHPMGWWGU-KRWDZBQOSA-N 1 1 378.432 3.456 20 5 GGBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c2ccncc21 ZINC000067949273 1409262158 /nfs/dbraw/zinc/26/21/58/1409262158.db2.gz RQOFXTHPMGWWGU-KRWDZBQOSA-N 1 1 378.432 3.456 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068085488 1409295617 /nfs/dbraw/zinc/29/56/17/1409295617.db2.gz IESBBWHJKMSNCX-OKILXGFUSA-N 1 1 392.456 3.299 20 5 GGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000068265596 1409345824 /nfs/dbraw/zinc/34/58/24/1409345824.db2.gz QABILFYMVYUOFV-BXUZGUMPSA-N 1 1 381.816 3.028 20 5 GGBDMO O=C(CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000068371947 1409382228 /nfs/dbraw/zinc/38/22/28/1409382228.db2.gz URIIXSAMNWCVOO-MRXNPFEDSA-N 1 1 396.447 3.274 20 5 GGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000176698294 1428417089 /nfs/dbraw/zinc/41/70/89/1428417089.db2.gz BIRLVSFXLZDNNV-OWCLPIDISA-N 1 1 395.525 3.081 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000069501215 1409644981 /nfs/dbraw/zinc/64/49/81/1409644981.db2.gz CJPGLIZDAKRNMC-UHFFFAOYSA-N 1 1 393.484 3.387 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000070751675 1409766491 /nfs/dbraw/zinc/76/64/91/1409766491.db2.gz JLVRMNVLMSJKLX-MRXNPFEDSA-N 1 1 392.799 3.189 20 5 GGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)C1 ZINC000071906931 1409830097 /nfs/dbraw/zinc/83/00/97/1409830097.db2.gz RHJUHZJHSWFLQK-HNNXBMFYSA-N 1 1 382.464 3.339 20 5 GGBDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)CCO1 ZINC000072033175 1409839040 /nfs/dbraw/zinc/83/90/40/1409839040.db2.gz VBUDSASYKNXLOO-HNNXBMFYSA-N 1 1 384.436 3.137 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)CCO1 ZINC000072033175 1409839041 /nfs/dbraw/zinc/83/90/41/1409839041.db2.gz VBUDSASYKNXLOO-HNNXBMFYSA-N 1 1 384.436 3.137 20 5 GGBDMO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1[N+](=O)[O-] ZINC000072032903 1409839254 /nfs/dbraw/zinc/83/92/54/1409839254.db2.gz DDWDXDKQDBDPPK-UHFFFAOYSA-N 1 1 384.367 3.167 20 5 GGBDMO O=C(Oc1ccccc1)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000072074126 1409846071 /nfs/dbraw/zinc/84/60/71/1409846071.db2.gz YLEMCIIPSJZGFC-UHFFFAOYSA-N 1 1 385.420 3.180 20 5 GGBDMO O=C(Oc1ccccc1)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000072074126 1409846076 /nfs/dbraw/zinc/84/60/76/1409846076.db2.gz YLEMCIIPSJZGFC-UHFFFAOYSA-N 1 1 385.420 3.180 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000091772527 1410080004 /nfs/dbraw/zinc/08/00/04/1410080004.db2.gz MPVCYWPGEXEPKH-GFCCVEGCSA-N 1 1 378.347 3.155 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000091772527 1410080010 /nfs/dbraw/zinc/08/00/10/1410080010.db2.gz MPVCYWPGEXEPKH-GFCCVEGCSA-N 1 1 378.347 3.155 20 5 GGBDMO Cc1noc([C@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000091832194 1410084261 /nfs/dbraw/zinc/08/42/61/1410084261.db2.gz SNXTZSFCZOKIEG-HNNXBMFYSA-N 1 1 382.424 3.066 20 5 GGBDMO NC(=O)c1ccc(C[NH+]2CCC(OCc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000091868969 1410087988 /nfs/dbraw/zinc/08/79/88/1410087988.db2.gz KKRRUKLPRZRYEB-UHFFFAOYSA-N 1 1 387.411 3.014 20 5 GGBDMO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000092066563 1410103826 /nfs/dbraw/zinc/10/38/26/1410103826.db2.gz PIBHSSLIFQAVLV-RHSMWYFYSA-N 1 1 375.469 3.061 20 5 GGBDMO COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000092066565 1410104063 /nfs/dbraw/zinc/10/40/63/1410104063.db2.gz PIBHSSLIFQAVLV-PBHICJAKSA-N 1 1 375.469 3.061 20 5 GGBDMO Cc1cc(F)cc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000176783791 1428459773 /nfs/dbraw/zinc/45/97/73/1428459773.db2.gz CPODCUNYNYYATJ-UHFFFAOYSA-N 1 1 387.411 3.169 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000092471078 1410159826 /nfs/dbraw/zinc/15/98/26/1410159826.db2.gz SBSQIUIUZBFLCX-HXUWFJFHSA-N 1 1 378.432 3.404 20 5 GGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092730937 1410195161 /nfs/dbraw/zinc/19/51/61/1410195161.db2.gz RLCAHWVKHFJLHM-LSDHHAIUSA-N 1 1 393.484 3.129 20 5 GGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)o1 ZINC000093017529 1410218233 /nfs/dbraw/zinc/21/82/33/1410218233.db2.gz BZSIWJHXTOOYHU-QGZVFWFLSA-N 1 1 385.464 3.399 20 5 GGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000093134540 1410225548 /nfs/dbraw/zinc/22/55/48/1410225548.db2.gz XYMLYBHGPUNAHJ-LBPRGKRZSA-N 1 1 393.394 3.114 20 5 GGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000093134540 1410225558 /nfs/dbraw/zinc/22/55/58/1410225558.db2.gz XYMLYBHGPUNAHJ-LBPRGKRZSA-N 1 1 393.394 3.114 20 5 GGBDMO COc1cc(C[N@@H+](C)CC2CCOCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093314690 1410233814 /nfs/dbraw/zinc/23/38/14/1410233814.db2.gz WKUVAHZUGQKBNN-UHFFFAOYSA-N 1 1 392.374 3.403 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1ccc3c(c1)OCCO3)CC2 ZINC000093338413 1410236296 /nfs/dbraw/zinc/23/62/96/1410236296.db2.gz NRWCXSAMRAHZDX-UHFFFAOYSA-N 1 1 392.415 3.314 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1ccc3c(c1)OCCO3)CC2 ZINC000093338413 1410236309 /nfs/dbraw/zinc/23/63/09/1410236309.db2.gz NRWCXSAMRAHZDX-UHFFFAOYSA-N 1 1 392.415 3.314 20 5 GGBDMO Cn1cc(C[N@@H+](CCO)CCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093389512 1410242100 /nfs/dbraw/zinc/24/21/00/1410242100.db2.gz DUNBSHUOOYFPDQ-UHFFFAOYSA-N 1 1 380.448 3.032 20 5 GGBDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000093415280 1410244715 /nfs/dbraw/zinc/24/47/15/1410244715.db2.gz GFMJCEQUNNYOAS-HXUWFJFHSA-N 1 1 396.447 3.169 20 5 GGBDMO COCC[N@@H+]1[C@H](C)CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000093478703 1410248618 /nfs/dbraw/zinc/24/86/18/1410248618.db2.gz RBESRQHCNVTLGU-GASCZTMLSA-N 1 1 390.509 3.259 20 5 GGBDMO COc1cc2c(c(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c1)O[C@H](C)C2 ZINC000093534239 1410250949 /nfs/dbraw/zinc/25/09/49/1410250949.db2.gz HAFDWKMUZVHWTE-CJNGLKHVSA-N 1 1 384.436 3.008 20 5 GGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1-c1ccccc1 ZINC000093534447 1410251183 /nfs/dbraw/zinc/25/11/83/1410251183.db2.gz UYVTWGDEHCKILJ-INIZCTEOSA-N 1 1 378.436 3.170 20 5 GGBDMO COc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1OC(C)C ZINC000093534628 1410251733 /nfs/dbraw/zinc/25/17/33/1410251733.db2.gz JVZZIUIRVMWPAV-MRXNPFEDSA-N 1 1 386.452 3.472 20 5 GGBDMO CCCOc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000093534602 1410252060 /nfs/dbraw/zinc/25/20/60/1410252060.db2.gz LCNBYDQCYBHKBI-MRXNPFEDSA-N 1 1 386.452 3.474 20 5 GGBDMO CCCOc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000093534598 1410252079 /nfs/dbraw/zinc/25/20/79/1410252079.db2.gz LCNBYDQCYBHKBI-INIZCTEOSA-N 1 1 386.452 3.474 20 5 GGBDMO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093610646 1410255221 /nfs/dbraw/zinc/25/52/21/1410255221.db2.gz GDIVPVUYEFEOLA-CYBMUJFWSA-N 1 1 376.434 3.335 20 5 GGBDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093610646 1410255225 /nfs/dbraw/zinc/25/52/25/1410255225.db2.gz GDIVPVUYEFEOLA-CYBMUJFWSA-N 1 1 376.434 3.335 20 5 GGBDMO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093610647 1410255514 /nfs/dbraw/zinc/25/55/14/1410255514.db2.gz GDIVPVUYEFEOLA-ZDUSSCGKSA-N 1 1 376.434 3.335 20 5 GGBDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093610647 1410255521 /nfs/dbraw/zinc/25/55/21/1410255521.db2.gz GDIVPVUYEFEOLA-ZDUSSCGKSA-N 1 1 376.434 3.335 20 5 GGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)s1 ZINC000093664533 1410258325 /nfs/dbraw/zinc/25/83/25/1410258325.db2.gz MDZIOUAQGDIYRI-INIZCTEOSA-N 1 1 387.505 3.477 20 5 GGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)s1 ZINC000093664532 1410258450 /nfs/dbraw/zinc/25/84/50/1410258450.db2.gz MDZIOUAQGDIYRI-MRXNPFEDSA-N 1 1 387.505 3.477 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](CN4CCOCC4)C3)s2)cc1 ZINC000093664068 1410258639 /nfs/dbraw/zinc/25/86/39/1410258639.db2.gz UCTXCJYTTCQTFH-MRXNPFEDSA-N 1 1 387.505 3.477 20 5 GGBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000093717970 1410261583 /nfs/dbraw/zinc/26/15/83/1410261583.db2.gz IVUMZQQOAUOGEG-UHFFFAOYSA-N 1 1 375.400 3.484 20 5 GGBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093754971 1410263514 /nfs/dbraw/zinc/26/35/14/1410263514.db2.gz ZVGJNRIPPZDEND-OAHLLOKOSA-N 1 1 390.436 3.348 20 5 GGBDMO CCOC[C@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000093838995 1410273180 /nfs/dbraw/zinc/27/31/80/1410273180.db2.gz IEIDVCDGJCKHFN-LBPRGKRZSA-N 1 1 392.374 3.403 20 5 GGBDMO C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000093844171 1410275448 /nfs/dbraw/zinc/27/54/48/1410275448.db2.gz DPFBZGJHAHYIMG-HZPDHXFCSA-N 1 1 377.485 3.012 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000093910112 1410283830 /nfs/dbraw/zinc/28/38/30/1410283830.db2.gz GMYDEPFWLSGCDC-GJZGRUSLSA-N 1 1 377.485 3.138 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000094017716 1410293004 /nfs/dbraw/zinc/29/30/04/1410293004.db2.gz ASSOJDWHMIPNGY-UHFFFAOYSA-N 1 1 397.475 3.282 20 5 GGBDMO CCc1nc(C[NH+]2CCC(CNc3c([N+](=O)[O-])c(CC)nn3C)CC2)cs1 ZINC000094157947 1410308432 /nfs/dbraw/zinc/30/84/32/1410308432.db2.gz CEZMSGUAMCEHBN-UHFFFAOYSA-N 1 1 392.529 3.234 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000097152752 1410355572 /nfs/dbraw/zinc/35/55/72/1410355572.db2.gz GEPOGWCPKINNDC-GFCCVEGCSA-N 1 1 378.429 3.052 20 5 GGBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000097254879 1410360908 /nfs/dbraw/zinc/36/09/08/1410360908.db2.gz FXEHTNSSJKGYKK-UHFFFAOYSA-N 1 1 385.420 3.173 20 5 GGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1Cc1ccccc1 ZINC000176815928 1428479145 /nfs/dbraw/zinc/47/91/45/1428479145.db2.gz PTPOJFKZBLZSEN-NVXWUHKLSA-N 1 1 382.464 3.302 20 5 GGBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000098099272 1410414791 /nfs/dbraw/zinc/41/47/91/1410414791.db2.gz JFIAFHCZPDXJMR-UHFFFAOYSA-N 1 1 380.408 3.315 20 5 GGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000101608994 1410478287 /nfs/dbraw/zinc/47/82/87/1410478287.db2.gz YURMFPCTRWHZKL-UHFFFAOYSA-N 1 1 396.491 3.445 20 5 GGBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000101920239 1410523917 /nfs/dbraw/zinc/52/39/17/1410523917.db2.gz GKJGCVKGJNHBIL-MRXNPFEDSA-N 1 1 388.399 3.009 20 5 GGBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000101920239 1410523932 /nfs/dbraw/zinc/52/39/32/1410523932.db2.gz GKJGCVKGJNHBIL-MRXNPFEDSA-N 1 1 388.399 3.009 20 5 GGBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101920261 1410524212 /nfs/dbraw/zinc/52/42/12/1410524212.db2.gz BPVBRRCVBHKPBB-INIZCTEOSA-N 1 1 388.399 3.009 20 5 GGBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102230586 1410584073 /nfs/dbraw/zinc/58/40/73/1410584073.db2.gz XDOZAWOQPXVODH-INIZCTEOSA-N 1 1 399.495 3.217 20 5 GGBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102393125 1410619329 /nfs/dbraw/zinc/61/93/29/1410619329.db2.gz FICRPAQUPPYYSV-CYBMUJFWSA-N 1 1 388.815 3.332 20 5 GGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102393125 1410619333 /nfs/dbraw/zinc/61/93/33/1410619333.db2.gz FICRPAQUPPYYSV-CYBMUJFWSA-N 1 1 388.815 3.332 20 5 GGBDMO COCCC[N@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2C1 ZINC000102779271 1410747384 /nfs/dbraw/zinc/74/73/84/1410747384.db2.gz AAEBIIISCXNQGJ-OAHLLOKOSA-N 1 1 398.463 3.386 20 5 GGBDMO CCCCCNC(=O)C1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000103457799 1410859184 /nfs/dbraw/zinc/85/91/84/1410859184.db2.gz CNPDOJUTBNPIFB-UHFFFAOYSA-N 1 1 399.495 3.434 20 5 GGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458174 1410859392 /nfs/dbraw/zinc/85/93/92/1410859392.db2.gz UXZIVRMVMVIVTB-FUHWJXTLSA-N 1 1 399.495 3.433 20 5 GGBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458179 1410859465 /nfs/dbraw/zinc/85/94/65/1410859465.db2.gz UCNQXOIAWTYFPC-KRWDZBQOSA-N 1 1 385.468 3.044 20 5 GGBDMO COc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000104650467 1410916853 /nfs/dbraw/zinc/91/68/53/1410916853.db2.gz OZUPVTYKLMALDP-UHFFFAOYSA-N 1 1 383.448 3.340 20 5 GGBDMO COc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000104650467 1410916867 /nfs/dbraw/zinc/91/68/67/1410916867.db2.gz OZUPVTYKLMALDP-UHFFFAOYSA-N 1 1 383.448 3.340 20 5 GGBDMO COc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000104652490 1410920995 /nfs/dbraw/zinc/92/09/95/1410920995.db2.gz CPORBJJIDANVNH-UHFFFAOYSA-N 1 1 383.448 3.340 20 5 GGBDMO COc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000104652490 1410921036 /nfs/dbraw/zinc/92/10/36/1410921036.db2.gz CPORBJJIDANVNH-UHFFFAOYSA-N 1 1 383.448 3.340 20 5 GGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000104661006 1410922230 /nfs/dbraw/zinc/92/22/30/1410922230.db2.gz BFQWGVFONUNBSK-UHFFFAOYSA-N 1 1 382.464 3.055 20 5 GGBDMO CNC(=O)c1ccc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000104673420 1410925472 /nfs/dbraw/zinc/92/54/72/1410925472.db2.gz YDZWEOGMKQJXFQ-UHFFFAOYSA-N 1 1 394.431 3.284 20 5 GGBDMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104681905 1410926132 /nfs/dbraw/zinc/92/61/32/1410926132.db2.gz MHWGHEKXCSKMSI-MRXNPFEDSA-N 1 1 396.451 3.283 20 5 GGBDMO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CN1CCN(C)CC1 ZINC000105439617 1411066500 /nfs/dbraw/zinc/06/65/00/1411066500.db2.gz YKBYXWVGBRXSCP-MRXNPFEDSA-N 1 1 388.537 3.296 20 5 GGBDMO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000106486485 1411225674 /nfs/dbraw/zinc/22/56/74/1411225674.db2.gz GAALADZZXYXEQR-GOSISDBHSA-N 1 1 397.523 3.088 20 5 GGBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000106788816 1411301679 /nfs/dbraw/zinc/30/16/79/1411301679.db2.gz GCPPSILBNSBUIK-AWEZNQCLSA-N 1 1 386.477 3.465 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000107619476 1411393966 /nfs/dbraw/zinc/39/39/66/1411393966.db2.gz PQTYZMOOTHQVQX-OAHLLOKOSA-N 1 1 382.464 3.481 20 5 GGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000108335682 1411475765 /nfs/dbraw/zinc/47/57/65/1411475765.db2.gz KZJOZRHDORRYAZ-KRWDZBQOSA-N 1 1 382.464 3.279 20 5 GGBDMO C[C@@H](Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000108336704 1411476140 /nfs/dbraw/zinc/47/61/40/1411476140.db2.gz PYOKMIVEEZBSRY-HZPDHXFCSA-N 1 1 397.479 3.235 20 5 GGBDMO C[C@@H](Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000108336697 1411476346 /nfs/dbraw/zinc/47/63/46/1411476346.db2.gz PYOKMIVEEZBSRY-CVEARBPZSA-N 1 1 397.479 3.235 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108349976 1411478808 /nfs/dbraw/zinc/47/88/08/1411478808.db2.gz SYKQFODEYBMDAM-SFHVURJKSA-N 1 1 382.464 3.213 20 5 GGBDMO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1 ZINC000108392526 1411488311 /nfs/dbraw/zinc/48/83/11/1411488311.db2.gz CCRAMCMEMYRBSS-HNNXBMFYSA-N 1 1 379.457 3.213 20 5 GGBDMO CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1 ZINC000108392526 1411488314 /nfs/dbraw/zinc/48/83/14/1411488314.db2.gz CCRAMCMEMYRBSS-HNNXBMFYSA-N 1 1 379.457 3.213 20 5 GGBDMO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000108392549 1411489164 /nfs/dbraw/zinc/48/91/64/1411489164.db2.gz NEPBGOCOFRJLSR-HOCLYGCPSA-N 1 1 379.457 3.212 20 5 GGBDMO CCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000108392549 1411489176 /nfs/dbraw/zinc/48/91/76/1411489176.db2.gz NEPBGOCOFRJLSR-HOCLYGCPSA-N 1 1 379.457 3.212 20 5 GGBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000108783114 1411608518 /nfs/dbraw/zinc/60/85/18/1411608518.db2.gz LMSILELOAWQHQR-KRWDZBQOSA-N 1 1 394.475 3.421 20 5 GGBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000108784886 1411608959 /nfs/dbraw/zinc/60/89/59/1411608959.db2.gz WKLSZWSCGVXNHZ-MRXNPFEDSA-N 1 1 386.496 3.045 20 5 GGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4nnc5ccccn54)C3)nc2c1 ZINC000177091916 1428585293 /nfs/dbraw/zinc/58/52/93/1428585293.db2.gz DDJVLZUEIXZKQK-CYBMUJFWSA-N 1 1 378.392 3.158 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000109313029 1411739078 /nfs/dbraw/zinc/73/90/78/1411739078.db2.gz CJIFIHZXFPADNC-KRWDZBQOSA-N 1 1 386.427 3.256 20 5 GGBDMO Cc1ccc([C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[NH+](C)C)cc1 ZINC000109389761 1411753340 /nfs/dbraw/zinc/75/33/40/1411753340.db2.gz XUWLKPBYTSTEFO-SFHVURJKSA-N 1 1 391.493 3.101 20 5 GGBDMO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000109564116 1411787320 /nfs/dbraw/zinc/78/73/20/1411787320.db2.gz TWOGRBWUZLTMBY-CQSZACIVSA-N 1 1 389.477 3.307 20 5 GGBDMO CCCc1n[nH]c(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000109622071 1411801035 /nfs/dbraw/zinc/80/10/35/1411801035.db2.gz WWHZCNHZYLOFHK-UHFFFAOYSA-N 1 1 399.495 3.255 20 5 GGBDMO CCCc1[nH]nc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000109622071 1411801037 /nfs/dbraw/zinc/80/10/37/1411801037.db2.gz WWHZCNHZYLOFHK-UHFFFAOYSA-N 1 1 399.495 3.255 20 5 GGBDMO CCCc1[nH]nc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000109622071 1411801039 /nfs/dbraw/zinc/80/10/39/1411801039.db2.gz WWHZCNHZYLOFHK-UHFFFAOYSA-N 1 1 399.495 3.255 20 5 GGBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000109692708 1411804379 /nfs/dbraw/zinc/80/43/79/1411804379.db2.gz SDWJHIBBFHSYHY-HNNXBMFYSA-N 1 1 377.489 3.045 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCc3ccccc3)[C@@H]3CCOC3)n2)c1 ZINC000177137463 1428599323 /nfs/dbraw/zinc/59/93/23/1428599323.db2.gz VJRPIURIZFDFHO-LJQANCHMSA-N 1 1 394.431 3.478 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCc3ccccc3)[C@@H]3CCOC3)n2)c1 ZINC000177137463 1428599328 /nfs/dbraw/zinc/59/93/28/1428599328.db2.gz VJRPIURIZFDFHO-LJQANCHMSA-N 1 1 394.431 3.478 20 5 GGBDMO C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N@@H+](C)Cc1ccccc1 ZINC000110350471 1411845979 /nfs/dbraw/zinc/84/59/79/1411845979.db2.gz OFASVOANDHIWGC-INIZCTEOSA-N 1 1 393.447 3.031 20 5 GGBDMO C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+](C)Cc1ccccc1 ZINC000110353013 1411846373 /nfs/dbraw/zinc/84/63/73/1411846373.db2.gz RAFBVQGLSKFEHN-MRXNPFEDSA-N 1 1 393.447 3.031 20 5 GGBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(C)C ZINC000110423905 1411850069 /nfs/dbraw/zinc/85/00/69/1411850069.db2.gz ZOIUHBGRHNSMLP-UHFFFAOYSA-N 1 1 376.501 3.291 20 5 GGBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000110652489 1411862307 /nfs/dbraw/zinc/86/23/07/1411862307.db2.gz FFSYLNOLULOIKZ-AWEZNQCLSA-N 1 1 385.420 3.077 20 5 GGBDMO C[C@H](c1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000110721243 1411865836 /nfs/dbraw/zinc/86/58/36/1411865836.db2.gz QQGUWDLVJKCWJA-OAHLLOKOSA-N 1 1 384.436 3.039 20 5 GGBDMO C[C@@H](c1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000110721241 1411865942 /nfs/dbraw/zinc/86/59/42/1411865942.db2.gz QQGUWDLVJKCWJA-HNNXBMFYSA-N 1 1 384.436 3.039 20 5 GGBDMO CCc1nc(C[NH+]2CCC(CNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000111044521 1411884041 /nfs/dbraw/zinc/88/40/41/1411884041.db2.gz CSDIFQIJNQCAPJ-UHFFFAOYSA-N 1 1 388.493 3.256 20 5 GGBDMO CCc1nc(C[NH+]2CCC(CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000111044008 1411884058 /nfs/dbraw/zinc/88/40/58/1411884058.db2.gz LFKCVEONDAHAJC-UHFFFAOYSA-N 1 1 388.493 3.256 20 5 GGBDMO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCOc4ccccc4)CC3)sc2c1 ZINC000111106831 1411887454 /nfs/dbraw/zinc/88/74/54/1411887454.db2.gz URJDCMYPVWBURP-UHFFFAOYSA-N 1 1 384.461 3.406 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)c1 ZINC000111232034 1411896581 /nfs/dbraw/zinc/89/65/81/1411896581.db2.gz XCQZHQLCXKRQDV-CJNGLKHVSA-N 1 1 385.342 3.180 20 5 GGBDMO CN(C(=O)C[N@H+](Cc1ccccc1)CC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000111261556 1411898373 /nfs/dbraw/zinc/89/83/73/1411898373.db2.gz WIKJQYJCESYPGC-UHFFFAOYSA-N 1 1 397.475 3.486 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177177742 1428616754 /nfs/dbraw/zinc/61/67/54/1428616754.db2.gz GJJUVGXSOODECT-NVXWUHKLSA-N 1 1 386.496 3.186 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000177199072 1428627258 /nfs/dbraw/zinc/62/72/58/1428627258.db2.gz FXDPFOAWBNVFMG-UHFFFAOYSA-N 1 1 381.436 3.251 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nc2ccccc2n1C ZINC000177199072 1428627271 /nfs/dbraw/zinc/62/72/71/1428627271.db2.gz FXDPFOAWBNVFMG-UHFFFAOYSA-N 1 1 381.436 3.251 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)c1ccccc1 ZINC000177210287 1428633541 /nfs/dbraw/zinc/63/35/41/1428633541.db2.gz MEJANVUOFAWZLI-HNNXBMFYSA-N 1 1 394.431 3.378 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)c1ccccc1 ZINC000177210287 1428633556 /nfs/dbraw/zinc/63/35/56/1428633556.db2.gz MEJANVUOFAWZLI-HNNXBMFYSA-N 1 1 394.431 3.378 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000112918542 1412240473 /nfs/dbraw/zinc/24/04/73/1412240473.db2.gz OYYMFWUXLRPVBZ-UHFFFAOYSA-N 1 1 392.456 3.396 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2COc2ccccc2)c([N+](=O)[O-])c1 ZINC000112985017 1412250615 /nfs/dbraw/zinc/25/06/15/1412250615.db2.gz YPHVHSRPYNYHQM-HNNXBMFYSA-N 1 1 385.420 3.085 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2COc2ccccc2)c([N+](=O)[O-])c1 ZINC000112985017 1412250627 /nfs/dbraw/zinc/25/06/27/1412250627.db2.gz YPHVHSRPYNYHQM-HNNXBMFYSA-N 1 1 385.420 3.085 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000113900383 1412348034 /nfs/dbraw/zinc/34/80/34/1412348034.db2.gz NICIVYJEWYREAO-KBPBESRZSA-N 1 1 378.448 3.043 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000113901313 1412348172 /nfs/dbraw/zinc/34/81/72/1412348172.db2.gz WPHGZRBARYYATI-GJZGRUSLSA-N 1 1 390.440 3.230 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000113934722 1412355331 /nfs/dbraw/zinc/35/53/31/1412355331.db2.gz QGDSOFKVRGTEQL-ZWKOTPCHSA-N 1 1 388.512 3.144 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113945229 1412357390 /nfs/dbraw/zinc/35/73/90/1412357390.db2.gz CQFCUFXIEJZSCM-DLBZAZTESA-N 1 1 395.525 3.178 20 5 GGBDMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000113945115 1412357422 /nfs/dbraw/zinc/35/74/22/1412357422.db2.gz ZLGDSYUYGQRFTQ-IRXDYDNUSA-N 1 1 395.525 3.178 20 5 GGBDMO O=C(C[N@@H+](CCO)[C@H]1CCc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000114192619 1412391719 /nfs/dbraw/zinc/39/17/19/1412391719.db2.gz KDOJDGZBMMRUOA-KRWDZBQOSA-N 1 1 389.839 3.169 20 5 GGBDMO O=C(C[N@H+](CCO)[C@H]1CCc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000114192619 1412391724 /nfs/dbraw/zinc/39/17/24/1412391724.db2.gz KDOJDGZBMMRUOA-KRWDZBQOSA-N 1 1 389.839 3.169 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+](CCO)[C@@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000114192052 1412391904 /nfs/dbraw/zinc/39/19/04/1412391904.db2.gz KEWLCVSNPKMEAH-HXUWFJFHSA-N 1 1 383.448 3.214 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+](CCO)[C@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000114192055 1412392079 /nfs/dbraw/zinc/39/20/79/1412392079.db2.gz KEWLCVSNPKMEAH-FQEVSTJZSA-N 1 1 383.448 3.214 20 5 GGBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000114205448 1412394220 /nfs/dbraw/zinc/39/42/20/1412394220.db2.gz CHLKRYBWKMTRGF-UHFFFAOYSA-N 1 1 379.420 3.010 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000114475703 1412441414 /nfs/dbraw/zinc/44/14/14/1412441414.db2.gz UAPYAPOXHCJLMC-UHFFFAOYSA-N 1 1 376.501 3.286 20 5 GGBDMO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000114501639 1412447338 /nfs/dbraw/zinc/44/73/38/1412447338.db2.gz NUFSDOLGFRJLOQ-VXGBXAGGSA-N 1 1 391.399 3.429 20 5 GGBDMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000114644499 1412485052 /nfs/dbraw/zinc/48/50/52/1412485052.db2.gz FQOAUZVRPPSTFM-MRXNPFEDSA-N 1 1 399.447 3.006 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115271012 1412627966 /nfs/dbraw/zinc/62/79/66/1412627966.db2.gz AYEAJAZNCCREHW-RHSMWYFYSA-N 1 1 395.525 3.184 20 5 GGBDMO C[C@H]1CCCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000115435104 1412674569 /nfs/dbraw/zinc/67/45/69/1412674569.db2.gz YBMVODPZHOPYGO-DLBZAZTESA-N 1 1 388.512 3.245 20 5 GGBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000115440811 1412677419 /nfs/dbraw/zinc/67/74/19/1412677419.db2.gz SKVRWHWWGMREJG-QGZVFWFLSA-N 1 1 388.512 3.245 20 5 GGBDMO CC1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)cc2[N+](=O)[O-])CC1 ZINC000115440973 1412678048 /nfs/dbraw/zinc/67/80/48/1412678048.db2.gz JQKLURDNPVCYLA-KRWDZBQOSA-N 1 1 388.512 3.245 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000115487275 1412690217 /nfs/dbraw/zinc/69/02/17/1412690217.db2.gz CWIFBTIQEPDIBV-CZUORRHYSA-N 1 1 383.876 3.115 20 5 GGBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000115554812 1412709507 /nfs/dbraw/zinc/70/95/07/1412709507.db2.gz LLFJPUHXZVRSTG-DZGCQCFKSA-N 1 1 383.404 3.140 20 5 GGBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000115554812 1412709517 /nfs/dbraw/zinc/70/95/17/1412709517.db2.gz LLFJPUHXZVRSTG-DZGCQCFKSA-N 1 1 383.404 3.140 20 5 GGBDMO CCOC(=O)C[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000177296623 1428676430 /nfs/dbraw/zinc/67/64/30/1428676430.db2.gz VDDCFXZFWKXDCW-UHFFFAOYSA-N 1 1 377.441 3.040 20 5 GGBDMO 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C[C@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000177475880 1428758280 /nfs/dbraw/zinc/75/82/80/1428758280.db2.gz MHKXQAQDILHDJO-WMZOPIPTSA-N 1 1 382.464 3.176 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1Cc1ccccc1 ZINC000177477408 1428759076 /nfs/dbraw/zinc/75/90/76/1428759076.db2.gz DGSYRSIRFHHDSC-XJKSGUPXSA-N 1 1 386.427 3.099 20 5 GGBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000177478771 1428759572 /nfs/dbraw/zinc/75/95/72/1428759572.db2.gz NPOLVYNFTFWFEB-ZBFHGGJFSA-N 1 1 385.468 3.053 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000177479042 1428759605 /nfs/dbraw/zinc/75/96/05/1428759605.db2.gz BYONJOYVAZFEIH-HOCLYGCPSA-N 1 1 393.447 3.254 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000177479042 1428759608 /nfs/dbraw/zinc/75/96/08/1428759608.db2.gz BYONJOYVAZFEIH-HOCLYGCPSA-N 1 1 393.447 3.254 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000177479042 1428759613 /nfs/dbraw/zinc/75/96/13/1428759613.db2.gz BYONJOYVAZFEIH-HOCLYGCPSA-N 1 1 393.447 3.254 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120560600 1413843585 /nfs/dbraw/zinc/84/35/85/1413843585.db2.gz AABCFEWRDXBTOJ-UHFFFAOYSA-N 1 1 391.374 3.269 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120560600 1413843586 /nfs/dbraw/zinc/84/35/86/1413843586.db2.gz AABCFEWRDXBTOJ-UHFFFAOYSA-N 1 1 391.374 3.269 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000177478991 1428759777 /nfs/dbraw/zinc/75/97/77/1428759777.db2.gz BYONJOYVAZFEIH-GDBMZVCRSA-N 1 1 393.447 3.254 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000177478991 1428759782 /nfs/dbraw/zinc/75/97/82/1428759782.db2.gz BYONJOYVAZFEIH-GDBMZVCRSA-N 1 1 393.447 3.254 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000177478991 1428759784 /nfs/dbraw/zinc/75/97/84/1428759784.db2.gz BYONJOYVAZFEIH-GDBMZVCRSA-N 1 1 393.447 3.254 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+]2CCc3c(F)cc(F)cc3C2)c([N+](=O)[O-])c1 ZINC000120570104 1413845559 /nfs/dbraw/zinc/84/55/59/1413845559.db2.gz HHISSFRKFHJCFU-UHFFFAOYSA-N 1 1 391.374 3.269 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3c(F)cc(F)cc3C2)c([N+](=O)[O-])c1 ZINC000120570104 1413845561 /nfs/dbraw/zinc/84/55/61/1413845561.db2.gz HHISSFRKFHJCFU-UHFFFAOYSA-N 1 1 391.374 3.269 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000120571625 1413845997 /nfs/dbraw/zinc/84/59/97/1413845997.db2.gz FQGRTILFUSNFFA-SFHVURJKSA-N 1 1 394.431 3.184 20 5 GGBDMO COc1ccc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000177479088 1428760533 /nfs/dbraw/zinc/76/05/33/1428760533.db2.gz ZMAHKDXFAQXPRU-CALCHBBNSA-N 1 1 391.512 3.315 20 5 GGBDMO COc1ccc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000177479088 1428760538 /nfs/dbraw/zinc/76/05/38/1428760538.db2.gz ZMAHKDXFAQXPRU-CALCHBBNSA-N 1 1 391.512 3.315 20 5 GGBDMO Cc1ccc(NCCCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH+]c1 ZINC000120687992 1413875619 /nfs/dbraw/zinc/87/56/19/1413875619.db2.gz ONUUMZLZTHSHCZ-UHFFFAOYSA-N 1 1 383.452 3.474 20 5 GGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000120707348 1413880526 /nfs/dbraw/zinc/88/05/26/1413880526.db2.gz ZCIRIEHZTXLKIX-GFCCVEGCSA-N 1 1 386.399 3.296 20 5 GGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COCc1ccccc1F ZINC000120765116 1413896163 /nfs/dbraw/zinc/89/61/63/1413896163.db2.gz ALULPVTXFNXVGJ-INIZCTEOSA-N 1 1 382.819 3.397 20 5 GGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COCc1ccccc1F ZINC000120765116 1413896167 /nfs/dbraw/zinc/89/61/67/1413896167.db2.gz ALULPVTXFNXVGJ-INIZCTEOSA-N 1 1 382.819 3.397 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121027111 1413981546 /nfs/dbraw/zinc/98/15/46/1413981546.db2.gz QHGLFXLKPRDAJS-KRWDZBQOSA-N 1 1 382.464 3.130 20 5 GGBDMO CC(C)[C@@H](CO)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000121085538 1414002322 /nfs/dbraw/zinc/00/23/22/1414002322.db2.gz GUCOQXQCGNUSNG-OAQYLSRUSA-N 1 1 397.475 3.003 20 5 GGBDMO CC(C)[C@@H](CO)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000121100521 1414007880 /nfs/dbraw/zinc/00/78/80/1414007880.db2.gz OVCAURYTNFBGJX-HXUWFJFHSA-N 1 1 385.464 3.077 20 5 GGBDMO CCCCN(C)C(=O)C1CC[NH+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000121112158 1414011696 /nfs/dbraw/zinc/01/16/96/1414011696.db2.gz QZDZHRPJVVLVHB-UHFFFAOYSA-N 1 1 387.484 3.181 20 5 GGBDMO Cc1nn(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121116931 1414013773 /nfs/dbraw/zinc/01/37/73/1414013773.db2.gz WMEGPSHODTVFQO-UHFFFAOYSA-N 1 1 399.476 3.166 20 5 GGBDMO C[NH+]1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000121123800 1414016249 /nfs/dbraw/zinc/01/62/49/1414016249.db2.gz VNWOWMQMXLKNIS-GOSISDBHSA-N 1 1 388.855 3.175 20 5 GGBDMO COc1ccc(CNC2CC[NH+](C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000121198194 1414041424 /nfs/dbraw/zinc/04/14/24/1414041424.db2.gz FJECZTGTOJAPIU-UHFFFAOYSA-N 1 1 385.464 3.366 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121205708 1414043711 /nfs/dbraw/zinc/04/37/11/1414043711.db2.gz VDTBYERWQAZVMG-INIZCTEOSA-N 1 1 383.448 3.168 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000121221710 1414048686 /nfs/dbraw/zinc/04/86/86/1414048686.db2.gz KTGOCSMZIGWVCO-NRFANRHFSA-N 1 1 383.448 3.479 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000121221710 1414048691 /nfs/dbraw/zinc/04/86/91/1414048691.db2.gz KTGOCSMZIGWVCO-NRFANRHFSA-N 1 1 383.448 3.479 20 5 GGBDMO Cc1nn(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121246008 1414057035 /nfs/dbraw/zinc/05/70/35/1414057035.db2.gz HHUHWGIJARDDSV-GOSISDBHSA-N 1 1 388.468 3.261 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1OC ZINC000177515082 1428778077 /nfs/dbraw/zinc/77/80/77/1428778077.db2.gz NVJPQHZLQAWBCA-UHFFFAOYSA-N 1 1 391.468 3.093 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000121287839 1414072448 /nfs/dbraw/zinc/07/24/48/1414072448.db2.gz JCTRPKUDLQTISN-OAHLLOKOSA-N 1 1 387.411 3.246 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000121287839 1414072454 /nfs/dbraw/zinc/07/24/54/1414072454.db2.gz JCTRPKUDLQTISN-OAHLLOKOSA-N 1 1 387.411 3.246 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)nc1 ZINC000121332515 1414085772 /nfs/dbraw/zinc/08/57/72/1414085772.db2.gz SCYXPPOBODYQQZ-PXNSSMCTSA-N 1 1 398.463 3.234 20 5 GGBDMO O=C(C1CC1)N1CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000121350577 1414091259 /nfs/dbraw/zinc/09/12/59/1414091259.db2.gz IVKUHVWZYQIEFD-UHFFFAOYSA-N 1 1 376.456 3.391 20 5 GGBDMO O=C(C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000121844985 1414276107 /nfs/dbraw/zinc/27/61/07/1414276107.db2.gz DAGVWTIZERDOAD-ZBFHGGJFSA-N 1 1 390.461 3.133 20 5 GGBDMO NC(=O)c1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000121917126 1414307127 /nfs/dbraw/zinc/30/71/27/1414307127.db2.gz MTOJBWZSUUYTPP-FUHWJXTLSA-N 1 1 387.436 3.155 20 5 GGBDMO C[C@@]1(c2ccccc2)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000122002643 1414336686 /nfs/dbraw/zinc/33/66/86/1414336686.db2.gz NSWLGFVGOVFVNI-NRFANRHFSA-N 1 1 397.431 3.140 20 5 GGBDMO C[C@@]1(c2ccccc2)C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000122002643 1414336697 /nfs/dbraw/zinc/33/66/97/1414336697.db2.gz NSWLGFVGOVFVNI-NRFANRHFSA-N 1 1 397.431 3.140 20 5 GGBDMO CCC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1CCOC ZINC000122034751 1414344460 /nfs/dbraw/zinc/34/44/60/1414344460.db2.gz UDPPPORRRJIHBC-LJQANCHMSA-N 1 1 388.468 3.183 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC(F)F ZINC000122283560 1414411585 /nfs/dbraw/zinc/41/15/85/1414411585.db2.gz CLNPHSBEDIJNCS-ZDUSSCGKSA-N 1 1 394.378 3.286 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000122438621 1414459698 /nfs/dbraw/zinc/45/96/98/1414459698.db2.gz ZGFPVHILEPWILS-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000122438621 1414459701 /nfs/dbraw/zinc/45/97/01/1414459701.db2.gz ZGFPVHILEPWILS-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO O=C(C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123709512 1414813200 /nfs/dbraw/zinc/81/32/00/1414813200.db2.gz JZOIPHXIAWRAKZ-KGLIPLIRSA-N 1 1 399.900 3.173 20 5 GGBDMO O=C(C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123709512 1414813202 /nfs/dbraw/zinc/81/32/02/1414813202.db2.gz JZOIPHXIAWRAKZ-KGLIPLIRSA-N 1 1 399.900 3.173 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000124194946 1414905955 /nfs/dbraw/zinc/90/59/55/1414905955.db2.gz XFCFRDHHTPVXAM-QGZVFWFLSA-N 1 1 388.512 3.293 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124220521 1414911861 /nfs/dbraw/zinc/91/18/61/1414911861.db2.gz KRICFXZYTBYHFI-KRWDZBQOSA-N 1 1 383.448 3.497 20 5 GGBDMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1[N+](=O)[O-] ZINC000177742498 1428847680 /nfs/dbraw/zinc/84/76/80/1428847680.db2.gz HSPDSUHRXGPQSF-INIZCTEOSA-N 1 1 384.436 3.158 20 5 GGBDMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1[N+](=O)[O-] ZINC000177742484 1428847877 /nfs/dbraw/zinc/84/78/77/1428847877.db2.gz HSPDSUHRXGPQSF-MRXNPFEDSA-N 1 1 384.436 3.158 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000124328703 1414940708 /nfs/dbraw/zinc/94/07/08/1414940708.db2.gz IIGKTCBZEDRTBH-GOSISDBHSA-N 1 1 379.416 3.436 20 5 GGBDMO CC(C)C[N@@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)CC(C)(C)C ZINC000124540411 1414990119 /nfs/dbraw/zinc/99/01/19/1414990119.db2.gz XGQGDZUPCPNOFN-UHFFFAOYSA-N 1 1 376.457 3.325 20 5 GGBDMO C[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](c2ccccc2)C1 ZINC000124560764 1414994119 /nfs/dbraw/zinc/99/41/19/1414994119.db2.gz MQRZWPMDZKDYIA-SFHVURJKSA-N 1 1 379.420 3.134 20 5 GGBDMO C[N@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](c2ccccc2)C1 ZINC000124560764 1414994121 /nfs/dbraw/zinc/99/41/21/1414994121.db2.gz MQRZWPMDZKDYIA-SFHVURJKSA-N 1 1 379.420 3.134 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000177775236 1428855703 /nfs/dbraw/zinc/85/57/03/1428855703.db2.gz XMZHZUHXIGPAJF-YPMHNXCESA-N 1 1 384.383 3.287 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000177824401 1428865633 /nfs/dbraw/zinc/86/56/33/1428865633.db2.gz GRXZVEKNLIZVBD-INIZCTEOSA-N 1 1 377.441 3.038 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000177824401 1428865635 /nfs/dbraw/zinc/86/56/35/1428865635.db2.gz GRXZVEKNLIZVBD-INIZCTEOSA-N 1 1 377.441 3.038 20 5 GGBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(C)o1 ZINC000125063219 1415102398 /nfs/dbraw/zinc/10/23/98/1415102398.db2.gz YKQKVCPIJUPQNY-UHFFFAOYSA-N 1 1 375.425 3.282 20 5 GGBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C)o1 ZINC000125330248 1415166477 /nfs/dbraw/zinc/16/64/77/1415166477.db2.gz JVAZUHGOLWIAFU-UHFFFAOYSA-N 1 1 375.425 3.282 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126419084 1415446979 /nfs/dbraw/zinc/44/69/79/1415446979.db2.gz GNOCXHQERGYFOY-FQEVSTJZSA-N 1 1 399.447 3.314 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126419084 1415446983 /nfs/dbraw/zinc/44/69/83/1415446983.db2.gz GNOCXHQERGYFOY-FQEVSTJZSA-N 1 1 399.447 3.314 20 5 GGBDMO Cc1c(CC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000126436090 1415452809 /nfs/dbraw/zinc/45/28/09/1415452809.db2.gz OROASFCBABXNFU-LJQANCHMSA-N 1 1 381.476 3.426 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000126531173 1415479485 /nfs/dbraw/zinc/47/94/85/1415479485.db2.gz HWMZOBYTWYWPAE-HXUWFJFHSA-N 1 1 396.491 3.301 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126674609 1415523776 /nfs/dbraw/zinc/52/37/76/1415523776.db2.gz IWDIHHIUMSSCFX-KBXCAEBGSA-N 1 1 377.872 3.266 20 5 GGBDMO COc1ccc(OCC[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000126855680 1415586452 /nfs/dbraw/zinc/58/64/52/1415586452.db2.gz XFNYVDCCQKHBNN-UHFFFAOYSA-N 1 1 384.392 3.164 20 5 GGBDMO COc1ccc(OCC[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000126855680 1415586457 /nfs/dbraw/zinc/58/64/57/1415586457.db2.gz XFNYVDCCQKHBNN-UHFFFAOYSA-N 1 1 384.392 3.164 20 5 GGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000127384346 1415760338 /nfs/dbraw/zinc/76/03/38/1415760338.db2.gz WOOVIQQUQFRIOK-ROUUACIJSA-N 1 1 375.469 3.253 20 5 GGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000127384099 1415760412 /nfs/dbraw/zinc/76/04/12/1415760412.db2.gz WOOVIQQUQFRIOK-ZWKOTPCHSA-N 1 1 375.469 3.253 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000127571292 1415811435 /nfs/dbraw/zinc/81/14/35/1415811435.db2.gz SWVZJTDDXQBESM-YJBOKZPZSA-N 1 1 398.463 3.066 20 5 GGBDMO CCC(CC)[C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[NH+]1CCOCC1 ZINC000127709461 1415837285 /nfs/dbraw/zinc/83/72/85/1415837285.db2.gz NGSJFOMJCCIUNC-GOSISDBHSA-N 1 1 392.500 3.470 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000127825371 1415858099 /nfs/dbraw/zinc/85/80/99/1415858099.db2.gz MHHMNYYVPRZFJX-UHFFFAOYSA-N 1 1 380.408 3.422 20 5 GGBDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000128714603 1416049958 /nfs/dbraw/zinc/04/99/58/1416049958.db2.gz ZGLNXBWOSDZTII-IBGZPJMESA-N 1 1 387.411 3.444 20 5 GGBDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000128714603 1416049964 /nfs/dbraw/zinc/04/99/64/1416049964.db2.gz ZGLNXBWOSDZTII-IBGZPJMESA-N 1 1 387.411 3.444 20 5 GGBDMO O=C(CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128899487 1416096815 /nfs/dbraw/zinc/09/68/15/1416096815.db2.gz VRKNXALNLLOBEW-DYVFJYSZSA-N 1 1 391.399 3.244 20 5 GGBDMO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000129125848 1416151856 /nfs/dbraw/zinc/15/18/56/1416151856.db2.gz RLHUBUYUTBKHJP-DQYPLSBCSA-N 1 1 398.385 3.254 20 5 GGBDMO CC[C@H](O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000129285021 1416185313 /nfs/dbraw/zinc/18/53/13/1416185313.db2.gz PIXGFKDTBYNIDA-KRWDZBQOSA-N 1 1 389.427 3.336 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000129368563 1416197638 /nfs/dbraw/zinc/19/76/38/1416197638.db2.gz BUNKTHXLASHISD-AWEZNQCLSA-N 1 1 395.431 3.118 20 5 GGBDMO C[C@H](c1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000129477871 1416216135 /nfs/dbraw/zinc/21/61/35/1416216135.db2.gz MCAPSPWCXPHMIZ-MRXNPFEDSA-N 1 1 398.463 3.352 20 5 GGBDMO C[N@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](c2ccccc2)C1 ZINC000129497146 1416218798 /nfs/dbraw/zinc/21/87/98/1416218798.db2.gz SANMXDHIEGXQFN-IBGZPJMESA-N 1 1 386.427 3.051 20 5 GGBDMO CN1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](c2ccccc2)C1 ZINC000129497146 1416218802 /nfs/dbraw/zinc/21/88/02/1416218802.db2.gz SANMXDHIEGXQFN-IBGZPJMESA-N 1 1 386.427 3.051 20 5 GGBDMO CN1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](c2ccccc2)C1 ZINC000129497146 1416218807 /nfs/dbraw/zinc/21/88/07/1416218807.db2.gz SANMXDHIEGXQFN-IBGZPJMESA-N 1 1 386.427 3.051 20 5 GGBDMO C[C@@H](CCO)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000129672073 1416246208 /nfs/dbraw/zinc/24/62/08/1416246208.db2.gz DLNZAYFLVMNRQT-HNNXBMFYSA-N 1 1 389.427 3.336 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000129787500 1416264021 /nfs/dbraw/zinc/26/40/21/1416264021.db2.gz NGFUXSGUCYQTRG-UHFFFAOYSA-N 1 1 397.903 3.459 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000129925412 1416286188 /nfs/dbraw/zinc/28/61/88/1416286188.db2.gz IJWRKLGJJTZCPD-CQSZACIVSA-N 1 1 377.466 3.004 20 5 GGBDMO Cc1c([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000129926608 1416286196 /nfs/dbraw/zinc/28/61/96/1416286196.db2.gz OAGNBXYVISQMDC-AWEZNQCLSA-N 1 1 377.466 3.004 20 5 GGBDMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130015197 1416302765 /nfs/dbraw/zinc/30/27/65/1416302765.db2.gz GYFPDSLFWMCEKT-FQEVSTJZSA-N 1 1 384.432 3.202 20 5 GGBDMO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130015197 1416302770 /nfs/dbraw/zinc/30/27/70/1416302770.db2.gz GYFPDSLFWMCEKT-FQEVSTJZSA-N 1 1 384.432 3.202 20 5 GGBDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130099577 1416318143 /nfs/dbraw/zinc/31/81/43/1416318143.db2.gz GXPQSWCFLAQQNU-OAHLLOKOSA-N 1 1 376.434 3.335 20 5 GGBDMO Cc1csc(C2([NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)n1 ZINC000130112200 1416320433 /nfs/dbraw/zinc/32/04/33/1416320433.db2.gz BJRVXYJUUQLBQA-UHFFFAOYSA-N 1 1 395.506 3.193 20 5 GGBDMO Cc1ccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000130178799 1416333619 /nfs/dbraw/zinc/33/36/19/1416333619.db2.gz CFQNJVOFVLSOIR-UHFFFAOYSA-N 1 1 396.491 3.019 20 5 GGBDMO O=c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc2ccc(Cl)cn12 ZINC000130257617 1416347431 /nfs/dbraw/zinc/34/74/31/1416347431.db2.gz ISWZXRSVEDCXLK-UHFFFAOYSA-N 1 1 384.823 3.421 20 5 GGBDMO O=c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc2ccc(Cl)cn12 ZINC000130257617 1416347433 /nfs/dbraw/zinc/34/74/33/1416347433.db2.gz ISWZXRSVEDCXLK-UHFFFAOYSA-N 1 1 384.823 3.421 20 5 GGBDMO CCOC(=O)CC1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000130326070 1416358382 /nfs/dbraw/zinc/35/83/82/1416358382.db2.gz KUQZDMKGGUODNG-CYBMUJFWSA-N 1 1 388.424 3.371 20 5 GGBDMO CCOC(=O)CC1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000130325847 1416358503 /nfs/dbraw/zinc/35/85/03/1416358503.db2.gz KUQZDMKGGUODNG-ZDUSSCGKSA-N 1 1 388.424 3.371 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000130745032 1416440717 /nfs/dbraw/zinc/44/07/17/1416440717.db2.gz UZFBOJJHHDMABR-MRXNPFEDSA-N 1 1 376.501 3.497 20 5 GGBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000130841999 1416464944 /nfs/dbraw/zinc/46/49/44/1416464944.db2.gz UFOZGHPZQMZSQO-MAUKXSAKSA-N 1 1 382.464 3.302 20 5 GGBDMO CN(C)S(=O)(=O)c1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130899453 1416478062 /nfs/dbraw/zinc/47/80/62/1416478062.db2.gz IEOYBAFJCZMAHF-UHFFFAOYSA-N 1 1 389.477 3.010 20 5 GGBDMO CN(C)S(=O)(=O)c1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130899453 1416478063 /nfs/dbraw/zinc/47/80/63/1416478063.db2.gz IEOYBAFJCZMAHF-UHFFFAOYSA-N 1 1 389.477 3.010 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)o2)cc1 ZINC000131105093 1416509530 /nfs/dbraw/zinc/50/95/30/1416509530.db2.gz PRDVRZYYMPDERK-KRWDZBQOSA-N 1 1 385.464 3.399 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000131114775 1416511113 /nfs/dbraw/zinc/51/11/13/1416511113.db2.gz YUYXMNAGUIUTTF-UHFFFAOYSA-N 1 1 397.903 3.459 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)o2)c1 ZINC000131116208 1416511508 /nfs/dbraw/zinc/51/15/08/1416511508.db2.gz SIIVJQXXFJOXMO-QGZVFWFLSA-N 1 1 385.464 3.399 20 5 GGBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000131225911 1416526063 /nfs/dbraw/zinc/52/60/63/1416526063.db2.gz QKWNDUXQJQEVPX-OAHLLOKOSA-N 1 1 381.436 3.438 20 5 GGBDMO Cn1ccnc1COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000131343595 1416542748 /nfs/dbraw/zinc/54/27/48/1416542748.db2.gz ZWQHHOBIEZYPBK-UHFFFAOYSA-N 1 1 378.432 3.466 20 5 GGBDMO Cn1ccnc1COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000131343595 1416542753 /nfs/dbraw/zinc/54/27/53/1416542753.db2.gz ZWQHHOBIEZYPBK-UHFFFAOYSA-N 1 1 378.432 3.466 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000131870651 1416637999 /nfs/dbraw/zinc/63/79/99/1416637999.db2.gz OTVKLGUDZUAOCN-KRWDZBQOSA-N 1 1 396.491 3.397 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000131870429 1416638251 /nfs/dbraw/zinc/63/82/51/1416638251.db2.gz OTVKLGUDZUAOCN-QGZVFWFLSA-N 1 1 396.491 3.397 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000131976418 1416664499 /nfs/dbraw/zinc/66/44/99/1416664499.db2.gz JHCXXAAOHAVBQS-INIZCTEOSA-N 1 1 383.448 3.340 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000131979362 1416665052 /nfs/dbraw/zinc/66/50/52/1416665052.db2.gz BSZCLRDAOWVPRO-QGZVFWFLSA-N 1 1 383.448 3.097 20 5 GGBDMO Cc1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132308859 1416732865 /nfs/dbraw/zinc/73/28/65/1416732865.db2.gz NOPSMAMRXRHENI-GFCCVEGCSA-N 1 1 378.429 3.114 20 5 GGBDMO C[C@@H]1C[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000132489663 1416771720 /nfs/dbraw/zinc/77/17/20/1416771720.db2.gz KLONEEYJFLWVEJ-IEBWSBKVSA-N 1 1 397.475 3.485 20 5 GGBDMO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000132501257 1416773826 /nfs/dbraw/zinc/77/38/26/1416773826.db2.gz WXCMTIWGSDNTLC-WMZOPIPTSA-N 1 1 399.495 3.038 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000132517421 1416776751 /nfs/dbraw/zinc/77/67/51/1416776751.db2.gz RNTSOWGEUJBUPC-INIZCTEOSA-N 1 1 393.447 3.351 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CO[C@@H]1CCCc3ccccc31)CC2 ZINC000132590516 1416789385 /nfs/dbraw/zinc/78/93/85/1416789385.db2.gz FQAQVUJAADGVLD-RBBKRZOGSA-N 1 1 382.460 3.408 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CO[C@@H]1CCCc3ccccc31)CC2 ZINC000132590516 1416789386 /nfs/dbraw/zinc/78/93/86/1416789386.db2.gz FQAQVUJAADGVLD-RBBKRZOGSA-N 1 1 382.460 3.408 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000132594997 1416790078 /nfs/dbraw/zinc/79/00/78/1416790078.db2.gz XPTCZIJAPOUHKW-INIZCTEOSA-N 1 1 377.441 3.038 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000132594997 1416790096 /nfs/dbraw/zinc/79/00/96/1416790096.db2.gz XPTCZIJAPOUHKW-INIZCTEOSA-N 1 1 377.441 3.038 20 5 GGBDMO CCCCNC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCCC1 ZINC000132839127 1416821623 /nfs/dbraw/zinc/82/16/23/1416821623.db2.gz SPWSSYFECWLUCE-UHFFFAOYSA-N 1 1 391.468 3.170 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000132981821 1416838669 /nfs/dbraw/zinc/83/86/69/1416838669.db2.gz WLXIDYREHDBWCR-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133250007 1416870317 /nfs/dbraw/zinc/87/03/17/1416870317.db2.gz BIYXLWGOCKAFPV-UHFFFAOYSA-N 1 1 393.365 3.407 20 5 GGBDMO CCOC(=O)c1ccnc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000133333648 1416879834 /nfs/dbraw/zinc/87/98/34/1416879834.db2.gz FXWMSNDITLBXEY-LBPRGKRZSA-N 1 1 390.465 3.087 20 5 GGBDMO CCOC(=O)c1ccnc(NC[C@H](C)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000133333648 1416879837 /nfs/dbraw/zinc/87/98/37/1416879837.db2.gz FXWMSNDITLBXEY-LBPRGKRZSA-N 1 1 390.465 3.087 20 5 GGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000133433263 1416889285 /nfs/dbraw/zinc/88/92/85/1416889285.db2.gz YJKDBPQHSUETNA-GOSISDBHSA-N 1 1 385.439 3.305 20 5 GGBDMO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+](C)Cc1ccccc1 ZINC000133978866 1417004719 /nfs/dbraw/zinc/00/47/19/1417004719.db2.gz CTEADMDQZCTINF-OAHLLOKOSA-N 1 1 380.448 3.255 20 5 GGBDMO COc1cc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000134013209 1417009830 /nfs/dbraw/zinc/00/98/30/1417009830.db2.gz TWAFLMJFBNTXKH-WMZOPIPTSA-N 1 1 381.432 3.360 20 5 GGBDMO C[C@@H](N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1)C(F)(F)F ZINC000178742339 1429158998 /nfs/dbraw/zinc/15/89/98/1429158998.db2.gz FKQSHCVGBSZADI-CYBMUJFWSA-N 1 1 398.385 3.361 20 5 GGBDMO COc1ccccc1[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000134500486 1417077488 /nfs/dbraw/zinc/07/74/88/1417077488.db2.gz WRZXGUGWABTPOU-MRXNPFEDSA-N 1 1 377.828 3.290 20 5 GGBDMO CC[C@@H](O)C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000134506444 1417078332 /nfs/dbraw/zinc/07/83/32/1417078332.db2.gz RRXMWIINERVYHT-GOSISDBHSA-N 1 1 399.447 3.166 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000134630257 1417101460 /nfs/dbraw/zinc/10/14/60/1417101460.db2.gz YPXVGXGUAYSPAT-HUUCEWRRSA-N 1 1 379.457 3.351 20 5 GGBDMO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000134776788 1417124166 /nfs/dbraw/zinc/12/41/66/1417124166.db2.gz ATBZNNAOWQYOIS-LPHOPBHVSA-N 1 1 387.411 3.261 20 5 GGBDMO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000134776788 1417124171 /nfs/dbraw/zinc/12/41/71/1417124171.db2.gz ATBZNNAOWQYOIS-LPHOPBHVSA-N 1 1 387.411 3.261 20 5 GGBDMO O=C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000134863969 1417135886 /nfs/dbraw/zinc/13/58/86/1417135886.db2.gz PUGSFBYRPLTFFO-CXAGYDPISA-N 1 1 392.887 3.135 20 5 GGBDMO O=C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134929996 1417146961 /nfs/dbraw/zinc/14/69/61/1417146961.db2.gz YCOLDBYNRXLHDS-CXAGYDPISA-N 1 1 392.887 3.135 20 5 GGBDMO CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000135194275 1417185779 /nfs/dbraw/zinc/18/57/79/1417185779.db2.gz LAAKVPQDPPUTPX-QGZVFWFLSA-N 1 1 384.436 3.241 20 5 GGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000136016992 1417286447 /nfs/dbraw/zinc/28/64/47/1417286447.db2.gz QUHNFRXRLZLRRV-VIFPVBQESA-N 1 1 392.681 3.471 20 5 GGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136101325 1417292033 /nfs/dbraw/zinc/29/20/33/1417292033.db2.gz OHQIYOJLNFFOQW-MRXNPFEDSA-N 1 1 385.468 3.022 20 5 GGBDMO CCOc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000136205002 1417300725 /nfs/dbraw/zinc/30/07/25/1417300725.db2.gz YCIKCKHLGCVGET-UHFFFAOYSA-N 1 1 398.463 3.144 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178798458 1429173764 /nfs/dbraw/zinc/17/37/64/1429173764.db2.gz RTZNXTJCFPHLCZ-HHHXNRCGSA-N 1 1 389.477 3.101 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000178805255 1429175611 /nfs/dbraw/zinc/17/56/11/1429175611.db2.gz MTAJDWKKFHCBFI-HHHXNRCGSA-N 1 1 389.477 3.101 20 5 GGBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000136848402 1417349992 /nfs/dbraw/zinc/34/99/92/1417349992.db2.gz BBADQSFPOGJJMF-OKILXGFUSA-N 1 1 395.887 3.210 20 5 GGBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000136849040 1417350131 /nfs/dbraw/zinc/35/01/31/1417350131.db2.gz LFFMOMARRGNCFA-OKILXGFUSA-N 1 1 395.887 3.210 20 5 GGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000136897827 1417353753 /nfs/dbraw/zinc/35/37/53/1417353753.db2.gz KIPHGEHIQBLARA-HXUWFJFHSA-N 1 1 389.883 3.490 20 5 GGBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000136897827 1417353769 /nfs/dbraw/zinc/35/37/69/1417353769.db2.gz KIPHGEHIQBLARA-HXUWFJFHSA-N 1 1 389.883 3.490 20 5 GGBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC(F)F ZINC000136921742 1417355356 /nfs/dbraw/zinc/35/53/56/1417355356.db2.gz MZBWQKNVVVGVCX-OAHLLOKOSA-N 1 1 382.363 3.370 20 5 GGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3c(Br)cccc3C2)c1 ZINC000137063722 1417365909 /nfs/dbraw/zinc/36/59/09/1417365909.db2.gz CXBYJOCDZNKLEY-QGZVFWFLSA-N 1 1 377.238 3.449 20 5 GGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3c(Br)cccc3C2)c1 ZINC000137063722 1417365915 /nfs/dbraw/zinc/36/59/15/1417365915.db2.gz CXBYJOCDZNKLEY-QGZVFWFLSA-N 1 1 377.238 3.449 20 5 GGBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000137268275 1417378665 /nfs/dbraw/zinc/37/86/65/1417378665.db2.gz RBWOIPYPISBGKL-CYBMUJFWSA-N 1 1 381.860 3.012 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000137447598 1417385749 /nfs/dbraw/zinc/38/57/49/1417385749.db2.gz RNTYKRNOSFFSQL-AEFFLSMTSA-N 1 1 383.448 3.143 20 5 GGBDMO COc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000137458252 1417387181 /nfs/dbraw/zinc/38/71/81/1417387181.db2.gz AKAXIQVAFWKAQI-ZBFHGGJFSA-N 1 1 399.447 3.005 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137846630 1417397388 /nfs/dbraw/zinc/39/73/88/1417397388.db2.gz QXIYMNNYLDFJQH-CXAGYDPISA-N 1 1 398.419 3.204 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140141808 1417489167 /nfs/dbraw/zinc/48/91/67/1417489167.db2.gz BMYUTPINMVEAOR-AWEZNQCLSA-N 1 1 389.477 3.307 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140141970 1417489320 /nfs/dbraw/zinc/48/93/20/1417489320.db2.gz BMYUTPINMVEAOR-CQSZACIVSA-N 1 1 389.477 3.307 20 5 GGBDMO CNc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140218296 1417492435 /nfs/dbraw/zinc/49/24/35/1417492435.db2.gz QQCCSTAUXHPHBO-AWEZNQCLSA-N 1 1 388.493 3.340 20 5 GGBDMO CNc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1[N+](=O)[O-] ZINC000143400939 1417631308 /nfs/dbraw/zinc/63/13/08/1417631308.db2.gz CYINNPOUIOVNSO-UHFFFAOYSA-N 1 1 383.383 3.200 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1 ZINC000146997918 1417736313 /nfs/dbraw/zinc/73/63/13/1417736313.db2.gz BVALBHSLDXMZJR-OAQYLSRUSA-N 1 1 397.475 3.416 20 5 GGBDMO C[N@@H+](CCC(=O)OC(C)(C)C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000150935719 1417839321 /nfs/dbraw/zinc/83/93/21/1417839321.db2.gz IUIDZAPEKDCRNI-UHFFFAOYSA-N 1 1 375.425 3.456 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150937557 1417839444 /nfs/dbraw/zinc/83/94/44/1417839444.db2.gz DWYPGXHCRIJHIP-LLVKDONJSA-N 1 1 385.848 3.239 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150937557 1417839447 /nfs/dbraw/zinc/83/94/47/1417839447.db2.gz DWYPGXHCRIJHIP-LLVKDONJSA-N 1 1 385.848 3.239 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000151138613 1417879871 /nfs/dbraw/zinc/87/98/71/1417879871.db2.gz JWSJZRBQVYJJII-CQSZACIVSA-N 1 1 391.468 3.366 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000151248965 1417902974 /nfs/dbraw/zinc/90/29/74/1417902974.db2.gz PDXRYEYWWBNTHJ-JTQLQIEISA-N 1 1 390.665 3.225 20 5 GGBDMO CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151379804 1417942408 /nfs/dbraw/zinc/94/24/08/1417942408.db2.gz GVFXGHRZWMUMLT-PMACEKPBSA-N 1 1 383.448 3.004 20 5 GGBDMO CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151379804 1417942413 /nfs/dbraw/zinc/94/24/13/1417942413.db2.gz GVFXGHRZWMUMLT-PMACEKPBSA-N 1 1 383.448 3.004 20 5 GGBDMO CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151477223 1417992370 /nfs/dbraw/zinc/99/23/70/1417992370.db2.gz OZEXHALZQYKGEU-PZJWPPBQSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151477223 1417992375 /nfs/dbraw/zinc/99/23/75/1417992375.db2.gz OZEXHALZQYKGEU-PZJWPPBQSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151477156 1417993390 /nfs/dbraw/zinc/99/33/90/1417993390.db2.gz OZEXHALZQYKGEU-CTNGQTDRSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151477156 1417993407 /nfs/dbraw/zinc/99/34/07/1417993407.db2.gz OZEXHALZQYKGEU-CTNGQTDRSA-N 1 1 397.475 3.313 20 5 GGBDMO CN(C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000151762180 1418080931 /nfs/dbraw/zinc/08/09/31/1418080931.db2.gz YFDIMEGKHAEDME-IBGZPJMESA-N 1 1 396.447 3.013 20 5 GGBDMO CN(C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000151788189 1418086887 /nfs/dbraw/zinc/08/68/87/1418086887.db2.gz XNGLAIBPOHBCFB-LJQANCHMSA-N 1 1 396.447 3.013 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)o2)cc1 ZINC000151964885 1418107806 /nfs/dbraw/zinc/10/78/06/1418107806.db2.gz PKMRCADZURPBIO-JKSUJKDBSA-N 1 1 384.392 3.326 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)o2)cc1 ZINC000151964885 1418107815 /nfs/dbraw/zinc/10/78/15/1418107815.db2.gz PKMRCADZURPBIO-JKSUJKDBSA-N 1 1 384.392 3.326 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000152075784 1418138476 /nfs/dbraw/zinc/13/84/76/1418138476.db2.gz RFCDQQGBBQOHEY-HNNXBMFYSA-N 1 1 389.402 3.467 20 5 GGBDMO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[N@@H+](C)C1CC1 ZINC000152091046 1418142515 /nfs/dbraw/zinc/14/25/15/1418142515.db2.gz PFWQDOBHJUIQLF-MRVPVSSYSA-N 1 1 390.665 3.223 20 5 GGBDMO O=C(CC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1)N1CCCC1 ZINC000179157716 1429280240 /nfs/dbraw/zinc/28/02/40/1429280240.db2.gz VLUOFFIIOLQGFW-UHFFFAOYSA-N 1 1 398.463 3.474 20 5 GGBDMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179390425 1429355278 /nfs/dbraw/zinc/35/52/78/1429355278.db2.gz NKXXWJIMKOVMRP-UHFFFAOYSA-N 1 1 397.479 3.167 20 5 GGBDMO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCc2sccc2C1 ZINC000179496608 1429394978 /nfs/dbraw/zinc/39/49/78/1429394978.db2.gz XHXCHYQIKILHFT-CYBMUJFWSA-N 1 1 398.488 3.243 20 5 GGBDMO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+]1CCc2sccc2C1 ZINC000179496608 1429394986 /nfs/dbraw/zinc/39/49/86/1429394986.db2.gz XHXCHYQIKILHFT-CYBMUJFWSA-N 1 1 398.488 3.243 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)o2)cc1 ZINC000179514227 1429403953 /nfs/dbraw/zinc/40/39/53/1429403953.db2.gz JOAOSDIILWHAOV-CQSZACIVSA-N 1 1 395.423 3.020 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)o2)cc1 ZINC000179514227 1429403958 /nfs/dbraw/zinc/40/39/58/1429403958.db2.gz JOAOSDIILWHAOV-CQSZACIVSA-N 1 1 395.423 3.020 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516223 1429405183 /nfs/dbraw/zinc/40/51/83/1429405183.db2.gz JKSBOBSZAQYWQX-OAHLLOKOSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179516223 1429405187 /nfs/dbraw/zinc/40/51/87/1429405187.db2.gz JKSBOBSZAQYWQX-OAHLLOKOSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179516223 1429405192 /nfs/dbraw/zinc/40/51/92/1429405192.db2.gz JKSBOBSZAQYWQX-OAHLLOKOSA-N 1 1 398.467 3.107 20 5 GGBDMO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000179604670 1429466889 /nfs/dbraw/zinc/46/68/89/1429466889.db2.gz CFCGRDKLYCSCGO-FNORWQNLSA-N 1 1 397.431 3.340 20 5 GGBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000179604670 1429466894 /nfs/dbraw/zinc/46/68/94/1429466894.db2.gz CFCGRDKLYCSCGO-FNORWQNLSA-N 1 1 397.431 3.340 20 5 GGBDMO CC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1F ZINC000179617402 1429473047 /nfs/dbraw/zinc/47/30/47/1429473047.db2.gz KWXOGWPATRZPMO-CYBMUJFWSA-N 1 1 393.346 3.281 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000152769121 1422241931 /nfs/dbraw/zinc/24/19/31/1422241931.db2.gz GFZCGYWPWLGQIH-INIZCTEOSA-N 1 1 395.525 3.260 20 5 GGBDMO Cc1cccc(NC2CC[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000152975204 1422313673 /nfs/dbraw/zinc/31/36/73/1422313673.db2.gz GAGDYTKXFKZEQB-UHFFFAOYSA-N 1 1 394.475 3.369 20 5 GGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000153115130 1422362156 /nfs/dbraw/zinc/36/21/56/1422362156.db2.gz UNMXZVZXKUOBPM-UHFFFAOYSA-N 1 1 386.408 3.143 20 5 GGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153228395 1422403350 /nfs/dbraw/zinc/40/33/50/1422403350.db2.gz GWHCSKXKHKOVLM-AWEZNQCLSA-N 1 1 399.451 3.183 20 5 GGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C2CC2)c1 ZINC000153322177 1422468959 /nfs/dbraw/zinc/46/89/59/1422468959.db2.gz KEGUWYACRQCIAT-GOSISDBHSA-N 1 1 381.432 3.480 20 5 GGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000153372309 1422501698 /nfs/dbraw/zinc/50/16/98/1422501698.db2.gz AVYHBWMMSKXVJB-SUMWQHHRSA-N 1 1 375.494 3.406 20 5 GGBDMO CN1CC[NH+](Cc2ccc(CNc3ncc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000153587380 1422635179 /nfs/dbraw/zinc/63/51/79/1422635179.db2.gz FRRWHBRAEHQPEQ-UHFFFAOYSA-N 1 1 375.860 3.003 20 5 GGBDMO CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000153600445 1422641040 /nfs/dbraw/zinc/64/10/40/1422641040.db2.gz AJRRIWANIZNPAY-GFCCVEGCSA-N 1 1 391.415 3.258 20 5 GGBDMO Cc1cc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000153612822 1422647925 /nfs/dbraw/zinc/64/79/25/1422647925.db2.gz NBHSWDAMOYUJTH-INIZCTEOSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1cc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000153612822 1422647942 /nfs/dbraw/zinc/64/79/42/1422647942.db2.gz NBHSWDAMOYUJTH-INIZCTEOSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179805497 1429578599 /nfs/dbraw/zinc/57/85/99/1429578599.db2.gz JRWMQANJCGFIHE-QGZVFWFLSA-N 1 1 387.440 3.479 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000153840766 1422792647 /nfs/dbraw/zinc/79/26/47/1422792647.db2.gz CGBMJXHJXHYDOJ-AEFFLSMTSA-N 1 1 395.525 3.011 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+](C)Cc1ccccc1 ZINC000153899315 1422807498 /nfs/dbraw/zinc/80/74/98/1422807498.db2.gz QZKXSBWNESNAQK-HNNXBMFYSA-N 1 1 378.432 3.393 20 5 GGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000153959382 1422817312 /nfs/dbraw/zinc/81/73/12/1422817312.db2.gz NINHBZNCVKKBRB-QZTJIDSGSA-N 1 1 389.452 3.172 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](Oc4ccncc4)C3)o2)c1 ZINC000154019925 1422827002 /nfs/dbraw/zinc/82/70/02/1422827002.db2.gz ISZKHDPJCYEZGJ-GOSISDBHSA-N 1 1 380.404 3.341 20 5 GGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000154032889 1422829067 /nfs/dbraw/zinc/82/90/67/1422829067.db2.gz RWVWJASDTKKHJH-ROUUACIJSA-N 1 1 391.468 3.212 20 5 GGBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccccc2)c[nH]1 ZINC000154050575 1422831756 /nfs/dbraw/zinc/83/17/56/1422831756.db2.gz ZPEKBTZYDQKIAS-UHFFFAOYSA-N 1 1 379.420 3.446 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccccc2)c[nH]1 ZINC000154050575 1422831757 /nfs/dbraw/zinc/83/17/57/1422831757.db2.gz ZPEKBTZYDQKIAS-UHFFFAOYSA-N 1 1 379.420 3.446 20 5 GGBDMO CCOCc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000179818178 1429590572 /nfs/dbraw/zinc/59/05/72/1429590572.db2.gz VXFRAXOCRNBYAX-KRWDZBQOSA-N 1 1 386.452 3.221 20 5 GGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000154254479 1422862487 /nfs/dbraw/zinc/86/24/87/1422862487.db2.gz WCFSFRJNFOGHJU-YOEHRIQHSA-N 1 1 386.477 3.275 20 5 GGBDMO CN1CCO[C@H]([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)C1 ZINC000154341958 1422875741 /nfs/dbraw/zinc/87/57/41/1422875741.db2.gz RSJORAKDEFZBCA-RBUKOAKNSA-N 1 1 375.856 3.410 20 5 GGBDMO O=C(C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1)N1CCCC1 ZINC000179820574 1429592887 /nfs/dbraw/zinc/59/28/87/1429592887.db2.gz FTWSLHXVYFPPDV-UHFFFAOYSA-N 1 1 383.395 3.031 20 5 GGBDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154584116 1422944401 /nfs/dbraw/zinc/94/44/01/1422944401.db2.gz NAJPNFFMNLNBDV-UHFFFAOYSA-N 1 1 389.839 3.375 20 5 GGBDMO COc1ccc(OCC[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c([N+](=O)[O-])c1 ZINC000179827285 1429598619 /nfs/dbraw/zinc/59/86/19/1429598619.db2.gz VNTARAKGFIWWOU-INIZCTEOSA-N 1 1 376.413 3.230 20 5 GGBDMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000154708363 1423008173 /nfs/dbraw/zinc/00/81/73/1423008173.db2.gz XBDLFEFFRDITNN-UHFFFAOYSA-N 1 1 397.401 3.286 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000154805144 1423039791 /nfs/dbraw/zinc/03/97/91/1423039791.db2.gz XMGVFOQFMYWRNP-KDOFPFPSSA-N 1 1 380.448 3.232 20 5 GGBDMO O=C(C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000155054627 1423137020 /nfs/dbraw/zinc/13/70/20/1423137020.db2.gz ZQPJFVASUOKSHZ-GOSISDBHSA-N 1 1 380.448 3.060 20 5 GGBDMO O=C(C[N@H+]1CCC[C@@H](Nc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000155054627 1423137027 /nfs/dbraw/zinc/13/70/27/1423137027.db2.gz ZQPJFVASUOKSHZ-GOSISDBHSA-N 1 1 380.448 3.060 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000155115978 1423174623 /nfs/dbraw/zinc/17/46/23/1423174623.db2.gz AIHCTFGCQFHCIJ-CYBMUJFWSA-N 1 1 397.229 3.375 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000155115883 1423175132 /nfs/dbraw/zinc/17/51/32/1423175132.db2.gz AIHCTFGCQFHCIJ-ZDUSSCGKSA-N 1 1 397.229 3.375 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000155258137 1423280452 /nfs/dbraw/zinc/28/04/52/1423280452.db2.gz NJPFIRPFXKTLEQ-OAHLLOKOSA-N 1 1 393.447 3.208 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000155258137 1423280469 /nfs/dbraw/zinc/28/04/69/1423280469.db2.gz NJPFIRPFXKTLEQ-OAHLLOKOSA-N 1 1 393.447 3.208 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000155258137 1423280489 /nfs/dbraw/zinc/28/04/89/1423280489.db2.gz NJPFIRPFXKTLEQ-OAHLLOKOSA-N 1 1 393.447 3.208 20 5 GGBDMO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000155340607 1423324073 /nfs/dbraw/zinc/32/40/73/1423324073.db2.gz KCBAXJASURDUDR-OAHLLOKOSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000155340607 1423324085 /nfs/dbraw/zinc/32/40/85/1423324085.db2.gz KCBAXJASURDUDR-OAHLLOKOSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000155340697 1423324404 /nfs/dbraw/zinc/32/44/04/1423324404.db2.gz KCBAXJASURDUDR-HNNXBMFYSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000155340697 1423324413 /nfs/dbraw/zinc/32/44/13/1423324413.db2.gz KCBAXJASURDUDR-HNNXBMFYSA-N 1 1 385.420 3.040 20 5 GGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000155371134 1423337530 /nfs/dbraw/zinc/33/75/30/1423337530.db2.gz YISQQSYARDEXQU-YOEHRIQHSA-N 1 1 386.477 3.275 20 5 GGBDMO CN1CCC([N@@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000155504196 1423390308 /nfs/dbraw/zinc/39/03/08/1423390308.db2.gz OENIQAGAWKIPAI-UHFFFAOYSA-N 1 1 393.871 3.397 20 5 GGBDMO C[NH+]1CCC(N(CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000155504196 1423390318 /nfs/dbraw/zinc/39/03/18/1423390318.db2.gz OENIQAGAWKIPAI-UHFFFAOYSA-N 1 1 393.871 3.397 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000179931691 1429648014 /nfs/dbraw/zinc/64/80/14/1429648014.db2.gz NPZDVOQTTOUPAH-NSHDSACASA-N 1 1 377.372 3.040 20 5 GGBDMO COc1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179924826 1429643612 /nfs/dbraw/zinc/64/36/12/1429643612.db2.gz ZQCVWSMBHCBFSC-LBPRGKRZSA-N 1 1 386.395 3.248 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](Cc3ccccc3)[C@H](CO)C3CC3)o2)cc1 ZINC000156006038 1423631012 /nfs/dbraw/zinc/63/10/12/1423631012.db2.gz KSKTVPLBVPMISJ-LJQANCHMSA-N 1 1 394.431 3.418 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](Cc3ccccc3)[C@H](CO)C3CC3)o2)cc1 ZINC000156006038 1423631018 /nfs/dbraw/zinc/63/10/18/1423631018.db2.gz KSKTVPLBVPMISJ-LJQANCHMSA-N 1 1 394.431 3.418 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000156489341 1423817440 /nfs/dbraw/zinc/81/74/40/1423817440.db2.gz XZGNXDFXQRTMTL-INIZCTEOSA-N 1 1 396.447 3.057 20 5 GGBDMO Nc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000156581980 1423831895 /nfs/dbraw/zinc/83/18/95/1423831895.db2.gz MCFQRRYDAMJVRS-HKUYNNGSSA-N 1 1 394.475 3.304 20 5 GGBDMO Nc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000156621203 1423837256 /nfs/dbraw/zinc/83/72/56/1423837256.db2.gz GVUINDNAZXSLTE-QUCCMNQESA-N 1 1 394.475 3.304 20 5 GGBDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000156690092 1423848997 /nfs/dbraw/zinc/84/89/97/1423848997.db2.gz RNKORBOBVKFRJW-UHFFFAOYSA-N 1 1 387.484 3.189 20 5 GGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000157212756 1423957174 /nfs/dbraw/zinc/95/71/74/1423957174.db2.gz JZGBMXOOVNACFJ-YLJYHZDGSA-N 1 1 389.499 3.097 20 5 GGBDMO CCOCC[N@H+](CC)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000157555574 1424036754 /nfs/dbraw/zinc/03/67/54/1424036754.db2.gz RBQJNHQPJYIBCX-CYBMUJFWSA-N 1 1 392.481 3.404 20 5 GGBDMO CCOCC[N@@H+](CC)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000157555574 1424036756 /nfs/dbraw/zinc/03/67/56/1424036756.db2.gz RBQJNHQPJYIBCX-CYBMUJFWSA-N 1 1 392.481 3.404 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000157651566 1424057683 /nfs/dbraw/zinc/05/76/83/1424057683.db2.gz MXWWIBHUXHHVLR-QGZVFWFLSA-N 1 1 389.496 3.477 20 5 GGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000157706483 1424069470 /nfs/dbraw/zinc/06/94/70/1424069470.db2.gz OUOCDLVOBBBSEY-HNNXBMFYSA-N 1 1 395.525 3.328 20 5 GGBDMO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000180020298 1429696578 /nfs/dbraw/zinc/69/65/78/1429696578.db2.gz XGDHISHPASMCEY-UHFFFAOYSA-N 1 1 383.514 3.012 20 5 GGBDMO COc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000157859279 1424106175 /nfs/dbraw/zinc/10/61/75/1424106175.db2.gz OHRAUNOHTDWOTQ-HNNXBMFYSA-N 1 1 399.447 3.430 20 5 GGBDMO Cn1cc(C[NH+]2CCN(c3ccccc3F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157936528 1424123904 /nfs/dbraw/zinc/12/39/04/1424123904.db2.gz SVHMBSJQQIUSAI-UHFFFAOYSA-N 1 1 395.438 3.457 20 5 GGBDMO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000158086098 1424162390 /nfs/dbraw/zinc/16/23/90/1424162390.db2.gz TYUSENIKIRCXJL-CQSZACIVSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000158086098 1424162404 /nfs/dbraw/zinc/16/24/04/1424162404.db2.gz TYUSENIKIRCXJL-CQSZACIVSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000158109579 1424169029 /nfs/dbraw/zinc/16/90/29/1424169029.db2.gz SYVHKELQUFOHHO-GJZGRUSLSA-N 1 1 399.447 3.429 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000158109579 1424169034 /nfs/dbraw/zinc/16/90/34/1424169034.db2.gz SYVHKELQUFOHHO-GJZGRUSLSA-N 1 1 399.447 3.429 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000158124732 1424172919 /nfs/dbraw/zinc/17/29/19/1424172919.db2.gz HLIVZRWFBUEFKL-OAHLLOKOSA-N 1 1 399.447 3.430 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000158124732 1424172924 /nfs/dbraw/zinc/17/29/24/1424172924.db2.gz HLIVZRWFBUEFKL-OAHLLOKOSA-N 1 1 399.447 3.430 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000158124571 1424173181 /nfs/dbraw/zinc/17/31/81/1424173181.db2.gz HLIVZRWFBUEFKL-HNNXBMFYSA-N 1 1 399.447 3.430 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000158124571 1424173185 /nfs/dbraw/zinc/17/31/85/1424173185.db2.gz HLIVZRWFBUEFKL-HNNXBMFYSA-N 1 1 399.447 3.430 20 5 GGBDMO CC[N@@H+](CC(C)(C)O)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000158151754 1424180104 /nfs/dbraw/zinc/18/01/04/1424180104.db2.gz BHAMQXUGXVMXOY-GFCCVEGCSA-N 1 1 392.481 3.138 20 5 GGBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000158292176 1424218852 /nfs/dbraw/zinc/21/88/52/1424218852.db2.gz ODBMIAQUXYWRET-KZNAEPCWSA-N 1 1 387.436 3.061 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[N@@H+]1CCc2sccc2C1 ZINC000158354657 1424234504 /nfs/dbraw/zinc/23/45/04/1424234504.db2.gz DQANWFSLOYVFDM-JTQLQIEISA-N 1 1 381.404 3.111 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[N@H+]1CCc2sccc2C1 ZINC000158354657 1424234510 /nfs/dbraw/zinc/23/45/10/1424234510.db2.gz DQANWFSLOYVFDM-JTQLQIEISA-N 1 1 381.404 3.111 20 5 GGBDMO C[C@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[N@@H+]1CCc2sccc2C1 ZINC000158354798 1424234543 /nfs/dbraw/zinc/23/45/43/1424234543.db2.gz DQANWFSLOYVFDM-SNVBAGLBSA-N 1 1 381.404 3.111 20 5 GGBDMO C[C@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[N@H+]1CCc2sccc2C1 ZINC000158354798 1424234547 /nfs/dbraw/zinc/23/45/47/1424234547.db2.gz DQANWFSLOYVFDM-SNVBAGLBSA-N 1 1 381.404 3.111 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000158437788 1424254213 /nfs/dbraw/zinc/25/42/13/1424254213.db2.gz JTOAMKORWWDITC-HOTGVXAUSA-N 1 1 383.448 3.481 20 5 GGBDMO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000158508055 1424275243 /nfs/dbraw/zinc/27/52/43/1424275243.db2.gz BZHCNLFGVAOBSA-JSGCOSHPSA-N 1 1 385.411 3.121 20 5 GGBDMO O=C(CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000158709768 1424324336 /nfs/dbraw/zinc/32/43/36/1424324336.db2.gz ZENGYOSDZXZTFV-NRFANRHFSA-N 1 1 381.432 3.097 20 5 GGBDMO Cn1cc([C@@]2(C)C[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)cn1 ZINC000159315292 1424482541 /nfs/dbraw/zinc/48/25/41/1424482541.db2.gz JAZVWNZTMVQVRO-HSZRJFAPSA-N 1 1 389.455 3.427 20 5 GGBDMO Cn1cc([C@@]2(C)C[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)cn1 ZINC000159315292 1424482544 /nfs/dbraw/zinc/48/25/44/1424482544.db2.gz JAZVWNZTMVQVRO-HSZRJFAPSA-N 1 1 389.455 3.427 20 5 GGBDMO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000159422786 1424501482 /nfs/dbraw/zinc/50/14/82/1424501482.db2.gz WQEIJENPEQHDTF-INIZCTEOSA-N 1 1 383.514 3.012 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000159820652 1424539693 /nfs/dbraw/zinc/53/96/93/1424539693.db2.gz QAABNXJXLUJRSO-UHFFFAOYSA-N 1 1 386.452 3.130 20 5 GGBDMO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000159931782 1424553832 /nfs/dbraw/zinc/55/38/32/1424553832.db2.gz STILKUFTWCYCDI-WOJBJXKFSA-N 1 1 383.448 3.064 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)nc(C)[nH+]1 ZINC000160203568 1424587161 /nfs/dbraw/zinc/58/71/61/1424587161.db2.gz QKEQTUYGYDNQQU-UHFFFAOYSA-N 1 1 389.843 3.054 20 5 GGBDMO Cc1c(CC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000160420102 1424602980 /nfs/dbraw/zinc/60/29/80/1424602980.db2.gz BVSNVBYYHPRMDX-UHFFFAOYSA-N 1 1 385.439 3.319 20 5 GGBDMO Cc1c(CC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000160420102 1424602984 /nfs/dbraw/zinc/60/29/84/1424602984.db2.gz BVSNVBYYHPRMDX-UHFFFAOYSA-N 1 1 385.439 3.319 20 5 GGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H](C)O1 ZINC000160485757 1424607404 /nfs/dbraw/zinc/60/74/04/1424607404.db2.gz NXHUUNSONJRQEG-GUTXKFCHSA-N 1 1 385.411 3.274 20 5 GGBDMO Cc1ccc([C@@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000161236942 1424668622 /nfs/dbraw/zinc/66/86/22/1424668622.db2.gz NOKRBHLSZSGNIU-MRXNPFEDSA-N 1 1 384.480 3.045 20 5 GGBDMO O=C(NCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000161365774 1424682136 /nfs/dbraw/zinc/68/21/36/1424682136.db2.gz UCXPMQSWBUDZSW-UHFFFAOYSA-N 1 1 393.509 3.082 20 5 GGBDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000161464354 1424693611 /nfs/dbraw/zinc/69/36/11/1424693611.db2.gz HNGRJVYQXUUWCC-CQSZACIVSA-N 1 1 387.436 3.461 20 5 GGBDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000161464354 1424693620 /nfs/dbraw/zinc/69/36/20/1424693620.db2.gz HNGRJVYQXUUWCC-CQSZACIVSA-N 1 1 387.436 3.461 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000161648775 1424732363 /nfs/dbraw/zinc/73/23/63/1424732363.db2.gz GXUIXOVHATXGRR-FQEVSTJZSA-N 1 1 397.475 3.356 20 5 GGBDMO CC(C)NC(=O)c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000161882433 1424787263 /nfs/dbraw/zinc/78/72/63/1424787263.db2.gz YYOUUWWVIMTFAQ-SJLPKXTDSA-N 1 1 386.496 3.186 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000161939596 1424801156 /nfs/dbraw/zinc/80/11/56/1424801156.db2.gz WGKCBWWLMBYVGZ-ZDUSSCGKSA-N 1 1 397.859 3.242 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000161939596 1424801158 /nfs/dbraw/zinc/80/11/58/1424801158.db2.gz WGKCBWWLMBYVGZ-ZDUSSCGKSA-N 1 1 397.859 3.242 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1SC ZINC000161962094 1424803520 /nfs/dbraw/zinc/80/35/20/1424803520.db2.gz PQQJKRZMYGTKTM-ZDUSSCGKSA-N 1 1 381.498 3.033 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000162044378 1424811271 /nfs/dbraw/zinc/81/12/71/1424811271.db2.gz NHGOTOFVEUICEO-AWEZNQCLSA-N 1 1 388.493 3.426 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000162529651 1424862508 /nfs/dbraw/zinc/86/25/08/1424862508.db2.gz HNKZIDZLXUSAHG-IYBDPMFKSA-N 1 1 390.484 3.256 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000162949934 1424911877 /nfs/dbraw/zinc/91/18/77/1424911877.db2.gz FCLBJPMBOXRBLZ-UHFFFAOYSA-N 1 1 382.395 3.395 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000163010255 1424923157 /nfs/dbraw/zinc/92/31/57/1424923157.db2.gz FTKCASWKMIUHBL-CRAIPNDOSA-N 1 1 378.473 3.162 20 5 GGBDMO CC(C)OCCCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163314012 1424977955 /nfs/dbraw/zinc/97/79/55/1424977955.db2.gz BMQBHYLLDWADKQ-UHFFFAOYSA-N 1 1 397.903 3.392 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000163519206 1425011892 /nfs/dbraw/zinc/01/18/92/1425011892.db2.gz ZJSICTVXCHDEFW-MRXNPFEDSA-N 1 1 390.528 3.181 20 5 GGBDMO Cc1c([C@@H](C)[NH2+]CC2CCN(CC(=O)NC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000163519697 1425011946 /nfs/dbraw/zinc/01/19/46/1425011946.db2.gz XBVKYDBWGOOBFE-MRXNPFEDSA-N 1 1 390.528 3.181 20 5 GGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000164090619 1425075607 /nfs/dbraw/zinc/07/56/07/1425075607.db2.gz KLLRJNSRSFJSTA-VQIMIIECSA-N 1 1 386.496 3.141 20 5 GGBDMO O=C1CCc2cc([N+](=O)[O-])c(Nc3cccc(C[NH+]4CCOCC4)c3)cc2N1 ZINC000170640035 1425271180 /nfs/dbraw/zinc/27/11/80/1425271180.db2.gz GVFLEEOUZYNSLL-UHFFFAOYSA-N 1 1 382.420 3.055 20 5 GGBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170647308 1425274389 /nfs/dbraw/zinc/27/43/89/1425274389.db2.gz XJGWMKKMROTBGX-OAHLLOKOSA-N 1 1 379.457 3.210 20 5 GGBDMO COc1ccc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)cc1[N+](=O)[O-] ZINC000170775673 1425336470 /nfs/dbraw/zinc/33/64/70/1425336470.db2.gz GCAMTJYDFHHEBT-UHFFFAOYSA-N 1 1 387.436 3.208 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000170776800 1425337437 /nfs/dbraw/zinc/33/74/37/1425337437.db2.gz DDWAMZXAEILCBN-UHFFFAOYSA-N 1 1 387.436 3.208 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1)C(=O)OC(C)(C)C ZINC000170903464 1425386764 /nfs/dbraw/zinc/38/67/64/1425386764.db2.gz NYMTYZMQDIWUDT-CQSZACIVSA-N 1 1 389.456 3.091 20 5 GGBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(N2CCCC2=O)c1 ZINC000171128663 1425495586 /nfs/dbraw/zinc/49/55/86/1425495586.db2.gz PUSIZAWYPYVYPJ-AWEZNQCLSA-N 1 1 397.431 3.439 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171202615 1425537807 /nfs/dbraw/zinc/53/78/07/1425537807.db2.gz FNHFFEOMVLPMKK-HXUWFJFHSA-N 1 1 397.479 3.186 20 5 GGBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)cc2N1 ZINC000171367683 1425643621 /nfs/dbraw/zinc/64/36/21/1425643621.db2.gz CWTYDROPWKSPRI-QGZVFWFLSA-N 1 1 394.475 3.456 20 5 GGBDMO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171399804 1425662465 /nfs/dbraw/zinc/66/24/65/1425662465.db2.gz HMGFTQSMNNIPIN-CQSZACIVSA-N 1 1 385.468 3.042 20 5 GGBDMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000171590212 1425751236 /nfs/dbraw/zinc/75/12/36/1425751236.db2.gz LFQGGZRADNXBNA-MRXNPFEDSA-N 1 1 383.448 3.051 20 5 GGBDMO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000171881145 1425841661 /nfs/dbraw/zinc/84/16/61/1425841661.db2.gz PFEHRCQBINUXGC-MRXNPFEDSA-N 1 1 393.447 3.031 20 5 GGBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171982284 1425867168 /nfs/dbraw/zinc/86/71/68/1425867168.db2.gz ITOXPOCWLDNZGI-SFHVURJKSA-N 1 1 390.531 3.391 20 5 GGBDMO Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000172015301 1425874166 /nfs/dbraw/zinc/87/41/66/1425874166.db2.gz RGMPXXAMZPMGOF-MRXNPFEDSA-N 1 1 395.506 3.080 20 5 GGBDMO Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000172015297 1425874228 /nfs/dbraw/zinc/87/42/28/1425874228.db2.gz RGMPXXAMZPMGOF-INIZCTEOSA-N 1 1 395.506 3.080 20 5 GGBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000172050102 1425882516 /nfs/dbraw/zinc/88/25/16/1425882516.db2.gz FDCNSSFBVSLLNZ-LBPRGKRZSA-N 1 1 393.896 3.415 20 5 GGBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000172050102 1425882518 /nfs/dbraw/zinc/88/25/18/1425882518.db2.gz FDCNSSFBVSLLNZ-LBPRGKRZSA-N 1 1 393.896 3.415 20 5 GGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCc2cccnc2)CC1 ZINC000172070766 1425888441 /nfs/dbraw/zinc/88/84/41/1425888441.db2.gz AUOSZTMNQYTDTG-UHFFFAOYSA-N 1 1 380.370 3.373 20 5 GGBDMO CC(C)C[N@H+]1CCO[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000172112264 1425899287 /nfs/dbraw/zinc/89/92/87/1425899287.db2.gz DIJDXGMEIGIYOO-GOSISDBHSA-N 1 1 390.509 3.165 20 5 GGBDMO CC(C)OCCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172178535 1425935815 /nfs/dbraw/zinc/93/58/15/1425935815.db2.gz NMLJJEUYAPXVBP-UHFFFAOYSA-N 1 1 397.903 3.392 20 5 GGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000172204363 1425946232 /nfs/dbraw/zinc/94/62/32/1425946232.db2.gz GHOXCWFLTBUJER-LJQANCHMSA-N 1 1 382.464 3.401 20 5 GGBDMO O=C(CN1CCC[N@H+](C2CCCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000172585685 1426098909 /nfs/dbraw/zinc/09/89/09/1426098909.db2.gz DTYOMYUVIMATFF-UHFFFAOYSA-N 1 1 380.876 3.137 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000172698629 1426149415 /nfs/dbraw/zinc/14/94/15/1426149415.db2.gz MAOVCVZJUWGNOS-QGZVFWFLSA-N 1 1 382.464 3.401 20 5 GGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172728800 1426162821 /nfs/dbraw/zinc/16/28/21/1426162821.db2.gz CGVRHCGMQKRDIU-OAQYLSRUSA-N 1 1 397.475 3.233 20 5 GGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172728800 1426162826 /nfs/dbraw/zinc/16/28/26/1426162826.db2.gz CGVRHCGMQKRDIU-OAQYLSRUSA-N 1 1 397.475 3.233 20 5 GGBDMO C[N@H+](CCCOc1ccc(F)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172895182 1426243570 /nfs/dbraw/zinc/24/35/70/1426243570.db2.gz GLZGSTVCXOUUDU-UHFFFAOYSA-N 1 1 385.399 3.351 20 5 GGBDMO C[N@@H+](CCCOc1ccc(F)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172895182 1426243576 /nfs/dbraw/zinc/24/35/76/1426243576.db2.gz GLZGSTVCXOUUDU-UHFFFAOYSA-N 1 1 385.399 3.351 20 5 GGBDMO COc1ccc([C@@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000172899719 1426245732 /nfs/dbraw/zinc/24/57/32/1426245732.db2.gz BMBKKYUIQDSLBC-QGZVFWFLSA-N 1 1 379.420 3.309 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172909664 1426254540 /nfs/dbraw/zinc/25/45/40/1426254540.db2.gz UVQNLDWLKZEJQF-ZWKOTPCHSA-N 1 1 398.511 3.397 20 5 GGBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)nc1-c1ccncc1 ZINC000172971385 1426288405 /nfs/dbraw/zinc/28/84/05/1426288405.db2.gz FLVPYEXAAAMKNC-SFHVURJKSA-N 1 1 393.447 3.350 20 5 GGBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@H](COCc3ccccc3)C2)nc1-c1ccncc1 ZINC000172971385 1426288409 /nfs/dbraw/zinc/28/84/09/1426288409.db2.gz FLVPYEXAAAMKNC-SFHVURJKSA-N 1 1 393.447 3.350 20 5 GGBDMO Cc1cc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000173206616 1426394193 /nfs/dbraw/zinc/39/41/93/1426394193.db2.gz GLNUGAUZWOPSEJ-INIZCTEOSA-N 1 1 382.464 3.222 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1SC ZINC000173276174 1426454049 /nfs/dbraw/zinc/45/40/49/1426454049.db2.gz PCYINLLMJSCDBV-AWEZNQCLSA-N 1 1 393.509 3.320 20 5 GGBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000173348496 1426526730 /nfs/dbraw/zinc/52/67/30/1426526730.db2.gz NSVFDUYCQDSNHP-SFTDATJTSA-N 1 1 398.438 3.403 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000173387694 1426565692 /nfs/dbraw/zinc/56/56/92/1426565692.db2.gz FIRNBDRQMRPYEA-HXUWFJFHSA-N 1 1 383.448 3.214 20 5 GGBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000173411699 1426595259 /nfs/dbraw/zinc/59/52/59/1426595259.db2.gz UGFFIFLWNXLXHI-UHFFFAOYSA-N 1 1 381.476 3.304 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000173431627 1426613371 /nfs/dbraw/zinc/61/33/71/1426613371.db2.gz IGYHWESQLJNFKJ-MAUKXSAKSA-N 1 1 377.485 3.024 20 5 GGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000173435528 1426616707 /nfs/dbraw/zinc/61/67/07/1426616707.db2.gz NUHIJYCKVUUQPT-UHFFFAOYSA-N 1 1 397.391 3.354 20 5 GGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cn3nccc3-c3cccnc3)CC2)cc1 ZINC000173435726 1426617230 /nfs/dbraw/zinc/61/72/30/1426617230.db2.gz PZMGOVIWJPNJAI-UHFFFAOYSA-N 1 1 379.420 3.354 20 5 GGBDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000173462834 1426636684 /nfs/dbraw/zinc/63/66/84/1426636684.db2.gz BBYYBOYVWAGNTM-CVEARBPZSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000173462834 1426636690 /nfs/dbraw/zinc/63/66/90/1426636690.db2.gz BBYYBOYVWAGNTM-CVEARBPZSA-N 1 1 383.452 3.120 20 5 GGBDMO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462689 1426636760 /nfs/dbraw/zinc/63/67/60/1426636760.db2.gz HHZARRLZJNXSBM-ZFWWWQNUSA-N 1 1 380.408 3.287 20 5 GGBDMO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462689 1426636767 /nfs/dbraw/zinc/63/67/67/1426636767.db2.gz HHZARRLZJNXSBM-ZFWWWQNUSA-N 1 1 380.408 3.287 20 5 GGBDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173465827 1426639433 /nfs/dbraw/zinc/63/94/33/1426639433.db2.gz KGLAKKMNOMHJOR-CVEARBPZSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173465827 1426639439 /nfs/dbraw/zinc/63/94/39/1426639439.db2.gz KGLAKKMNOMHJOR-CVEARBPZSA-N 1 1 383.452 3.120 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3coc(-c4cccc(F)c4)n3)C2)nc1 ZINC000173472421 1426647628 /nfs/dbraw/zinc/64/76/28/1426647628.db2.gz CGLDLFVENYLUTE-HNNXBMFYSA-N 1 1 383.383 3.470 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C2)nc1 ZINC000173472421 1426647633 /nfs/dbraw/zinc/64/76/33/1426647633.db2.gz CGLDLFVENYLUTE-HNNXBMFYSA-N 1 1 383.383 3.470 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000173521442 1426694968 /nfs/dbraw/zinc/69/49/68/1426694968.db2.gz XLRAMNCZEHBGLE-INIZCTEOSA-N 1 1 383.448 3.340 20 5 GGBDMO C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000173529993 1426704545 /nfs/dbraw/zinc/70/45/45/1426704545.db2.gz IKCHISOMCXGQBM-QGZVFWFLSA-N 1 1 383.448 3.097 20 5 GGBDMO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000173594153 1426759475 /nfs/dbraw/zinc/75/94/75/1426759475.db2.gz QERVODRFBVQLRE-CQSZACIVSA-N 1 1 386.408 3.143 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173645925 1426808718 /nfs/dbraw/zinc/80/87/18/1426808718.db2.gz HBBJVQPIOOLUIO-HXUWFJFHSA-N 1 1 382.464 3.045 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000173649881 1426810139 /nfs/dbraw/zinc/81/01/39/1426810139.db2.gz GZWPDABPFYCDHH-GOSISDBHSA-N 1 1 383.448 3.380 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000173649881 1426810142 /nfs/dbraw/zinc/81/01/42/1426810142.db2.gz GZWPDABPFYCDHH-GOSISDBHSA-N 1 1 383.448 3.380 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000173765392 1426844475 /nfs/dbraw/zinc/84/44/75/1426844475.db2.gz CDSULLUPYGZRSG-ZWKOTPCHSA-N 1 1 378.860 3.423 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000173765376 1426844491 /nfs/dbraw/zinc/84/44/91/1426844491.db2.gz CDSULLUPYGZRSG-ROUUACIJSA-N 1 1 378.860 3.423 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000173802292 1426855549 /nfs/dbraw/zinc/85/55/49/1426855549.db2.gz HZZWXCFFFPQSRV-SFHVURJKSA-N 1 1 391.515 3.345 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000173804748 1426856061 /nfs/dbraw/zinc/85/60/61/1426856061.db2.gz AOHCGSSFCOPBSZ-ZDUSSCGKSA-N 1 1 381.498 3.129 20 5 GGBDMO CC[C@@](C)([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173950440 1426905624 /nfs/dbraw/zinc/90/56/24/1426905624.db2.gz VDDHEGXDNAVEFN-QGZVFWFLSA-N 1 1 378.454 3.222 20 5 GGBDMO C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000173995764 1426932691 /nfs/dbraw/zinc/93/26/91/1426932691.db2.gz KBEXPMUADMAJBJ-KRWDZBQOSA-N 1 1 382.464 3.130 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000174006371 1426938625 /nfs/dbraw/zinc/93/86/25/1426938625.db2.gz FXZPNWFKEBMXQH-BEFAXECRSA-N 1 1 399.447 3.394 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000174006371 1426938630 /nfs/dbraw/zinc/93/86/30/1426938630.db2.gz FXZPNWFKEBMXQH-BEFAXECRSA-N 1 1 399.447 3.394 20 5 GGBDMO O=C1OCCN1c1cccc2c1CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000174063136 1426981963 /nfs/dbraw/zinc/98/19/63/1426981963.db2.gz AJBPXPJOXJAVQC-UHFFFAOYSA-N 1 1 397.431 3.379 20 5 GGBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000174103152 1427003367 /nfs/dbraw/zinc/00/33/67/1427003367.db2.gz NHNFSBCTHAQVIC-UHFFFAOYSA-N 1 1 376.800 3.001 20 5 GGBDMO CCc1ccc(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000174168894 1427030515 /nfs/dbraw/zinc/03/05/15/1427030515.db2.gz BJAPRWVIPMXBMY-IYBDPMFKSA-N 1 1 389.496 3.119 20 5 GGBDMO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174204495 1427048674 /nfs/dbraw/zinc/04/86/74/1427048674.db2.gz WEMQLJKMFUAQQB-QGZVFWFLSA-N 1 1 375.472 3.182 20 5 GGBDMO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242299 1427065926 /nfs/dbraw/zinc/06/59/26/1427065926.db2.gz LWKVWXVEUKNWGF-IYBDPMFKSA-N 1 1 375.469 3.228 20 5 GGBDMO CC1CCC(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000174243565 1427066316 /nfs/dbraw/zinc/06/63/16/1427066316.db2.gz VAQNQXZBIDNSPN-UHFFFAOYSA-N 1 1 375.469 3.133 20 5 GGBDMO C[C@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000174248184 1427069175 /nfs/dbraw/zinc/06/91/75/1427069175.db2.gz XTLIPYUWMWPBKZ-INIZCTEOSA-N 1 1 383.448 3.315 20 5 GGBDMO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403601 1427142362 /nfs/dbraw/zinc/14/23/62/1427142362.db2.gz RXWWSGCNTIEYOZ-SFHVURJKSA-N 1 1 397.475 3.415 20 5 GGBDMO C[N@H+]1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000174459928 1427166631 /nfs/dbraw/zinc/16/66/31/1427166631.db2.gz DTDGEWKSUICZBT-UHFFFAOYSA-N 1 1 396.285 3.448 20 5 GGBDMO CC1CCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2[N+](=O)[O-])CC1 ZINC000174632698 1427277641 /nfs/dbraw/zinc/27/76/41/1427277641.db2.gz MJLNVBXEWXTGOZ-MSOLQXFVSA-N 1 1 386.496 3.140 20 5 GGBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)CC1 ZINC000174658979 1427293236 /nfs/dbraw/zinc/29/32/36/1427293236.db2.gz NQCKOTURVQQJDQ-FUHWJXTLSA-N 1 1 386.496 3.140 20 5 GGBDMO C[N@@H+](CCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)Cc1ccccc1 ZINC000174673649 1427301937 /nfs/dbraw/zinc/30/19/37/1427301937.db2.gz IEUPLAKZMGNYTL-UHFFFAOYSA-N 1 1 384.436 3.485 20 5 GGBDMO O=[N+]([O-])c1cnn(CCN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000174814893 1427383587 /nfs/dbraw/zinc/38/35/87/1427383587.db2.gz PTLAGOQTDMDLOS-UHFFFAOYSA-N 1 1 397.401 3.018 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000174814893 1427383590 /nfs/dbraw/zinc/38/35/90/1427383590.db2.gz PTLAGOQTDMDLOS-UHFFFAOYSA-N 1 1 397.401 3.018 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000174814893 1427383598 /nfs/dbraw/zinc/38/35/98/1427383598.db2.gz PTLAGOQTDMDLOS-UHFFFAOYSA-N 1 1 397.401 3.018 20 5 GGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828390 1427390371 /nfs/dbraw/zinc/39/03/71/1427390371.db2.gz AZVXPUKIVDSWGJ-UHFFFAOYSA-N 1 1 379.457 3.305 20 5 GGBDMO CN(C(=O)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000174906104 1427439675 /nfs/dbraw/zinc/43/96/75/1427439675.db2.gz RQDGKFQWVRUYNK-OAQYLSRUSA-N 1 1 397.475 3.320 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174949009 1427461516 /nfs/dbraw/zinc/46/15/16/1427461516.db2.gz APESYAJQEIWHKR-KRWDZBQOSA-N 1 1 383.448 3.198 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000174962458 1427468289 /nfs/dbraw/zinc/46/82/89/1427468289.db2.gz BBSOHGQOJLZVDV-UONOGXRCSA-N 1 1 382.892 3.239 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000174960906 1427468357 /nfs/dbraw/zinc/46/83/57/1427468357.db2.gz PYJOVZKPCRUGLY-LJQANCHMSA-N 1 1 397.475 3.344 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000175012471 1427496806 /nfs/dbraw/zinc/49/68/06/1427496806.db2.gz UBQLNVQIDJAIID-UHFFFAOYSA-N 1 1 376.438 3.058 20 5 GGBDMO COc1ccc(NC(=O)C[NH2+]C2(c3nc(C)cs3)CCCC2)c([N+](=O)[O-])c1 ZINC000175018712 1427501335 /nfs/dbraw/zinc/50/13/35/1427501335.db2.gz FPAPXZCTNNRAHW-UHFFFAOYSA-N 1 1 390.465 3.366 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000175020640 1427503525 /nfs/dbraw/zinc/50/35/25/1427503525.db2.gz MQRFTZMYRFUUEN-UHFFFAOYSA-N 1 1 390.465 3.366 20 5 GGBDMO C[N@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000175064380 1427527012 /nfs/dbraw/zinc/52/70/12/1427527012.db2.gz FQAXUYUBJIGMST-UHFFFAOYSA-N 1 1 380.876 3.137 20 5 GGBDMO CN1CC[NH+](Cc2ccc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000175149578 1427569436 /nfs/dbraw/zinc/56/94/36/1427569436.db2.gz HPAXTMRJVUQLBE-UHFFFAOYSA-N 1 1 396.491 3.007 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000175151396 1427570091 /nfs/dbraw/zinc/57/00/91/1427570091.db2.gz VPHWUAMFRMDLPN-CQSZACIVSA-N 1 1 379.457 3.340 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000175151396 1427570094 /nfs/dbraw/zinc/57/00/94/1427570094.db2.gz VPHWUAMFRMDLPN-CQSZACIVSA-N 1 1 379.457 3.340 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000175166082 1427577696 /nfs/dbraw/zinc/57/76/96/1427577696.db2.gz AGRHIMBJLZHOBL-SFHVURJKSA-N 1 1 383.448 3.388 20 5 GGBDMO COc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000175166082 1427577699 /nfs/dbraw/zinc/57/76/99/1427577699.db2.gz AGRHIMBJLZHOBL-SFHVURJKSA-N 1 1 383.448 3.388 20 5 GGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000175202648 1427597324 /nfs/dbraw/zinc/59/73/24/1427597324.db2.gz UJBBMHBOUHPJPK-SFHVURJKSA-N 1 1 376.501 3.433 20 5 GGBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000175338075 1427689195 /nfs/dbraw/zinc/68/91/95/1427689195.db2.gz GDDNXNFPXPZQJX-GJZGRUSLSA-N 1 1 392.500 3.017 20 5 GGBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000175338058 1427689540 /nfs/dbraw/zinc/68/95/40/1427689540.db2.gz GDDNXNFPXPZQJX-GASCZTMLSA-N 1 1 392.500 3.017 20 5 GGBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000175338058 1427689545 /nfs/dbraw/zinc/68/95/45/1427689545.db2.gz GDDNXNFPXPZQJX-GASCZTMLSA-N 1 1 392.500 3.017 20 5 GGBDMO CCC(CC)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000175431232 1427751434 /nfs/dbraw/zinc/75/14/34/1427751434.db2.gz NGQXWEHPFPHSGJ-MRXNPFEDSA-N 1 1 383.876 3.115 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000175456758 1427765231 /nfs/dbraw/zinc/76/52/31/1427765231.db2.gz WELHPSFXMHGVGF-LPHOPBHVSA-N 1 1 382.464 3.447 20 5 GGBDMO C[C@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000175539133 1427808730 /nfs/dbraw/zinc/80/87/30/1427808730.db2.gz BMRKRZDLOOGUBC-OXJNMPFZSA-N 1 1 383.448 3.063 20 5 GGBDMO C[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000175539133 1427808733 /nfs/dbraw/zinc/80/87/33/1427808733.db2.gz BMRKRZDLOOGUBC-OXJNMPFZSA-N 1 1 383.448 3.063 20 5 GGBDMO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000175785639 1427891956 /nfs/dbraw/zinc/89/19/56/1427891956.db2.gz NFSNIWASJJXXIJ-KRWDZBQOSA-N 1 1 382.464 3.080 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000175801326 1427898070 /nfs/dbraw/zinc/89/80/70/1427898070.db2.gz FTVBCXCNXWIZRG-FQEVSTJZSA-N 1 1 396.491 3.301 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175974868 1428007866 /nfs/dbraw/zinc/00/78/66/1428007866.db2.gz HFHHKXNTAIBXPF-IBGZPJMESA-N 1 1 382.464 3.258 20 5 GGBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000176060740 1428059427 /nfs/dbraw/zinc/05/94/27/1428059427.db2.gz PEKKWHPAELXIQE-OKILXGFUSA-N 1 1 395.887 3.210 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176108374 1428087341 /nfs/dbraw/zinc/08/73/41/1428087341.db2.gz VAWCBNRQKWZTMR-IEBWSBKVSA-N 1 1 396.491 3.200 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176136461 1428109974 /nfs/dbraw/zinc/10/99/74/1428109974.db2.gz MFIBIESFJBOQHQ-AEFFLSMTSA-N 1 1 383.448 3.143 20 5 GGBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)COc1cccc2ccccc21 ZINC000176226652 1428178362 /nfs/dbraw/zinc/17/83/62/1428178362.db2.gz LQLWZEFDMZKPKM-SFHVURJKSA-N 1 1 398.463 3.095 20 5 GGBDMO C[C@@]1(O)CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180199788 1429799786 /nfs/dbraw/zinc/79/97/86/1429799786.db2.gz SEYCFZAFLLZUEO-OAQYLSRUSA-N 1 1 378.432 3.404 20 5 GGBDMO CC(C)(O)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000180235050 1429810749 /nfs/dbraw/zinc/81/07/49/1429810749.db2.gz BEDWEKNCMDIZLI-UHFFFAOYSA-N 1 1 382.420 3.418 20 5 GGBDMO CC(C)(O)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000180235050 1429810751 /nfs/dbraw/zinc/81/07/51/1429810751.db2.gz BEDWEKNCMDIZLI-UHFFFAOYSA-N 1 1 382.420 3.418 20 5 GGBDMO Cn1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2cccs2)n1 ZINC000180344959 1429841160 /nfs/dbraw/zinc/84/11/60/1429841160.db2.gz OGSKNNPCURNAEF-CQSZACIVSA-N 1 1 384.465 3.138 20 5 GGBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc3ccccc3c3cccnc23)[C@H](C)C1 ZINC000180383499 1429852400 /nfs/dbraw/zinc/85/24/00/1429852400.db2.gz HRHXWFFUKSKSBN-MRXNPFEDSA-N 1 1 391.471 3.097 20 5 GGBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc3ccccc3c3cccnc23)[C@H](C)C1 ZINC000180383499 1429852401 /nfs/dbraw/zinc/85/24/01/1429852401.db2.gz HRHXWFFUKSKSBN-MRXNPFEDSA-N 1 1 391.471 3.097 20 5 GGBDMO CCCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000180399850 1429857426 /nfs/dbraw/zinc/85/74/26/1429857426.db2.gz TWYLIGUDPMJQCP-LBPRGKRZSA-N 1 1 377.470 3.468 20 5 GGBDMO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180401731 1429858338 /nfs/dbraw/zinc/85/83/38/1429858338.db2.gz YWTDJYHLXRDSMI-NSHDSACASA-N 1 1 377.422 3.122 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000180419263 1429863813 /nfs/dbraw/zinc/86/38/13/1429863813.db2.gz OPFMCDKYICWADM-UHFFFAOYSA-N 1 1 384.480 3.342 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000180419263 1429863817 /nfs/dbraw/zinc/86/38/17/1429863817.db2.gz OPFMCDKYICWADM-UHFFFAOYSA-N 1 1 384.480 3.342 20 5 GGBDMO CCOC(=O)c1sc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180450482 1429872069 /nfs/dbraw/zinc/87/20/69/1429872069.db2.gz BOTOIQDKYWLXDJ-GFCCVEGCSA-N 1 1 391.449 3.431 20 5 GGBDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180526095 1429889939 /nfs/dbraw/zinc/88/99/39/1429889939.db2.gz JRHWRNBXTMOGSV-GFCCVEGCSA-N 1 1 397.884 3.349 20 5 GGBDMO CCOc1ccnc(N2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000180605600 1429928709 /nfs/dbraw/zinc/92/87/09/1429928709.db2.gz BHOHIBHWNCOYNE-VMPITWQZSA-N 1 1 383.452 3.009 20 5 GGBDMO Cn1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180780344 1430035030 /nfs/dbraw/zinc/03/50/30/1430035030.db2.gz AUXAHWMFURVTPJ-UTKZUKDTSA-N 1 1 395.507 3.444 20 5 GGBDMO CCOCCO[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000180787974 1430040239 /nfs/dbraw/zinc/04/02/39/1430040239.db2.gz KQSXFXRRFUHIPI-KRWDZBQOSA-N 1 1 377.466 3.346 20 5 GGBDMO CCOCCO[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000180787974 1430040248 /nfs/dbraw/zinc/04/02/48/1430040248.db2.gz KQSXFXRRFUHIPI-KRWDZBQOSA-N 1 1 377.466 3.346 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)cs2)c1 ZINC000180797797 1430046363 /nfs/dbraw/zinc/04/63/63/1430046363.db2.gz QSFSHJGNHSJXRB-CQSZACIVSA-N 1 1 384.465 3.222 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](Cn4ccnn4)C3)cs2)c1 ZINC000180797797 1430046374 /nfs/dbraw/zinc/04/63/74/1430046374.db2.gz QSFSHJGNHSJXRB-CQSZACIVSA-N 1 1 384.465 3.222 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180850599 1430069343 /nfs/dbraw/zinc/06/93/43/1430069343.db2.gz FWJSPOOFNWWFMJ-RDJZCZTQSA-N 1 1 386.448 3.385 20 5 GGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180930398 1430120676 /nfs/dbraw/zinc/12/06/76/1430120676.db2.gz PRWCHDKSLXZJLE-HNNXBMFYSA-N 1 1 382.464 3.481 20 5 GGBDMO C[C@H](CCO)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000180973766 1430145408 /nfs/dbraw/zinc/14/54/08/1430145408.db2.gz AIFBYMRIDHSARI-OAHLLOKOSA-N 1 1 382.420 3.418 20 5 GGBDMO C[C@H](CCO)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000180973766 1430145417 /nfs/dbraw/zinc/14/54/17/1430145417.db2.gz AIFBYMRIDHSARI-OAHLLOKOSA-N 1 1 382.420 3.418 20 5 GGBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000181215292 1430249529 /nfs/dbraw/zinc/24/95/29/1430249529.db2.gz RNJQSIKICKURPN-HKUYNNGSSA-N 1 1 394.475 3.304 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000181305468 1430268594 /nfs/dbraw/zinc/26/85/94/1430268594.db2.gz QUDNLIZJDFYMBA-YOEHRIQHSA-N 1 1 397.431 3.106 20 5 GGBDMO Cc1cc(NCc2cccnc2N2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181481873 1430307954 /nfs/dbraw/zinc/30/79/54/1430307954.db2.gz BMLQDVLMOOXUEN-UHFFFAOYSA-N 1 1 392.463 3.210 20 5 GGBDMO C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181499384 1430311175 /nfs/dbraw/zinc/31/11/75/1430311175.db2.gz UDUAYRIXNBEXSQ-GOSISDBHSA-N 1 1 385.464 3.067 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181559292 1430320465 /nfs/dbraw/zinc/32/04/65/1430320465.db2.gz OBDLHTNIBSINPM-LJQANCHMSA-N 1 1 383.448 3.175 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181559292 1430320468 /nfs/dbraw/zinc/32/04/68/1430320468.db2.gz OBDLHTNIBSINPM-LJQANCHMSA-N 1 1 383.448 3.175 20 5 GGBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000181570050 1430321583 /nfs/dbraw/zinc/32/15/83/1430321583.db2.gz BCVZTQJMVZBREW-LBPRGKRZSA-N 1 1 387.411 3.472 20 5 GGBDMO C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181634004 1430331679 /nfs/dbraw/zinc/33/16/79/1430331679.db2.gz BLOGQIMDTJNTIK-CVEARBPZSA-N 1 1 397.479 3.163 20 5 GGBDMO C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181637295 1430332782 /nfs/dbraw/zinc/33/27/82/1430332782.db2.gz XFUSCPLMQBOQLV-HOTGVXAUSA-N 1 1 375.469 3.133 20 5 GGBDMO C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181647432 1430334680 /nfs/dbraw/zinc/33/46/80/1430334680.db2.gz RVKSAHNHUWFJPH-RDJZCZTQSA-N 1 1 397.479 3.163 20 5 GGBDMO C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181653726 1430335748 /nfs/dbraw/zinc/33/57/48/1430335748.db2.gz WHDMYCGIFAXGNK-LSDHHAIUSA-N 1 1 377.510 3.456 20 5 GGBDMO CCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000181834280 1430369785 /nfs/dbraw/zinc/36/97/85/1430369785.db2.gz SXPFFWOYIBHONP-GFCCVEGCSA-N 1 1 377.470 3.387 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000181897443 1430379897 /nfs/dbraw/zinc/37/98/97/1430379897.db2.gz MYLFELAQKSIMRJ-INIZCTEOSA-N 1 1 392.452 3.072 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000181897443 1430379902 /nfs/dbraw/zinc/37/99/02/1430379902.db2.gz MYLFELAQKSIMRJ-INIZCTEOSA-N 1 1 392.452 3.072 20 5 GGBDMO COC(=O)[C@@H](C)C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000182070616 1430405620 /nfs/dbraw/zinc/40/56/20/1430405620.db2.gz OYJUJYXXIOXLHG-LBPRGKRZSA-N 1 1 375.450 3.492 20 5 GGBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000182070616 1430405622 /nfs/dbraw/zinc/40/56/22/1430405622.db2.gz OYJUJYXXIOXLHG-LBPRGKRZSA-N 1 1 375.450 3.492 20 5 GGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000182088872 1430409614 /nfs/dbraw/zinc/40/96/14/1430409614.db2.gz GSUXJTKSYJVARE-OAHLLOKOSA-N 1 1 378.432 3.393 20 5 GGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000182428645 1430466459 /nfs/dbraw/zinc/46/64/59/1430466459.db2.gz BZTVAVZVSYVCSS-LBPRGKRZSA-N 1 1 397.884 3.349 20 5 GGBDMO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000182431501 1430466771 /nfs/dbraw/zinc/46/67/71/1430466771.db2.gz VDFDNGUUVCPUBH-QGZVFWFLSA-N 1 1 384.404 3.388 20 5 GGBDMO C[C@@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182462944 1430471619 /nfs/dbraw/zinc/47/16/19/1430471619.db2.gz TYSREKGTUZBPAF-MRXNPFEDSA-N 1 1 385.439 3.224 20 5 GGBDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182463157 1430471862 /nfs/dbraw/zinc/47/18/62/1430471862.db2.gz WMXYNZFYQJYNKX-FZMZJTMJSA-N 1 1 376.413 3.276 20 5 GGBDMO CCC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@H+]1Cc1ccccc1 ZINC000182493499 1430477259 /nfs/dbraw/zinc/47/72/59/1430477259.db2.gz SPQQSUBJQQUFDT-LJQANCHMSA-N 1 1 399.495 3.003 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182548844 1430489001 /nfs/dbraw/zinc/48/90/01/1430489001.db2.gz VPTNIECTCSTTMJ-CABCVRRESA-N 1 1 390.484 3.056 20 5 GGBDMO C[C@@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182620035 1430503815 /nfs/dbraw/zinc/50/38/15/1430503815.db2.gz QIZWOTCXEOOAMI-LSDHHAIUSA-N 1 1 385.439 3.400 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000182696317 1430520024 /nfs/dbraw/zinc/52/00/24/1430520024.db2.gz AJQNZHYMISQTDP-AWEZNQCLSA-N 1 1 389.477 3.394 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000182696317 1430520029 /nfs/dbraw/zinc/52/00/29/1430520029.db2.gz AJQNZHYMISQTDP-AWEZNQCLSA-N 1 1 389.477 3.394 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182867424 1430557571 /nfs/dbraw/zinc/55/75/71/1430557571.db2.gz WTBNVXYQYYXQHA-KBPBESRZSA-N 1 1 376.457 3.378 20 5 GGBDMO Cc1c([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000183001021 1430589589 /nfs/dbraw/zinc/58/95/89/1430589589.db2.gz LUCWSWLQTPHBFI-LBPRGKRZSA-N 1 1 397.410 3.178 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000183020246 1430594551 /nfs/dbraw/zinc/59/45/51/1430594551.db2.gz ZOYMDALDKVWQDJ-CVEARBPZSA-N 1 1 395.525 3.143 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000183032305 1430597162 /nfs/dbraw/zinc/59/71/62/1430597162.db2.gz FKETYPYFJGMIMR-CVEARBPZSA-N 1 1 395.525 3.143 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000183210094 1430648836 /nfs/dbraw/zinc/64/88/36/1430648836.db2.gz ABQPMGBXXYDKPG-INIZCTEOSA-N 1 1 376.384 3.404 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000183210094 1430648842 /nfs/dbraw/zinc/64/88/42/1430648842.db2.gz ABQPMGBXXYDKPG-INIZCTEOSA-N 1 1 376.384 3.404 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183211676 1430649718 /nfs/dbraw/zinc/64/97/18/1430649718.db2.gz HIXLVVZSMKSXOA-OXFYSEKESA-N 1 1 383.448 3.286 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183211676 1430649726 /nfs/dbraw/zinc/64/97/26/1430649726.db2.gz HIXLVVZSMKSXOA-OXFYSEKESA-N 1 1 383.448 3.286 20 5 GGBDMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000183479262 1430722338 /nfs/dbraw/zinc/72/23/38/1430722338.db2.gz QHRORAOVXUUUFA-GFCCVEGCSA-N 1 1 391.399 3.349 20 5 GGBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000183561353 1430742294 /nfs/dbraw/zinc/74/22/94/1430742294.db2.gz NUNGKCVMJZQDLO-UHFFFAOYSA-N 1 1 389.843 3.383 20 5 GGBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000183561353 1430742297 /nfs/dbraw/zinc/74/22/97/1430742297.db2.gz NUNGKCVMJZQDLO-UHFFFAOYSA-N 1 1 389.843 3.383 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccncc1[N+](=O)[O-] ZINC000183591031 1430748959 /nfs/dbraw/zinc/74/89/59/1430748959.db2.gz GQNJTKVFOSXCGN-ZDUSSCGKSA-N 1 1 375.454 3.085 20 5 GGBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000183614960 1430754569 /nfs/dbraw/zinc/75/45/69/1430754569.db2.gz KEDXDENVHMAECS-UHFFFAOYSA-N 1 1 391.431 3.493 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183622128 1430756772 /nfs/dbraw/zinc/75/67/72/1430756772.db2.gz IDFIVBKVBXDGOS-KRWDZBQOSA-N 1 1 383.452 3.366 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183765038 1430788966 /nfs/dbraw/zinc/78/89/66/1430788966.db2.gz PSUGAKVOMYCMLB-IBGZPJMESA-N 1 1 397.475 3.017 20 5 GGBDMO CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183769001 1430790038 /nfs/dbraw/zinc/79/00/38/1430790038.db2.gz QLKARMXTEFJOPT-NRFANRHFSA-N 1 1 396.491 3.154 20 5 GGBDMO Cc1c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000183805501 1430798045 /nfs/dbraw/zinc/79/80/45/1430798045.db2.gz XUGOFNZIUHYRGP-UHFFFAOYSA-N 1 1 386.839 3.336 20 5 GGBDMO CN(C)C(=O)COc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183804209 1430798143 /nfs/dbraw/zinc/79/81/43/1430798143.db2.gz YFPFGJBWQDFBRG-UHFFFAOYSA-N 1 1 377.828 3.005 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183945476 1430816416 /nfs/dbraw/zinc/81/64/16/1430816416.db2.gz HAZXABKHDXQHHF-RYUDHWBXSA-N 1 1 378.454 3.122 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183945476 1430816417 /nfs/dbraw/zinc/81/64/17/1430816417.db2.gz HAZXABKHDXQHHF-RYUDHWBXSA-N 1 1 378.454 3.122 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183945494 1430816501 /nfs/dbraw/zinc/81/65/01/1430816501.db2.gz HAZXABKHDXQHHF-NEPJUHHUSA-N 1 1 378.454 3.122 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183945494 1430816502 /nfs/dbraw/zinc/81/65/02/1430816502.db2.gz HAZXABKHDXQHHF-NEPJUHHUSA-N 1 1 378.454 3.122 20 5 GGBDMO C[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000184066858 1430836919 /nfs/dbraw/zinc/83/69/19/1430836919.db2.gz ZUAUONFKPWUGDK-SIFCLUCFSA-N 1 1 385.439 3.474 20 5 GGBDMO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184182173 1430852126 /nfs/dbraw/zinc/85/21/26/1430852126.db2.gz AZLLHPPRAPJZKJ-QGZVFWFLSA-N 1 1 393.447 3.208 20 5 GGBDMO CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184182173 1430852128 /nfs/dbraw/zinc/85/21/28/1430852128.db2.gz AZLLHPPRAPJZKJ-QGZVFWFLSA-N 1 1 393.447 3.208 20 5 GGBDMO CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184182173 1430852131 /nfs/dbraw/zinc/85/21/31/1430852131.db2.gz AZLLHPPRAPJZKJ-QGZVFWFLSA-N 1 1 393.447 3.208 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c([N+](=O)[O-])cc1F ZINC000184219241 1430857946 /nfs/dbraw/zinc/85/79/46/1430857946.db2.gz YJINWMQMHHXRNS-CYBMUJFWSA-N 1 1 385.399 3.165 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c([N+](=O)[O-])cc1F ZINC000184219241 1430857948 /nfs/dbraw/zinc/85/79/48/1430857948.db2.gz YJINWMQMHHXRNS-CYBMUJFWSA-N 1 1 385.399 3.165 20 5 GGBDMO CCN(C[C@@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000184229468 1430859285 /nfs/dbraw/zinc/85/92/85/1430859285.db2.gz ZBQGMDGGUIMNBY-LBPRGKRZSA-N 1 1 393.381 3.449 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000184229468 1430859286 /nfs/dbraw/zinc/85/92/86/1430859286.db2.gz ZBQGMDGGUIMNBY-LBPRGKRZSA-N 1 1 393.381 3.449 20 5 GGBDMO COc1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c([N+](=O)[O-])cc1F ZINC000184232431 1430859915 /nfs/dbraw/zinc/85/99/15/1430859915.db2.gz JJHSSFNYJTTWIK-INIZCTEOSA-N 1 1 382.432 3.293 20 5 GGBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000184243493 1430861315 /nfs/dbraw/zinc/86/13/15/1430861315.db2.gz IRJHPTFAOVDIDX-UHFFFAOYSA-N 1 1 395.525 3.013 20 5 GGBDMO CCN(CC)C(=O)C1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCCCC1 ZINC000184260512 1430864066 /nfs/dbraw/zinc/86/40/66/1430864066.db2.gz WCKWIXCXFBZBFS-UHFFFAOYSA-N 1 1 381.448 3.403 20 5 GGBDMO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000184264995 1430864658 /nfs/dbraw/zinc/86/46/58/1430864658.db2.gz RCDUOVOGFLQUHZ-SGTLLEGYSA-N 1 1 376.384 3.383 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000184290881 1430869011 /nfs/dbraw/zinc/86/90/11/1430869011.db2.gz ZRIKXMNTVUJLDL-LBPRGKRZSA-N 1 1 375.404 3.118 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000184290881 1430869013 /nfs/dbraw/zinc/86/90/13/1430869013.db2.gz ZRIKXMNTVUJLDL-LBPRGKRZSA-N 1 1 375.404 3.118 20 5 GGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184370487 1430879685 /nfs/dbraw/zinc/87/96/85/1430879685.db2.gz BAQPEMXNTGVGRW-UHFFFAOYSA-N 1 1 388.855 3.106 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184467354 1430890985 /nfs/dbraw/zinc/89/09/85/1430890985.db2.gz ZYHYDQMTKGZLIR-QGZVFWFLSA-N 1 1 382.464 3.161 20 5 GGBDMO CCc1nc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cs1 ZINC000184679059 1430940149 /nfs/dbraw/zinc/94/01/49/1430940149.db2.gz UDDQJPFRJAKQPU-NSHDSACASA-N 1 1 378.454 3.302 20 5 GGBDMO CCc1nc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cs1 ZINC000184679038 1430940280 /nfs/dbraw/zinc/94/02/80/1430940280.db2.gz UDDQJPFRJAKQPU-LLVKDONJSA-N 1 1 378.454 3.302 20 5 GGBDMO CCc1nc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000184748057 1430964818 /nfs/dbraw/zinc/96/48/18/1430964818.db2.gz PAVLSHCPZSLTSY-LLVKDONJSA-N 1 1 378.454 3.302 20 5 GGBDMO O=[N+]([O-])c1ccc(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)c(Cl)c1 ZINC000184768126 1430971460 /nfs/dbraw/zinc/97/14/60/1430971460.db2.gz BIONZQQIBYIOCB-UHFFFAOYSA-N 1 1 381.783 3.384 20 5 GGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000184842985 1431000403 /nfs/dbraw/zinc/00/04/03/1431000403.db2.gz LDKOEFYSHKQZST-SCTDSRPQSA-N 1 1 391.512 3.169 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000185048350 1431049117 /nfs/dbraw/zinc/04/91/17/1431049117.db2.gz KXFCAGJGHGKYRB-LBPRGKRZSA-N 1 1 383.383 3.043 20 5 GGBDMO C[C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000185081737 1431056071 /nfs/dbraw/zinc/05/60/71/1431056071.db2.gz LUOMCWQEIPCFLK-LBPRGKRZSA-N 1 1 377.441 3.073 20 5 GGBDMO C[C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000185081737 1431056075 /nfs/dbraw/zinc/05/60/75/1431056075.db2.gz LUOMCWQEIPCFLK-LBPRGKRZSA-N 1 1 377.441 3.073 20 5 GGBDMO COc1cccc(-c2noc([C@@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000185116557 1431064238 /nfs/dbraw/zinc/06/42/38/1431064238.db2.gz KFSGKAUNOHCRSR-CYBMUJFWSA-N 1 1 384.392 3.383 20 5 GGBDMO COc1cccc(-c2noc([C@H](C)[NH2+]CCOc3ccccc3[N+](=O)[O-])n2)c1 ZINC000185124869 1431066490 /nfs/dbraw/zinc/06/64/90/1431066490.db2.gz RWHREKBLEQYLRS-ZDUSSCGKSA-N 1 1 384.392 3.383 20 5 GGBDMO COc1cccc(-c2noc([C@@H](C)[NH2+]CCOc3ccccc3[N+](=O)[O-])n2)c1 ZINC000185124884 1431066561 /nfs/dbraw/zinc/06/65/61/1431066561.db2.gz RWHREKBLEQYLRS-CYBMUJFWSA-N 1 1 384.392 3.383 20 5 GGBDMO CCC1(CC)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@]1=O ZINC000185252147 1431093970 /nfs/dbraw/zinc/09/39/70/1431093970.db2.gz XTFFELQAVNEQGD-MHZLTWQESA-N 1 1 391.493 3.415 20 5 GGBDMO CCC1(CC)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@]1=O ZINC000185252147 1431093973 /nfs/dbraw/zinc/09/39/73/1431093973.db2.gz XTFFELQAVNEQGD-MHZLTWQESA-N 1 1 391.493 3.415 20 5 GGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000185442051 1431146214 /nfs/dbraw/zinc/14/62/14/1431146214.db2.gz IPBDBDXZILHOGD-AWEZNQCLSA-N 1 1 389.477 3.402 20 5 GGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000185462218 1431150415 /nfs/dbraw/zinc/15/04/15/1431150415.db2.gz AFXVMXSKVPFODX-HNNXBMFYSA-N 1 1 388.493 3.364 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(O)(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000185476643 1431153672 /nfs/dbraw/zinc/15/36/72/1431153672.db2.gz RSXCDYAVTBWKMH-MRXNPFEDSA-N 1 1 383.448 3.214 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185493752 1431157123 /nfs/dbraw/zinc/15/71/23/1431157123.db2.gz GUOQNFJLBRLLED-OAHLLOKOSA-N 1 1 388.493 3.282 20 5 GGBDMO COc1cccc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185531984 1431165342 /nfs/dbraw/zinc/16/53/42/1431165342.db2.gz YRDZIEARRYCDJI-IYBDPMFKSA-N 1 1 377.485 3.319 20 5 GGBDMO COC(=O)[C@H](C)Oc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000185649765 1431195729 /nfs/dbraw/zinc/19/57/29/1431195729.db2.gz OJGNEYTYSVBAOO-LBPRGKRZSA-N 1 1 378.812 3.478 20 5 GGBDMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000185664249 1431199606 /nfs/dbraw/zinc/19/96/06/1431199606.db2.gz HHJPNCRZRMHSIC-LBPRGKRZSA-N 1 1 385.376 3.139 20 5 GGBDMO C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669783 1431201185 /nfs/dbraw/zinc/20/11/85/1431201185.db2.gz VRRKKBPHUYXCGT-KGLIPLIRSA-N 1 1 394.903 3.429 20 5 GGBDMO C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185689749 1431206855 /nfs/dbraw/zinc/20/68/55/1431206855.db2.gz WUILGIXWGOFZKM-GOEBONIOSA-N 1 1 385.468 3.387 20 5 GGBDMO COc1ccc(OCCN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000185695182 1431208347 /nfs/dbraw/zinc/20/83/47/1431208347.db2.gz REJGYLCWEAXYPN-JKSUJKDBSA-N 1 1 377.485 3.225 20 5 GGBDMO COc1ccc(OCCN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000185695182 1431208354 /nfs/dbraw/zinc/20/83/54/1431208354.db2.gz REJGYLCWEAXYPN-JKSUJKDBSA-N 1 1 377.485 3.225 20 5 GGBDMO C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720121 1431214909 /nfs/dbraw/zinc/21/49/09/1431214909.db2.gz BUGJBKLJDNVZDL-GOEBONIOSA-N 1 1 385.468 3.387 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729136 1431217383 /nfs/dbraw/zinc/21/73/83/1431217383.db2.gz YPINAUVXJACSLP-GVDBMIGSSA-N 1 1 388.512 3.473 20 5 GGBDMO C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754281 1431225451 /nfs/dbraw/zinc/22/54/51/1431225451.db2.gz GTKGXOOJSMHCLI-GDBMZVCRSA-N 1 1 385.468 3.387 20 5 GGBDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000185874728 1431258974 /nfs/dbraw/zinc/25/89/74/1431258974.db2.gz HIUHTGJEGNGVLC-INIZCTEOSA-N 1 1 388.537 3.439 20 5 GGBDMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000185874746 1431259034 /nfs/dbraw/zinc/25/90/34/1431259034.db2.gz HIUHTGJEGNGVLC-MRXNPFEDSA-N 1 1 388.537 3.439 20 5 GGBDMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000185877489 1431260088 /nfs/dbraw/zinc/26/00/88/1431260088.db2.gz ZFNBFIOXIPCLPN-MRXNPFEDSA-N 1 1 388.537 3.439 20 5 GGBDMO CN1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000185890319 1431265494 /nfs/dbraw/zinc/26/54/94/1431265494.db2.gz OQSAYUIYLYZYRO-UHFFFAOYSA-N 1 1 386.496 3.361 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185969064 1431300844 /nfs/dbraw/zinc/30/08/44/1431300844.db2.gz QKLHUUGOEGMBTH-INIZCTEOSA-N 1 1 395.525 3.260 20 5 GGBDMO CSc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000185981743 1431304415 /nfs/dbraw/zinc/30/44/15/1431304415.db2.gz UPANBPWMKPNTMF-AWEZNQCLSA-N 1 1 375.450 3.477 20 5 GGBDMO Cn1cc[nH+]c1CC1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000186006048 1431309878 /nfs/dbraw/zinc/30/98/78/1431309878.db2.gz HQFJGNSUHYTUTI-UHFFFAOYSA-N 1 1 391.859 3.146 20 5 GGBDMO CSc1cccc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000186114077 1431333555 /nfs/dbraw/zinc/33/35/55/1431333555.db2.gz WNRMCJJYPSBWMX-AWEZNQCLSA-N 1 1 385.489 3.493 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000186514267 1431443461 /nfs/dbraw/zinc/44/34/61/1431443461.db2.gz UOKAFSITGWHOHA-GDBMZVCRSA-N 1 1 395.525 3.184 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186627321 1431473371 /nfs/dbraw/zinc/47/33/71/1431473371.db2.gz SUPMNSVCSJVUGB-OAQYLSRUSA-N 1 1 397.431 3.063 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186687932 1431492864 /nfs/dbraw/zinc/49/28/64/1431492864.db2.gz ZGSSERUYZJQFGT-NRFANRHFSA-N 1 1 397.431 3.063 20 5 GGBDMO CC1(C)OCc2cc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC000186821053 1431527823 /nfs/dbraw/zinc/52/78/23/1431527823.db2.gz NSJLVLGAOUXEPY-INIZCTEOSA-N 1 1 384.436 3.321 20 5 GGBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186964429 1431578478 /nfs/dbraw/zinc/57/84/78/1431578478.db2.gz RBJOCFDRQFOSBE-UHFFFAOYSA-N 1 1 381.392 3.316 20 5 GGBDMO COc1ccc2nc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)sc2c1 ZINC000187262335 1431671226 /nfs/dbraw/zinc/67/12/26/1431671226.db2.gz ZHQBBAKODQIEHF-LBPRGKRZSA-N 1 1 385.449 3.295 20 5 GGBDMO COc1ccc2nc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)sc2c1 ZINC000187262335 1431671231 /nfs/dbraw/zinc/67/12/31/1431671231.db2.gz ZHQBBAKODQIEHF-LBPRGKRZSA-N 1 1 385.449 3.295 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000187612283 1431779344 /nfs/dbraw/zinc/77/93/44/1431779344.db2.gz QMTKNCZQJNSZDP-FQEVSTJZSA-N 1 1 383.448 3.244 20 5 GGBDMO CSc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1[N+](=O)[O-] ZINC000188073185 1431842650 /nfs/dbraw/zinc/84/26/50/1431842650.db2.gz QOSSWWHSTQHFTH-UHFFFAOYSA-N 1 1 383.433 3.136 20 5 GGBDMO CSc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000188246670 1431865418 /nfs/dbraw/zinc/86/54/18/1431865418.db2.gz KHCPVHUVFFCYCW-BBRMVZONSA-N 1 1 375.494 3.406 20 5 GGBDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000188331535 1431874192 /nfs/dbraw/zinc/87/41/92/1431874192.db2.gz AFTGQBNRDXZCPG-HNNXBMFYSA-N 1 1 389.477 3.328 20 5 GGBDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000188331535 1431874194 /nfs/dbraw/zinc/87/41/94/1431874194.db2.gz AFTGQBNRDXZCPG-HNNXBMFYSA-N 1 1 389.477 3.328 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188633776 1431911044 /nfs/dbraw/zinc/91/10/44/1431911044.db2.gz HHJFUWBQFOPDEB-MRXNPFEDSA-N 1 1 390.484 3.022 20 5 GGBDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000189210049 1432063713 /nfs/dbraw/zinc/06/37/13/1432063713.db2.gz ONYBDFOLQUPIPV-OAHLLOKOSA-N 1 1 389.477 3.328 20 5 GGBDMO COC(=O)c1cnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000189357263 1432092712 /nfs/dbraw/zinc/09/27/12/1432092712.db2.gz AFAMVZBNXALKCH-OAHLLOKOSA-N 1 1 390.484 3.257 20 5 GGBDMO CC(=O)N1CC[NH+](Cc2cccc(NC/C=C/c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000189510320 1432141824 /nfs/dbraw/zinc/14/18/24/1432141824.db2.gz DXBCTNWVQOSNMX-VMPITWQZSA-N 1 1 394.475 3.384 20 5 GGBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189582203 1432166512 /nfs/dbraw/zinc/16/65/12/1432166512.db2.gz SSRRUPULBWNJHT-AWEZNQCLSA-N 1 1 395.431 3.116 20 5 GGBDMO COc1cc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc([N+](=O)[O-])c1C ZINC000189855800 1432254892 /nfs/dbraw/zinc/25/48/92/1432254892.db2.gz AIRCBUXSOTURIS-UHFFFAOYSA-N 1 1 399.447 3.039 20 5 GGBDMO COC(=O)c1cnc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000190170880 1432332896 /nfs/dbraw/zinc/33/28/96/1432332896.db2.gz OYEIVHPXVWEJLU-CYBMUJFWSA-N 1 1 390.465 3.162 20 5 GGBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000190421141 1432378600 /nfs/dbraw/zinc/37/86/00/1432378600.db2.gz OYVQSLVAJZRCAL-LJQANCHMSA-N 1 1 384.436 3.007 20 5 GGBDMO CC(C)c1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000190488115 1432390847 /nfs/dbraw/zinc/39/08/47/1432390847.db2.gz RWVXNPFDPBOLAH-LJQANCHMSA-N 1 1 397.475 3.215 20 5 GGBDMO CCc1n[nH]c(C2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n1 ZINC000190709829 1432450706 /nfs/dbraw/zinc/45/07/06/1432450706.db2.gz NSNLCXUWCKABJO-UHFFFAOYSA-N 1 1 396.451 3.352 20 5 GGBDMO CCc1nc(C2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n[nH]1 ZINC000190709829 1432450714 /nfs/dbraw/zinc/45/07/14/1432450714.db2.gz NSNLCXUWCKABJO-UHFFFAOYSA-N 1 1 396.451 3.352 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000190850294 1432506891 /nfs/dbraw/zinc/50/68/91/1432506891.db2.gz NRQMOKRPTUKXOW-SYNHAJSKSA-N 1 1 383.448 3.143 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000190850294 1432506894 /nfs/dbraw/zinc/50/68/94/1432506894.db2.gz NRQMOKRPTUKXOW-SYNHAJSKSA-N 1 1 383.448 3.143 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190851315 1432507275 /nfs/dbraw/zinc/50/72/75/1432507275.db2.gz BKBRSUZNLBPUOH-LJQANCHMSA-N 1 1 398.463 3.316 20 5 GGBDMO Cn1cc([C@@H]2CSCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000191214688 1432593837 /nfs/dbraw/zinc/59/38/37/1432593837.db2.gz SNWJDRBYFRSKTA-KRWDZBQOSA-N 1 1 399.476 3.316 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191301782 1432625658 /nfs/dbraw/zinc/62/56/58/1432625658.db2.gz LVMKIVSSZLDMHL-UHFFFAOYSA-N 1 1 387.387 3.177 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191301782 1432625669 /nfs/dbraw/zinc/62/56/69/1432625669.db2.gz LVMKIVSSZLDMHL-UHFFFAOYSA-N 1 1 387.387 3.177 20 5 GGBDMO NC(=O)c1ccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000191344135 1432637207 /nfs/dbraw/zinc/63/72/07/1432637207.db2.gz MXMFSCGQJLVHKU-UHFFFAOYSA-N 1 1 390.443 3.334 20 5 GGBDMO NC(=O)c1ccc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000191344135 1432637208 /nfs/dbraw/zinc/63/72/08/1432637208.db2.gz MXMFSCGQJLVHKU-UHFFFAOYSA-N 1 1 390.443 3.334 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000191388965 1432648376 /nfs/dbraw/zinc/64/83/76/1432648376.db2.gz GWWITBOBQLDIDT-GOSISDBHSA-N 1 1 398.463 3.100 20 5 GGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191489519 1432670501 /nfs/dbraw/zinc/67/05/01/1432670501.db2.gz MFEUJBVTVBDXHY-LJQANCHMSA-N 1 1 385.464 3.421 20 5 GGBDMO CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191497776 1432672979 /nfs/dbraw/zinc/67/29/79/1432672979.db2.gz AUJLUQLFMXQEMF-UHFFFAOYSA-N 1 1 393.875 3.358 20 5 GGBDMO CCc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192220472 1432818575 /nfs/dbraw/zinc/81/85/75/1432818575.db2.gz JREFYSUCPGTQHV-HXUWFJFHSA-N 1 1 397.475 3.178 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000192534345 1432856282 /nfs/dbraw/zinc/85/62/82/1432856282.db2.gz BBMIKSLSOYTKJI-CALCHBBNSA-N 1 1 397.475 3.476 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000192534345 1432856283 /nfs/dbraw/zinc/85/62/83/1432856283.db2.gz BBMIKSLSOYTKJI-CALCHBBNSA-N 1 1 397.475 3.476 20 5 GGBDMO COc1cccc(COC[C@H](O)C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000192586925 1432863246 /nfs/dbraw/zinc/86/32/46/1432863246.db2.gz GTUZJEQVMGBQIR-QGZVFWFLSA-N 1 1 394.855 3.266 20 5 GGBDMO COc1cccc(COC[C@H](O)C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000192586925 1432863249 /nfs/dbraw/zinc/86/32/49/1432863249.db2.gz GTUZJEQVMGBQIR-QGZVFWFLSA-N 1 1 394.855 3.266 20 5 GGBDMO CC[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000192720945 1432879827 /nfs/dbraw/zinc/87/98/27/1432879827.db2.gz UKJUFLOWFIRHHF-ICSRJNTNSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000192720945 1432879829 /nfs/dbraw/zinc/87/98/29/1432879829.db2.gz UKJUFLOWFIRHHF-ICSRJNTNSA-N 1 1 397.475 3.313 20 5 GGBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777870 1432889340 /nfs/dbraw/zinc/88/93/40/1432889340.db2.gz PGNCLHXQLUBTAV-AEFFLSMTSA-N 1 1 397.479 3.007 20 5 GGBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777870 1432889341 /nfs/dbraw/zinc/88/93/41/1432889341.db2.gz PGNCLHXQLUBTAV-AEFFLSMTSA-N 1 1 397.479 3.007 20 5 GGBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777870 1432889345 /nfs/dbraw/zinc/88/93/45/1432889345.db2.gz PGNCLHXQLUBTAV-AEFFLSMTSA-N 1 1 397.479 3.007 20 5 GGBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777896 1432889456 /nfs/dbraw/zinc/88/94/56/1432889456.db2.gz PGNCLHXQLUBTAV-WMZOPIPTSA-N 1 1 397.479 3.007 20 5 GGBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777896 1432889457 /nfs/dbraw/zinc/88/94/57/1432889457.db2.gz PGNCLHXQLUBTAV-WMZOPIPTSA-N 1 1 397.479 3.007 20 5 GGBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777896 1432889459 /nfs/dbraw/zinc/88/94/59/1432889459.db2.gz PGNCLHXQLUBTAV-WMZOPIPTSA-N 1 1 397.479 3.007 20 5 GGBDMO COC(=O)c1cc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)oc1C ZINC000192825484 1432895387 /nfs/dbraw/zinc/89/53/87/1432895387.db2.gz KZCJRLAQKPAXLR-UHFFFAOYSA-N 1 1 389.408 3.052 20 5 GGBDMO COC(=O)c1cc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)oc1C ZINC000192825464 1432895414 /nfs/dbraw/zinc/89/54/14/1432895414.db2.gz OSTDBXMOTCWHMZ-UHFFFAOYSA-N 1 1 389.408 3.052 20 5 GGBDMO COc1cc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000192918048 1432907511 /nfs/dbraw/zinc/90/75/11/1432907511.db2.gz WMURWTFGSYXMNA-QGZVFWFLSA-N 1 1 385.464 3.224 20 5 GGBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192925519 1432908678 /nfs/dbraw/zinc/90/86/78/1432908678.db2.gz FVNBTALMTAUAED-MJGOQNOKSA-N 1 1 396.491 3.424 20 5 GGBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000193133153 1432941756 /nfs/dbraw/zinc/94/17/56/1432941756.db2.gz MEUVKPLCDBIQLG-GOSISDBHSA-N 1 1 376.840 3.265 20 5 GGBDMO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315154 1432977994 /nfs/dbraw/zinc/97/79/94/1432977994.db2.gz PVXNGPDESRZDJQ-AWEZNQCLSA-N 1 1 382.363 3.068 20 5 GGBDMO CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3n[nH]c(C[NH3+])n3)cc2)cc1[N+](=O)[O-] ZINC000193345548 1432983567 /nfs/dbraw/zinc/98/35/67/1432983567.db2.gz ZYZBDEPSCWWOGW-UHFFFAOYSA-N 1 1 394.435 3.388 20 5 GGBDMO C[N@@H+](CCSCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000193615245 1433029375 /nfs/dbraw/zinc/02/93/75/1433029375.db2.gz KRCGGPVWSHIYGH-UHFFFAOYSA-N 1 1 385.489 3.349 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193625057 1433030600 /nfs/dbraw/zinc/03/06/00/1433030600.db2.gz BSMZAIFQOFWCMD-MRXNPFEDSA-N 1 1 384.436 3.247 20 5 GGBDMO COC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000193661217 1433035863 /nfs/dbraw/zinc/03/58/63/1433035863.db2.gz MEGWIHYEBMLENI-QGZVFWFLSA-N 1 1 389.839 3.115 20 5 GGBDMO COC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000193687365 1433040767 /nfs/dbraw/zinc/04/07/67/1433040767.db2.gz RABHTKKOPZAVHS-KRWDZBQOSA-N 1 1 377.828 3.188 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193784944 1433058951 /nfs/dbraw/zinc/05/89/51/1433058951.db2.gz OPFWTTQQIGBSIL-SFHVURJKSA-N 1 1 383.448 3.002 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193803692 1433063173 /nfs/dbraw/zinc/06/31/73/1433063173.db2.gz DHOZBCQELKPUQI-QGZVFWFLSA-N 1 1 392.459 3.257 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193840959 1433070951 /nfs/dbraw/zinc/07/09/51/1433070951.db2.gz YZRRBRPWXJNHPA-MRXNPFEDSA-N 1 1 387.867 3.429 20 5 GGBDMO CN(C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000193880182 1433077686 /nfs/dbraw/zinc/07/76/86/1433077686.db2.gz IAWKAYPXNKOSLN-CYBMUJFWSA-N 1 1 394.428 3.192 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000193880182 1433077690 /nfs/dbraw/zinc/07/76/90/1433077690.db2.gz IAWKAYPXNKOSLN-CYBMUJFWSA-N 1 1 394.428 3.192 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000193944647 1433089877 /nfs/dbraw/zinc/08/98/77/1433089877.db2.gz DASOOVPEFSGRIP-UHFFFAOYSA-N 1 1 392.500 3.257 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000193947174 1433090481 /nfs/dbraw/zinc/09/04/81/1433090481.db2.gz SEBWLFZXDGTJGT-HNNXBMFYSA-N 1 1 378.473 3.057 20 5 GGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3cnccn3)CC2)s1 ZINC000194032666 1433104464 /nfs/dbraw/zinc/10/44/64/1433104464.db2.gz ZDQLDPKWDFCULF-UHFFFAOYSA-N 1 1 381.461 3.436 20 5 GGBDMO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000194058932 1433109564 /nfs/dbraw/zinc/10/95/64/1433109564.db2.gz OMLQTQFUCSGZOO-SJLPKXTDSA-N 1 1 382.464 3.477 20 5 GGBDMO COc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000194442625 1433178708 /nfs/dbraw/zinc/17/87/08/1433178708.db2.gz MHZPUMRXPHUUHX-MRXNPFEDSA-N 1 1 383.448 3.340 20 5 GGBDMO COc1cccc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194543385 1433195226 /nfs/dbraw/zinc/19/52/26/1433195226.db2.gz LQVUYBFLSNWPSX-KRWDZBQOSA-N 1 1 383.448 3.340 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000194670574 1433213501 /nfs/dbraw/zinc/21/35/01/1433213501.db2.gz MWOIUWJCTWVQAS-UHFFFAOYSA-N 1 1 386.452 3.055 20 5 GGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OCC ZINC000194829615 1433243049 /nfs/dbraw/zinc/24/30/49/1433243049.db2.gz NVIBJJMUTDCFGN-CYBMUJFWSA-N 1 1 387.436 3.342 20 5 GGBDMO CCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194869720 1433252777 /nfs/dbraw/zinc/25/27/77/1433252777.db2.gz WDIOQOFSUTXCDT-QGZVFWFLSA-N 1 1 383.448 3.340 20 5 GGBDMO CCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194869734 1433252843 /nfs/dbraw/zinc/25/28/43/1433252843.db2.gz WDIOQOFSUTXCDT-KRWDZBQOSA-N 1 1 383.448 3.340 20 5 GGBDMO COc1cccc(C2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000194877150 1433254259 /nfs/dbraw/zinc/25/42/59/1433254259.db2.gz JXKIBQBUPVIHJN-UHFFFAOYSA-N 1 1 395.459 3.372 20 5 GGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000194877521 1433254283 /nfs/dbraw/zinc/25/42/83/1433254283.db2.gz JYUKUYDBZZWYHJ-FQEVSTJZSA-N 1 1 391.468 3.143 20 5 GGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000194877507 1433254320 /nfs/dbraw/zinc/25/43/20/1433254320.db2.gz JYUKUYDBZZWYHJ-HXUWFJFHSA-N 1 1 391.468 3.143 20 5 GGBDMO COc1cccc(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000194903501 1433261233 /nfs/dbraw/zinc/26/12/33/1433261233.db2.gz JTOINVIEXTTZHJ-GOSISDBHSA-N 1 1 385.464 3.490 20 5 GGBDMO COc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000195321821 1433318873 /nfs/dbraw/zinc/31/88/73/1433318873.db2.gz VUYGAVGBJSEISW-OAHLLOKOSA-N 1 1 377.828 3.290 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1F ZINC000195527147 1433338569 /nfs/dbraw/zinc/33/85/69/1433338569.db2.gz CIRZUDCESAUZRO-UHFFFAOYSA-N 1 1 390.321 3.436 20 5 GGBDMO C[C@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000195527042 1433338645 /nfs/dbraw/zinc/33/86/45/1433338645.db2.gz SPVRHHQOLAEEGT-SNVBAGLBSA-N 1 1 381.404 3.111 20 5 GGBDMO C[C@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000195527042 1433338648 /nfs/dbraw/zinc/33/86/48/1433338648.db2.gz SPVRHHQOLAEEGT-SNVBAGLBSA-N 1 1 381.404 3.111 20 5 GGBDMO Cc1cc(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000195694025 1433345083 /nfs/dbraw/zinc/34/50/83/1433345083.db2.gz MAGLVXBIOBSGDZ-OAQYLSRUSA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1cc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000195694025 1433345086 /nfs/dbraw/zinc/34/50/86/1433345086.db2.gz MAGLVXBIOBSGDZ-OAQYLSRUSA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1cc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000195694025 1433345090 /nfs/dbraw/zinc/34/50/90/1433345090.db2.gz MAGLVXBIOBSGDZ-OAQYLSRUSA-N 1 1 396.491 3.012 20 5 GGBDMO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000216192288 1433362885 /nfs/dbraw/zinc/36/28/85/1433362885.db2.gz CSRSTTLFYPAZDB-WMLDXEAASA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000216192288 1433362887 /nfs/dbraw/zinc/36/28/87/1433362887.db2.gz CSRSTTLFYPAZDB-WMLDXEAASA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000216192333 1433363014 /nfs/dbraw/zinc/36/30/14/1433363014.db2.gz CSRSTTLFYPAZDB-YOEHRIQHSA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000216192333 1433363016 /nfs/dbraw/zinc/36/30/16/1433363016.db2.gz CSRSTTLFYPAZDB-YOEHRIQHSA-N 1 1 385.420 3.084 20 5 GGBDMO COc1cc(CNC[C@@H]2CCC[N@@H+]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237242860 1433393857 /nfs/dbraw/zinc/39/38/57/1433393857.db2.gz DYBWWTXCBIOSFW-IBGZPJMESA-N 1 1 385.464 3.366 20 5 GGBDMO COc1cc(CNC[C@@H]2CCC[N@H+]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237242860 1433393858 /nfs/dbraw/zinc/39/38/58/1433393858.db2.gz DYBWWTXCBIOSFW-IBGZPJMESA-N 1 1 385.464 3.366 20 5 GGBDMO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000245472145 1433474711 /nfs/dbraw/zinc/47/47/11/1433474711.db2.gz YRMYTFZQYPPPFM-OXQOHEQNSA-N 1 1 396.491 3.143 20 5 GGBDMO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000245472145 1433474714 /nfs/dbraw/zinc/47/47/14/1433474714.db2.gz YRMYTFZQYPPPFM-OXQOHEQNSA-N 1 1 396.491 3.143 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000245675561 1433498020 /nfs/dbraw/zinc/49/80/20/1433498020.db2.gz KZJBLFUBCFGUFJ-GJZGRUSLSA-N 1 1 395.525 3.184 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000245679481 1433498349 /nfs/dbraw/zinc/49/83/49/1433498349.db2.gz MEEMGNUJLJUHAU-HUUCEWRRSA-N 1 1 395.525 3.184 20 5 GGBDMO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245702965 1433502469 /nfs/dbraw/zinc/50/24/69/1433502469.db2.gz NPPODXSCPIOPMJ-BDJLRTHQSA-N 1 1 381.791 3.403 20 5 GGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245702965 1433502472 /nfs/dbraw/zinc/50/24/72/1433502472.db2.gz NPPODXSCPIOPMJ-BDJLRTHQSA-N 1 1 381.791 3.403 20 5 GGBDMO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245756004 1433512554 /nfs/dbraw/zinc/51/25/54/1433512554.db2.gz YLZZOMVEMZIXRI-IAGOWNOFSA-N 1 1 394.541 3.066 20 5 GGBDMO O=C1CC[C@H]2C[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]2N1C1CC1 ZINC000245788898 1433517627 /nfs/dbraw/zinc/51/76/27/1433517627.db2.gz NJDSVDGPBORHLR-KXBFYZLASA-N 1 1 396.447 3.225 20 5 GGBDMO O=C1CC[C@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]2N1C1CC1 ZINC000245788898 1433517628 /nfs/dbraw/zinc/51/76/28/1433517628.db2.gz NJDSVDGPBORHLR-KXBFYZLASA-N 1 1 396.447 3.225 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000245831569 1433523393 /nfs/dbraw/zinc/52/33/93/1433523393.db2.gz GKKYLABUQDVLJH-JKSUJKDBSA-N 1 1 393.509 3.218 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)n2)c1 ZINC000245834559 1433523809 /nfs/dbraw/zinc/52/38/09/1433523809.db2.gz GVWMKLDLOFGBPH-HOTGVXAUSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)n2)c1 ZINC000245834559 1433523812 /nfs/dbraw/zinc/52/38/12/1433523812.db2.gz GVWMKLDLOFGBPH-HOTGVXAUSA-N 1 1 390.465 3.131 20 5 GGBDMO C[C@H](O)C[N@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000245895425 1433536359 /nfs/dbraw/zinc/53/63/59/1433536359.db2.gz SJVHSIUMYZEJRY-YVEFUNNKSA-N 1 1 377.828 3.241 20 5 GGBDMO C[C@H](O)C[N@@H+](C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000245895425 1433536364 /nfs/dbraw/zinc/53/63/64/1433536364.db2.gz SJVHSIUMYZEJRY-YVEFUNNKSA-N 1 1 377.828 3.241 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245913691 1433541311 /nfs/dbraw/zinc/54/13/11/1433541311.db2.gz RPSDIXLSBSFHOD-IRXDYDNUSA-N 1 1 393.509 3.218 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245998963 1433555792 /nfs/dbraw/zinc/55/57/92/1433555792.db2.gz XZLZNEARUORUGE-IRXDYDNUSA-N 1 1 393.509 3.218 20 5 GGBDMO COc1ccc([C@@H]2CC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)cc1 ZINC000246018440 1433558288 /nfs/dbraw/zinc/55/82/88/1433558288.db2.gz KJJHHYVHWIVHOL-UZLBHIALSA-N 1 1 381.432 3.198 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000246172512 1433577728 /nfs/dbraw/zinc/57/77/28/1433577728.db2.gz PWGBAIIQZYDVJG-JKSUJKDBSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000246172512 1433577729 /nfs/dbraw/zinc/57/77/29/1433577729.db2.gz PWGBAIIQZYDVJG-JKSUJKDBSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000246172505 1433577742 /nfs/dbraw/zinc/57/77/42/1433577742.db2.gz PWGBAIIQZYDVJG-HZPDHXFCSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000246172505 1433577744 /nfs/dbraw/zinc/57/77/44/1433577744.db2.gz PWGBAIIQZYDVJG-HZPDHXFCSA-N 1 1 383.452 3.120 20 5 GGBDMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246183680 1433579276 /nfs/dbraw/zinc/57/92/76/1433579276.db2.gz SBLYYAKTNUXFAR-SWLSCSKDSA-N 1 1 389.843 3.157 20 5 GGBDMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246183680 1433579279 /nfs/dbraw/zinc/57/92/79/1433579279.db2.gz SBLYYAKTNUXFAR-SWLSCSKDSA-N 1 1 389.843 3.157 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000246191040 1433579937 /nfs/dbraw/zinc/57/99/37/1433579937.db2.gz IHLRNZZKSZBXRD-YQQAZPJKSA-N 1 1 390.484 3.317 20 5 GGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000246256954 1433587053 /nfs/dbraw/zinc/58/70/53/1433587053.db2.gz KLLRJNSRSFJSTA-QFBILLFUSA-N 1 1 386.496 3.141 20 5 GGBDMO Cc1c(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281541 1433589516 /nfs/dbraw/zinc/58/95/16/1433589516.db2.gz AYLSQYCDAFCMCR-JXFKEZNVSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281541 1433589519 /nfs/dbraw/zinc/58/95/19/1433589519.db2.gz AYLSQYCDAFCMCR-JXFKEZNVSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281541 1433589521 /nfs/dbraw/zinc/58/95/21/1433589521.db2.gz AYLSQYCDAFCMCR-JXFKEZNVSA-N 1 1 386.496 3.181 20 5 GGBDMO Cn1cc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000246290026 1433590644 /nfs/dbraw/zinc/59/06/44/1433590644.db2.gz OUCWJBXBDVFILP-NRFANRHFSA-N 1 1 391.475 3.484 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246295671 1433591355 /nfs/dbraw/zinc/59/13/55/1433591355.db2.gz PFFDHJCEUWIYKZ-KXBFYZLASA-N 1 1 387.480 3.357 20 5 GGBDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246329731 1433595923 /nfs/dbraw/zinc/59/59/23/1433595923.db2.gz SQLOYXYPHSIMSC-PKOBYXMFSA-N 1 1 377.485 3.037 20 5 GGBDMO COc1ccccc1C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000246368792 1433602079 /nfs/dbraw/zinc/60/20/79/1433602079.db2.gz YDSFJLPYPDKWKZ-VQTJNVASSA-N 1 1 386.448 3.318 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246391775 1433605724 /nfs/dbraw/zinc/60/57/24/1433605724.db2.gz SNCHGJPYICDTJS-DOTOQJQBSA-N 1 1 392.500 3.470 20 5 GGBDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000246524571 1433625519 /nfs/dbraw/zinc/62/55/19/1433625519.db2.gz BYYGHRIKRNRLRX-UKRRQHHQSA-N 1 1 379.482 3.355 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246535468 1433626643 /nfs/dbraw/zinc/62/66/43/1433626643.db2.gz JOSJGTVTQDXKFQ-TWOQFEAHSA-N 1 1 386.496 3.179 20 5 GGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000246590854 1433636348 /nfs/dbraw/zinc/63/63/48/1433636348.db2.gz IMHHUXNLSWYODA-WMLDXEAASA-N 1 1 386.477 3.275 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246688516 1433650177 /nfs/dbraw/zinc/65/01/77/1433650177.db2.gz CWIFBTIQEPDIBV-BBRMVZONSA-N 1 1 383.876 3.115 20 5 GGBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000246737956 1433657988 /nfs/dbraw/zinc/65/79/88/1433657988.db2.gz ODBMIAQUXYWRET-FGTMMUONSA-N 1 1 387.436 3.061 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246752132 1433660561 /nfs/dbraw/zinc/66/05/61/1433660561.db2.gz JLFBYTMWEZCTKB-ZFWWWQNUSA-N 1 1 383.876 3.115 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246768850 1433663130 /nfs/dbraw/zinc/66/31/30/1433663130.db2.gz UTFQUYWJQJIOME-KBXCAEBGSA-N 1 1 397.903 3.044 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000246909955 1433686186 /nfs/dbraw/zinc/68/61/86/1433686186.db2.gz VSZBXVLYUKIAFS-GUYCJALGSA-N 1 1 383.876 3.115 20 5 GGBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000247235786 1433694725 /nfs/dbraw/zinc/69/47/25/1433694725.db2.gz UQXPNZCXOWQQGA-IXDOHACOSA-N 1 1 388.512 3.149 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000247328743 1433707794 /nfs/dbraw/zinc/70/77/94/1433707794.db2.gz IZGKHWLADHHLID-YPGOJHLTSA-N 1 1 397.475 3.246 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247336886 1433708981 /nfs/dbraw/zinc/70/89/81/1433708981.db2.gz YUKHRPUFFSVDLM-BXWFABGCSA-N 1 1 392.500 3.092 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000247336912 1433708999 /nfs/dbraw/zinc/70/89/99/1433708999.db2.gz YUKHRPUFFSVDLM-MDZRGWNJSA-N 1 1 392.500 3.092 20 5 GGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000247335447 1433709164 /nfs/dbraw/zinc/70/91/64/1433709164.db2.gz VXDBCCHGASECCK-GJZGRUSLSA-N 1 1 396.451 3.394 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247339303 1433709721 /nfs/dbraw/zinc/70/97/21/1433709721.db2.gz ZCEZBKVZSQJWKM-RDJZCZTQSA-N 1 1 378.473 3.162 20 5 GGBDMO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000247356317 1433712806 /nfs/dbraw/zinc/71/28/06/1433712806.db2.gz JXVKBGOUONZAMG-NUJGCVRESA-N 1 1 388.512 3.243 20 5 GGBDMO Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000247414022 1433719524 /nfs/dbraw/zinc/71/95/24/1433719524.db2.gz CSWQRZHCTSQXKN-RHSMWYFYSA-N 1 1 377.466 3.109 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000247615569 1433740167 /nfs/dbraw/zinc/74/01/67/1433740167.db2.gz SOZYQINMGXSADE-QVDMIQRCSA-N 1 1 382.464 3.063 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000247633599 1433741417 /nfs/dbraw/zinc/74/14/17/1433741417.db2.gz UYQPWVHREFJYGP-YPGOJHLTSA-N 1 1 397.475 3.246 20 5 GGBDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247709996 1433747681 /nfs/dbraw/zinc/74/76/81/1433747681.db2.gz ZYGOHOBMFVCTKC-PXAZEXFGSA-N 1 1 398.385 3.397 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000248373967 1433789142 /nfs/dbraw/zinc/78/91/42/1433789142.db2.gz MWHXDWKPTOTUMX-HZPDHXFCSA-N 1 1 392.477 3.077 20 5 GGBDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000248439183 1433802896 /nfs/dbraw/zinc/80/28/96/1433802896.db2.gz CFZIDWHFRWPEKV-ZIAGYGMSSA-N 1 1 379.482 3.355 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000248446824 1433803508 /nfs/dbraw/zinc/80/35/08/1433803508.db2.gz HAZXABKHDXQHHF-NWDGAFQWSA-N 1 1 378.454 3.122 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000248446824 1433803509 /nfs/dbraw/zinc/80/35/09/1433803509.db2.gz HAZXABKHDXQHHF-NWDGAFQWSA-N 1 1 378.454 3.122 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000248465954 1433805131 /nfs/dbraw/zinc/80/51/31/1433805131.db2.gz RYYAOFUSFSOQEG-VXGBXAGGSA-N 1 1 378.454 3.122 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000248465954 1433805132 /nfs/dbraw/zinc/80/51/32/1433805132.db2.gz RYYAOFUSFSOQEG-VXGBXAGGSA-N 1 1 378.454 3.122 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000248468721 1433805351 /nfs/dbraw/zinc/80/53/51/1433805351.db2.gz UGLUEVAZAAFCSO-IAGOWNOFSA-N 1 1 388.489 3.449 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000248564059 1433808601 /nfs/dbraw/zinc/80/86/01/1433808601.db2.gz HTMGHRURHWZQAC-DOTOQJQBSA-N 1 1 378.473 3.162 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000248612867 1433811402 /nfs/dbraw/zinc/81/14/02/1433811402.db2.gz YCFGNFRABQJURG-KHYOSLBOSA-N 1 1 395.475 3.091 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000248612863 1433811409 /nfs/dbraw/zinc/81/14/09/1433811409.db2.gz YCFGNFRABQJURG-CLCXKQKWSA-N 1 1 395.475 3.091 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000248614722 1433811641 /nfs/dbraw/zinc/81/16/41/1433811641.db2.gz YPINAUVXJACSLP-IKGGRYGDSA-N 1 1 388.512 3.473 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000248635748 1433812879 /nfs/dbraw/zinc/81/28/79/1433812879.db2.gz KFTZXCWGWVRGOO-IRXDYDNUSA-N 1 1 392.500 3.470 20 5 GGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000248734873 1433818516 /nfs/dbraw/zinc/81/85/16/1433818516.db2.gz MRTYPXHIRRUAKJ-FOIQADDNSA-N 1 1 391.468 3.141 20 5 GGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000248734877 1433818530 /nfs/dbraw/zinc/81/85/30/1433818530.db2.gz MRTYPXHIRRUAKJ-QRWLVFNGSA-N 1 1 391.468 3.141 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248917238 1433829503 /nfs/dbraw/zinc/82/95/03/1433829503.db2.gz WFLKUNMDTOCCLN-AUUYWEPGSA-N 1 1 387.867 3.427 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000248916169 1433829543 /nfs/dbraw/zinc/82/95/43/1433829543.db2.gz WCCWTUDVLXQJJG-QFBILLFUSA-N 1 1 382.464 3.257 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248958613 1433830595 /nfs/dbraw/zinc/83/05/95/1433830595.db2.gz FTKCASWKMIUHBL-MAUKXSAKSA-N 1 1 378.473 3.162 20 5 GGBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248963897 1433830986 /nfs/dbraw/zinc/83/09/86/1433830986.db2.gz GWAVNGCJXSZBOV-LAUBAEHRSA-N 1 1 394.475 3.304 20 5 GGBDMO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000249501593 1433845213 /nfs/dbraw/zinc/84/52/13/1433845213.db2.gz ASXJTGAFJFOZIN-HUUCEWRRSA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000249501593 1433845215 /nfs/dbraw/zinc/84/52/15/1433845215.db2.gz ASXJTGAFJFOZIN-HUUCEWRRSA-N 1 1 385.420 3.084 20 5 GGBDMO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000249706800 1433849286 /nfs/dbraw/zinc/84/92/86/1433849286.db2.gz OUYHWOUWPIEMRD-BXUZGUMPSA-N 1 1 384.396 3.277 20 5 GGBDMO Cc1noc([C@@H]2CCC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000249706800 1433849287 /nfs/dbraw/zinc/84/92/87/1433849287.db2.gz OUYHWOUWPIEMRD-BXUZGUMPSA-N 1 1 384.396 3.277 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000251782843 1433860493 /nfs/dbraw/zinc/86/04/93/1433860493.db2.gz WGJPRCWMACOSIV-YWZLYKJASA-N 1 1 399.447 3.394 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000251782843 1433860496 /nfs/dbraw/zinc/86/04/96/1433860496.db2.gz WGJPRCWMACOSIV-YWZLYKJASA-N 1 1 399.447 3.394 20 5 GGBDMO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@H+]1CCC[C@H](C)C1 ZINC000252107056 1433862652 /nfs/dbraw/zinc/86/26/52/1433862652.db2.gz HDOXYJVTSFWKGJ-ZWKOTPCHSA-N 1 1 391.515 3.391 20 5 GGBDMO COc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000261928322 1433913825 /nfs/dbraw/zinc/91/38/25/1433913825.db2.gz JGUWGRHBFJPZFW-INIZCTEOSA-N 1 1 375.812 3.044 20 5 GGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261976764 1433918804 /nfs/dbraw/zinc/91/88/04/1433918804.db2.gz NTQRIRKYTSYFTP-SCLBCKFNSA-N 1 1 389.452 3.388 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262106397 1433927230 /nfs/dbraw/zinc/92/72/30/1433927230.db2.gz ZQLRQEQJXTYINH-KRWDZBQOSA-N 1 1 377.803 3.103 20 5 GGBDMO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000263452366 1434007022 /nfs/dbraw/zinc/00/70/22/1434007022.db2.gz AGGIWYXKNXYEJD-UHFFFAOYSA-N 1 1 389.477 3.350 20 5 GGBDMO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000263452366 1434007025 /nfs/dbraw/zinc/00/70/25/1434007025.db2.gz AGGIWYXKNXYEJD-UHFFFAOYSA-N 1 1 389.477 3.350 20 5 GGBDMO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000263655077 1434016164 /nfs/dbraw/zinc/01/61/64/1434016164.db2.gz CITUDMRMPZFKGE-UHFFFAOYSA-N 1 1 397.475 3.271 20 5 GGBDMO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000263655077 1434016166 /nfs/dbraw/zinc/01/61/66/1434016166.db2.gz CITUDMRMPZFKGE-UHFFFAOYSA-N 1 1 397.475 3.271 20 5 GGBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000263774645 1434032167 /nfs/dbraw/zinc/03/21/67/1434032167.db2.gz MRHLLCQPMKCKDZ-OKILXGFUSA-N 1 1 395.887 3.210 20 5 GGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000263837573 1434039957 /nfs/dbraw/zinc/03/99/57/1434039957.db2.gz AHQUCVQKBDHSHP-UHFFFAOYSA-N 1 1 396.447 3.079 20 5 GGBDMO CCC[N@H+]1Cc2cccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000263837573 1434039960 /nfs/dbraw/zinc/03/99/60/1434039960.db2.gz AHQUCVQKBDHSHP-UHFFFAOYSA-N 1 1 396.447 3.079 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1SC ZINC000264136826 1434074885 /nfs/dbraw/zinc/07/48/85/1434074885.db2.gz LIYKANCPRCYCKK-UHFFFAOYSA-N 1 1 389.477 3.187 20 5 GGBDMO Cc1c(NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000264606776 1434134037 /nfs/dbraw/zinc/13/40/37/1434134037.db2.gz DLBAOMYTVXXPJL-IJEWVQPXSA-N 1 1 376.457 3.009 20 5 GGBDMO Cc1c(NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000264606776 1434134040 /nfs/dbraw/zinc/13/40/40/1434134040.db2.gz DLBAOMYTVXXPJL-IJEWVQPXSA-N 1 1 376.457 3.009 20 5 GGBDMO COc1cc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000264678910 1434143066 /nfs/dbraw/zinc/14/30/66/1434143066.db2.gz NTUWFJSMCWHPGK-AWEZNQCLSA-N 1 1 385.420 3.249 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000264685718 1434143817 /nfs/dbraw/zinc/14/38/17/1434143817.db2.gz YBFGBKKVOXENJN-BFYDXBDKSA-N 1 1 376.457 3.009 20 5 GGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264997145 1434172672 /nfs/dbraw/zinc/17/26/72/1434172672.db2.gz USNHPHXJRUUVEX-UHFFFAOYSA-N 1 1 383.448 3.210 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000265030571 1434176659 /nfs/dbraw/zinc/17/66/59/1434176659.db2.gz ZWIAHAIARJDFPU-UHFFFAOYSA-N 1 1 383.448 3.340 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000265078834 1434182516 /nfs/dbraw/zinc/18/25/16/1434182516.db2.gz QYLKTAVEOJJBIK-HZPDHXFCSA-N 1 1 395.525 3.089 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000265078831 1434182610 /nfs/dbraw/zinc/18/26/10/1434182610.db2.gz QYLKTAVEOJJBIK-HOTGVXAUSA-N 1 1 395.525 3.089 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000265619859 1434250924 /nfs/dbraw/zinc/25/09/24/1434250924.db2.gz AULNQDIGDMHBSC-QGZVFWFLSA-N 1 1 394.431 3.000 20 5 GGBDMO Cc1c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000265710919 1434259185 /nfs/dbraw/zinc/25/91/85/1434259185.db2.gz GYAGSRJVZVQPPK-UHFFFAOYSA-N 1 1 390.440 3.210 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000265777305 1434264458 /nfs/dbraw/zinc/26/44/58/1434264458.db2.gz OCLKHZMEICBMBX-QFBILLFUSA-N 1 1 391.512 3.126 20 5 GGBDMO C[C@@H](c1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000266402577 1434331372 /nfs/dbraw/zinc/33/13/72/1434331372.db2.gz HIVFFAZDFHQUKD-INIZCTEOSA-N 1 1 398.463 3.352 20 5 GGBDMO CCOc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OCC ZINC000266786276 1434375449 /nfs/dbraw/zinc/37/54/49/1434375449.db2.gz XDYSIJPTPXZVNM-KGLIPLIRSA-N 1 1 392.456 3.093 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000267442415 1434433713 /nfs/dbraw/zinc/43/37/13/1434433713.db2.gz CIUYJZURIFGLMS-CZUORRHYSA-N 1 1 383.876 3.115 20 5 GGBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000267780757 1434463971 /nfs/dbraw/zinc/46/39/71/1434463971.db2.gz SPOSBZJHOWAYLQ-AWEZNQCLSA-N 1 1 394.435 3.353 20 5 GGBDMO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000267791897 1434465280 /nfs/dbraw/zinc/46/52/80/1434465280.db2.gz WIWMEXWPVRMJRZ-OAHLLOKOSA-N 1 1 390.509 3.467 20 5 GGBDMO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000267791897 1434465281 /nfs/dbraw/zinc/46/52/81/1434465281.db2.gz WIWMEXWPVRMJRZ-OAHLLOKOSA-N 1 1 390.509 3.467 20 5 GGBDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 ZINC000267993813 1434484965 /nfs/dbraw/zinc/48/49/65/1434484965.db2.gz BGSITHJEEWNLML-UHFFFAOYSA-N 1 1 387.484 3.038 20 5 GGBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000268123521 1434496357 /nfs/dbraw/zinc/49/63/57/1434496357.db2.gz BRLOXLCKZTUWOB-UHFFFAOYSA-N 1 1 383.423 3.397 20 5 GGBDMO Cc1nc2sccn2c1C[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000268236919 1434504154 /nfs/dbraw/zinc/50/41/54/1434504154.db2.gz MFLKRJSRLBKPNF-UHFFFAOYSA-N 1 1 387.465 3.381 20 5 GGBDMO COc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000268383459 1434517684 /nfs/dbraw/zinc/51/76/84/1434517684.db2.gz VJHISDNKBVCBQG-UHFFFAOYSA-N 1 1 398.507 3.424 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000268386484 1434517739 /nfs/dbraw/zinc/51/77/39/1434517739.db2.gz YBNJJJVTPMZCAA-UHFFFAOYSA-N 1 1 384.392 3.205 20 5 GGBDMO Cc1nnc([C@@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)[nH]1 ZINC000268495843 1434527520 /nfs/dbraw/zinc/52/75/20/1434527520.db2.gz RAPUONAARLERCR-OAHLLOKOSA-N 1 1 382.424 3.098 20 5 GGBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000268495843 1434527522 /nfs/dbraw/zinc/52/75/22/1434527522.db2.gz RAPUONAARLERCR-OAHLLOKOSA-N 1 1 382.424 3.098 20 5 GGBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000268495843 1434527524 /nfs/dbraw/zinc/52/75/24/1434527524.db2.gz RAPUONAARLERCR-OAHLLOKOSA-N 1 1 382.424 3.098 20 5 GGBDMO Cc1nc([C@@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n[nH]1 ZINC000268495843 1434527527 /nfs/dbraw/zinc/52/75/27/1434527527.db2.gz RAPUONAARLERCR-OAHLLOKOSA-N 1 1 382.424 3.098 20 5 GGBDMO Cc1nc([C@@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n[nH]1 ZINC000268495843 1434527529 /nfs/dbraw/zinc/52/75/29/1434527529.db2.gz RAPUONAARLERCR-OAHLLOKOSA-N 1 1 382.424 3.098 20 5 GGBDMO Cc1nnc([C@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)[nH]1 ZINC000268495839 1434527545 /nfs/dbraw/zinc/52/75/45/1434527545.db2.gz RAPUONAARLERCR-HNNXBMFYSA-N 1 1 382.424 3.098 20 5 GGBDMO Cc1n[nH]c([C@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000268495839 1434527547 /nfs/dbraw/zinc/52/75/47/1434527547.db2.gz RAPUONAARLERCR-HNNXBMFYSA-N 1 1 382.424 3.098 20 5 GGBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000268495839 1434527549 /nfs/dbraw/zinc/52/75/49/1434527549.db2.gz RAPUONAARLERCR-HNNXBMFYSA-N 1 1 382.424 3.098 20 5 GGBDMO Cc1nc([C@H]2CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n[nH]1 ZINC000268495839 1434527551 /nfs/dbraw/zinc/52/75/51/1434527551.db2.gz RAPUONAARLERCR-HNNXBMFYSA-N 1 1 382.424 3.098 20 5 GGBDMO Cc1nc([C@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n[nH]1 ZINC000268495839 1434527553 /nfs/dbraw/zinc/52/75/53/1434527553.db2.gz RAPUONAARLERCR-HNNXBMFYSA-N 1 1 382.424 3.098 20 5 GGBDMO CO[C@H](C)c1nc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000269077578 1434588811 /nfs/dbraw/zinc/58/88/11/1434588811.db2.gz NTSYYCRCDNMQGH-VXGBXAGGSA-N 1 1 378.454 3.266 20 5 GGBDMO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269308166 1434621302 /nfs/dbraw/zinc/62/13/02/1434621302.db2.gz XPOCUURSGPITBQ-KRWDZBQOSA-N 1 1 383.448 3.285 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269308166 1434621307 /nfs/dbraw/zinc/62/13/07/1434621307.db2.gz XPOCUURSGPITBQ-KRWDZBQOSA-N 1 1 383.448 3.285 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269335893 1434627041 /nfs/dbraw/zinc/62/70/41/1434627041.db2.gz BHQZPZGYJYVZOL-HOCLYGCPSA-N 1 1 385.468 3.224 20 5 GGBDMO O=C(c1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000269407413 1434640112 /nfs/dbraw/zinc/64/01/12/1434640112.db2.gz IBHGVUMSFZXJIE-OXJNMPFZSA-N 1 1 398.507 3.284 20 5 GGBDMO CC(C)c1[nH]nc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000269462519 1434649348 /nfs/dbraw/zinc/64/93/48/1434649348.db2.gz SQHDOQCIBWRIBD-ZDUSSCGKSA-N 1 1 387.440 3.087 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269472719 1434650923 /nfs/dbraw/zinc/65/09/23/1434650923.db2.gz JCFMLQCVWWHLHM-KRWDZBQOSA-N 1 1 399.495 3.426 20 5 GGBDMO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269472719 1434650926 /nfs/dbraw/zinc/65/09/26/1434650926.db2.gz JCFMLQCVWWHLHM-KRWDZBQOSA-N 1 1 399.495 3.426 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269472719 1434650929 /nfs/dbraw/zinc/65/09/29/1434650929.db2.gz JCFMLQCVWWHLHM-KRWDZBQOSA-N 1 1 399.495 3.426 20 5 GGBDMO Cc1c(CC(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cccc1[N+](=O)[O-] ZINC000269642333 1434665982 /nfs/dbraw/zinc/66/59/82/1434665982.db2.gz RKEDXRJJGFRHQP-UHFFFAOYSA-N 1 1 393.487 3.495 20 5 GGBDMO COc1cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OC ZINC000270161831 1434708436 /nfs/dbraw/zinc/70/84/36/1434708436.db2.gz UEAKRTRSFLZPBY-MZHQLVBMSA-N 1 1 378.450 3.200 20 5 GGBDMO CC(C)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)CC1 ZINC000270451028 1434734464 /nfs/dbraw/zinc/73/44/64/1434734464.db2.gz INCOXDKLOSEGJR-UHFFFAOYSA-N 1 1 398.454 3.191 20 5 GGBDMO CCOc1ccc([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000271199052 1434807754 /nfs/dbraw/zinc/80/77/54/1434807754.db2.gz YYAGDHNIZRDVCJ-MRXNPFEDSA-N 1 1 377.485 3.289 20 5 GGBDMO COC(=O)[C@H]1CC12CC[NH+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000271202085 1434807841 /nfs/dbraw/zinc/80/78/41/1434807841.db2.gz UULZNODVHSXDMP-MRXNPFEDSA-N 1 1 387.461 3.493 20 5 GGBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000271325269 1434816106 /nfs/dbraw/zinc/81/61/06/1434816106.db2.gz YWYSEGHQWIDTOD-UHFFFAOYSA-N 1 1 379.420 3.339 20 5 GGBDMO CCOc1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000271434474 1434824525 /nfs/dbraw/zinc/82/45/25/1434824525.db2.gz DNDTYPKKXJHOAO-OAHLLOKOSA-N 1 1 388.468 3.180 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000271795007 1434851227 /nfs/dbraw/zinc/85/12/27/1434851227.db2.gz REHYHXASIMRSGH-NSHDSACASA-N 1 1 395.362 3.494 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272214195 1434878538 /nfs/dbraw/zinc/87/85/38/1434878538.db2.gz AUBWZKUYMPIDPR-HOCLYGCPSA-N 1 1 385.468 3.082 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272262566 1434882430 /nfs/dbraw/zinc/88/24/30/1434882430.db2.gz KHVZSLNDCMIKJW-GFCCVEGCSA-N 1 1 396.394 3.350 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272363790 1434890577 /nfs/dbraw/zinc/89/05/77/1434890577.db2.gz SMYSYRBZAQFZAB-DOTOQJQBSA-N 1 1 383.448 3.244 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272363798 1434890665 /nfs/dbraw/zinc/89/06/65/1434890665.db2.gz SMYSYRBZAQFZAB-RDJZCZTQSA-N 1 1 383.448 3.244 20 5 GGBDMO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272386271 1434892750 /nfs/dbraw/zinc/89/27/50/1434892750.db2.gz WCLAUXRZUQNJQE-FUHWJXTLSA-N 1 1 383.448 3.000 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272486549 1434899736 /nfs/dbraw/zinc/89/97/36/1434899736.db2.gz DCHVMAMXIGMKID-UYAOXDASSA-N 1 1 380.448 3.174 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000272497541 1434900769 /nfs/dbraw/zinc/90/07/69/1434900769.db2.gz GGFOOZHQHDLJCU-HXUWFJFHSA-N 1 1 394.431 3.021 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272506291 1434901558 /nfs/dbraw/zinc/90/15/58/1434901558.db2.gz ICTJXWJXTPJJRN-SUMDDJOVSA-N 1 1 388.493 3.062 20 5 GGBDMO Cn1ccnc1[C@H](NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272539084 1434905812 /nfs/dbraw/zinc/90/58/12/1434905812.db2.gz OREZZXNUUDISON-UYAOXDASSA-N 1 1 395.463 3.437 20 5 GGBDMO COc1ccc(OC)c(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272558466 1434907633 /nfs/dbraw/zinc/90/76/33/1434907633.db2.gz STMKWERYAKWIEI-HXUWFJFHSA-N 1 1 396.447 3.267 20 5 GGBDMO C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272651367 1434919677 /nfs/dbraw/zinc/91/96/77/1434919677.db2.gz FDABZNBNQZCDRP-WBVHZDCISA-N 1 1 384.480 3.319 20 5 GGBDMO C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272651363 1434919791 /nfs/dbraw/zinc/91/97/91/1434919791.db2.gz FDABZNBNQZCDRP-NVXWUHKLSA-N 1 1 384.480 3.319 20 5 GGBDMO C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272732674 1434926723 /nfs/dbraw/zinc/92/67/23/1434926723.db2.gz BXOGCAHBQWVBLU-KBPBESRZSA-N 1 1 381.498 3.063 20 5 GGBDMO C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272752970 1434928166 /nfs/dbraw/zinc/92/81/66/1434928166.db2.gz OKUDXRLTWISFEO-KBPBESRZSA-N 1 1 381.423 3.456 20 5 GGBDMO COc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272782507 1434930823 /nfs/dbraw/zinc/93/08/23/1434930823.db2.gz FDIFTNLISTVHLO-KGLIPLIRSA-N 1 1 376.457 3.378 20 5 GGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c(Cl)c1 ZINC000273098423 1434960421 /nfs/dbraw/zinc/96/04/21/1434960421.db2.gz ODXFWZHVNNMBEI-UHFFFAOYSA-N 1 1 377.828 3.491 20 5 GGBDMO COc1cc(C[NH2+][C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000273130461 1434964612 /nfs/dbraw/zinc/96/46/12/1434964612.db2.gz RHMMUPBCNCRMEF-CYBMUJFWSA-N 1 1 386.326 3.167 20 5 GGBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)c(F)c1 ZINC000273226790 1434973749 /nfs/dbraw/zinc/97/37/49/1434973749.db2.gz VQBFLNDDZAXUFD-JTQLQIEISA-N 1 1 388.367 3.137 20 5 GGBDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273248015 1434975473 /nfs/dbraw/zinc/97/54/73/1434975473.db2.gz YAIKPJKIENGPNP-DNVCBOLYSA-N 1 1 396.447 3.058 20 5 GGBDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273248015 1434975475 /nfs/dbraw/zinc/97/54/75/1434975475.db2.gz YAIKPJKIENGPNP-DNVCBOLYSA-N 1 1 396.447 3.058 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000273301664 1434979297 /nfs/dbraw/zinc/97/92/97/1434979297.db2.gz GYKJTXFHWQUZHE-MRXNPFEDSA-N 1 1 394.431 3.000 20 5 GGBDMO COc1ccccc1-c1noc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000273439592 1434988838 /nfs/dbraw/zinc/98/88/38/1434988838.db2.gz ZBOVQTUMMVRHGI-CYBMUJFWSA-N 1 1 384.392 3.383 20 5 GGBDMO C[C@@H]1C[N@H+](CCCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000273856578 1435022102 /nfs/dbraw/zinc/02/21/02/1435022102.db2.gz MVPRWAIHGVVYQR-GASCZTMLSA-N 1 1 395.475 3.017 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000273893689 1435026106 /nfs/dbraw/zinc/02/61/06/1435026106.db2.gz PJJVQOJDUWLWSH-UHFFFAOYSA-N 1 1 394.435 3.157 20 5 GGBDMO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc(C(F)(F)F)c1 ZINC000274084283 1435042219 /nfs/dbraw/zinc/04/22/19/1435042219.db2.gz TVLLVKQASNHFOB-AAEUAGOBSA-N 1 1 384.314 3.199 20 5 GGBDMO COc1cc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000274315010 1435060918 /nfs/dbraw/zinc/06/09/18/1435060918.db2.gz NMTKUPZXYDNQBJ-UHFFFAOYSA-N 1 1 393.459 3.403 20 5 GGBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275832928 1435173337 /nfs/dbraw/zinc/17/33/37/1435173337.db2.gz BHWMTTCJOKRDSY-QGZVFWFLSA-N 1 1 393.487 3.060 20 5 GGBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275832907 1435173400 /nfs/dbraw/zinc/17/34/00/1435173400.db2.gz BHWMTTCJOKRDSY-KRWDZBQOSA-N 1 1 393.487 3.060 20 5 GGBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000276326824 1435204886 /nfs/dbraw/zinc/20/48/86/1435204886.db2.gz QQOJLIYNQCKZPW-UONOGXRCSA-N 1 1 381.498 3.063 20 5 GGBDMO Cc1cnc(C2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000277411925 1435302813 /nfs/dbraw/zinc/30/28/13/1435302813.db2.gz LSMQXPBOBGZHDR-UHFFFAOYSA-N 1 1 386.477 3.128 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000277624812 1435317260 /nfs/dbraw/zinc/31/72/60/1435317260.db2.gz ASCRXTCETRCOAP-CXAGYDPISA-N 1 1 399.369 3.428 20 5 GGBDMO Cc1noc(C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccccc2)n1 ZINC000277658308 1435319817 /nfs/dbraw/zinc/31/98/17/1435319817.db2.gz NSEGFXYTHNVSDK-GOSISDBHSA-N 1 1 396.403 3.226 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000277687568 1435321924 /nfs/dbraw/zinc/32/19/24/1435321924.db2.gz ZDZSMEXJKQRSML-AWEZNQCLSA-N 1 1 385.420 3.249 20 5 GGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000277801030 1435331731 /nfs/dbraw/zinc/33/17/31/1435331731.db2.gz VPHGGEOXQUWWOJ-QGZVFWFLSA-N 1 1 392.500 3.016 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000278189687 1435367754 /nfs/dbraw/zinc/36/77/54/1435367754.db2.gz HUSYLEPPJOPTGY-DOMZBBRYSA-N 1 1 394.428 3.238 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000278189687 1435367757 /nfs/dbraw/zinc/36/77/57/1435367757.db2.gz HUSYLEPPJOPTGY-DOMZBBRYSA-N 1 1 394.428 3.238 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000278243761 1435373008 /nfs/dbraw/zinc/37/30/08/1435373008.db2.gz ZSGLTWWINPRKFZ-UHFFFAOYSA-N 1 1 385.420 3.137 20 5 GGBDMO COc1cc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc([N+](=O)[O-])c1C ZINC000278421526 1435389542 /nfs/dbraw/zinc/38/95/42/1435389542.db2.gz TYHBZHIDUFMTCY-UHFFFAOYSA-N 1 1 385.420 3.299 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000278430278 1435390412 /nfs/dbraw/zinc/39/04/12/1435390412.db2.gz UUNOPQQXMXCHEH-UHFFFAOYSA-N 1 1 380.404 3.463 20 5 GGBDMO CC(C)c1ccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278476152 1435393825 /nfs/dbraw/zinc/39/38/25/1435393825.db2.gz JZFHSQKUYSCUOE-OAHLLOKOSA-N 1 1 375.469 3.044 20 5 GGBDMO COc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OC(=O)C1CC1 ZINC000278667178 1435411748 /nfs/dbraw/zinc/41/17/48/1435411748.db2.gz LBRHTPHTNZGVJC-UHFFFAOYSA-N 1 1 396.403 3.085 20 5 GGBDMO CSc1cc2c(cc1C[NH2+]Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)OCCO2 ZINC000278762676 1435421154 /nfs/dbraw/zinc/42/11/54/1435421154.db2.gz TXTQBNKETLYGAD-UHFFFAOYSA-N 1 1 386.433 3.254 20 5 GGBDMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000278837918 1435429117 /nfs/dbraw/zinc/42/91/17/1435429117.db2.gz KNKWFUDUEONKLK-ZDUSSCGKSA-N 1 1 389.477 3.135 20 5 GGBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000278837918 1435429120 /nfs/dbraw/zinc/42/91/20/1435429120.db2.gz KNKWFUDUEONKLK-ZDUSSCGKSA-N 1 1 389.477 3.135 20 5 GGBDMO CCn1nccc1C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000278858001 1435431914 /nfs/dbraw/zinc/43/19/14/1435431914.db2.gz KVBRSXIKWUIMAT-OAHLLOKOSA-N 1 1 385.468 3.326 20 5 GGBDMO NC(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000279151741 1435465571 /nfs/dbraw/zinc/46/55/71/1435465571.db2.gz AMRIFWVWIXYPHT-UHFFFAOYSA-N 1 1 387.411 3.014 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279409020 1435496049 /nfs/dbraw/zinc/49/60/49/1435496049.db2.gz KHBGHKZRVNKGOE-AWEZNQCLSA-N 1 1 386.427 3.053 20 5 GGBDMO COc1cc(C[N@@H+](C)CCCCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000279424088 1435497834 /nfs/dbraw/zinc/49/78/34/1435497834.db2.gz NMTFKIFVRMCZMK-UHFFFAOYSA-N 1 1 380.363 3.139 20 5 GGBDMO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1Cc1ccccc1 ZINC000279531142 1435510206 /nfs/dbraw/zinc/51/02/06/1435510206.db2.gz VYNBHOIAFXHXKX-CQSZACIVSA-N 1 1 386.427 3.053 20 5 GGBDMO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000279585569 1435516133 /nfs/dbraw/zinc/51/61/33/1435516133.db2.gz AIYLODYWKUJLDH-UHFFFAOYSA-N 1 1 398.463 3.331 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000279806025 1435545514 /nfs/dbraw/zinc/54/55/14/1435545514.db2.gz WXTXSZFNFXQHGH-ZDUSSCGKSA-N 1 1 389.477 3.232 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000279806025 1435545519 /nfs/dbraw/zinc/54/55/19/1435545519.db2.gz WXTXSZFNFXQHGH-ZDUSSCGKSA-N 1 1 389.477 3.232 20 5 GGBDMO CN(C(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)c1ccccc1 ZINC000280709076 1435707660 /nfs/dbraw/zinc/70/76/60/1435707660.db2.gz HJSMNVWJEUTAAG-CQSZACIVSA-N 1 1 380.404 3.221 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c2c(c1)COCO2 ZINC000280716067 1435708545 /nfs/dbraw/zinc/70/85/45/1435708545.db2.gz BTZITNDWSLXJLP-IPMKNSEASA-N 1 1 376.453 3.367 20 5 GGBDMO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280820448 1435726092 /nfs/dbraw/zinc/72/60/92/1435726092.db2.gz JZBVFIMYXDFQPD-OAHLLOKOSA-N 1 1 397.884 3.397 20 5 GGBDMO Cc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H](C)S(C)(=O)=O)cc1 ZINC000280943249 1435745256 /nfs/dbraw/zinc/74/52/56/1435745256.db2.gz WHULVCJJBZUMDC-HNAYVOBHSA-N 1 1 376.478 3.476 20 5 GGBDMO O=c1[nH]c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000281000434 1435754188 /nfs/dbraw/zinc/75/41/88/1435754188.db2.gz PMXSETOWEZCMQL-UHFFFAOYSA-N 1 1 397.410 3.095 20 5 GGBDMO Cc1cc(OCC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000281115144 1435777084 /nfs/dbraw/zinc/77/70/84/1435777084.db2.gz NNJHDFDCQNGWEH-HOTGVXAUSA-N 1 1 375.469 3.051 20 5 GGBDMO O=c1[nH]c(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000281242080 1435800422 /nfs/dbraw/zinc/80/04/22/1435800422.db2.gz TXWUTQHJOKTXPY-MRXNPFEDSA-N 1 1 393.447 3.220 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000282605271 1435853394 /nfs/dbraw/zinc/85/33/94/1435853394.db2.gz GQEKNKSMUKGQSH-UHFFFAOYSA-N 1 1 399.447 3.121 20 5 GGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000284042010 1435979298 /nfs/dbraw/zinc/97/92/98/1435979298.db2.gz IZXNZHBIIUPCML-CYBMUJFWSA-N 1 1 384.392 3.481 20 5 GGBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H](C)O1 ZINC000284117142 1435993633 /nfs/dbraw/zinc/99/36/33/1435993633.db2.gz UAUYQDUACNSOAO-MCIONIFRSA-N 1 1 396.875 3.354 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284719384 1436042935 /nfs/dbraw/zinc/04/29/35/1436042935.db2.gz JHONHEHATTTWPC-FQEVSTJZSA-N 1 1 396.491 3.091 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000284719384 1436042938 /nfs/dbraw/zinc/04/29/38/1436042938.db2.gz JHONHEHATTTWPC-FQEVSTJZSA-N 1 1 396.491 3.091 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000284719384 1436042941 /nfs/dbraw/zinc/04/29/41/1436042941.db2.gz JHONHEHATTTWPC-FQEVSTJZSA-N 1 1 396.491 3.091 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164811377 720099495 /nfs/dbraw/zinc/09/94/95/720099495.db2.gz ODJQAXKABPBYLG-PGRDOPGGSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001164815847 720141129 /nfs/dbraw/zinc/14/11/29/720141129.db2.gz WKRXWTOFAQXKEB-PGRDOPGGSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001164818532 720154592 /nfs/dbraw/zinc/15/45/92/720154592.db2.gz TVJLVKNWLIZETP-XMSQKQJNSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001164814163 720199142 /nfs/dbraw/zinc/19/91/42/720199142.db2.gz TYIATTGCPQCMGO-GCJKJVERSA-N 1 1 396.491 3.328 20 5 GGBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164725697 720424693 /nfs/dbraw/zinc/42/46/93/720424693.db2.gz AQHYXTOWNKXUAS-VQTJNVASSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164724374 720478670 /nfs/dbraw/zinc/47/86/70/720478670.db2.gz FRWFWXZZBKQENO-PMACEKPBSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164724377 720479061 /nfs/dbraw/zinc/47/90/61/720479061.db2.gz FRWFWXZZBKQENO-WOJBJXKFSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164724375 720479318 /nfs/dbraw/zinc/47/93/18/720479318.db2.gz FRWFWXZZBKQENO-UXHICEINSA-N 1 1 375.432 3.391 20 5 GGBDMO Cc1c(C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164835839 720555777 /nfs/dbraw/zinc/55/57/77/720555777.db2.gz IDSVQKPPUPDTSY-CEXWTWQISA-N 1 1 398.511 3.181 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164839178 720556523 /nfs/dbraw/zinc/55/65/23/720556523.db2.gz PSJJIQSDWPDJKG-GUDVDZBRSA-N 1 1 398.511 3.181 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]2C ZINC001164854860 720924697 /nfs/dbraw/zinc/92/46/97/720924697.db2.gz GIFSJTJCVNLQHO-LBPRGKRZSA-N 1 1 378.864 3.261 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)[C@H]2C ZINC001164863586 720982206 /nfs/dbraw/zinc/98/22/06/720982206.db2.gz WWODILWKGUJQEU-ZDUSSCGKSA-N 1 1 383.456 3.089 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3cccc([N+](=O)[O-])c31)[C@@H]2C ZINC001164858837 721017348 /nfs/dbraw/zinc/01/73/48/721017348.db2.gz HTCFDEYUOHWQQR-CQSZACIVSA-N 1 1 395.467 3.156 20 5 GGBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@H]3C2)cn1 ZINC001164770379 721096491 /nfs/dbraw/zinc/09/64/91/721096491.db2.gz PVQNVGDMNHSFSR-NHCUHLMSSA-N 1 1 398.514 3.475 20 5 GGBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)cn1 ZINC001164770387 721096787 /nfs/dbraw/zinc/09/67/87/721096787.db2.gz PVQNVGDMNHSFSR-SFTDATJTSA-N 1 1 398.514 3.475 20 5 GGBDMO Cc1cc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164785899 721399843 /nfs/dbraw/zinc/39/98/43/721399843.db2.gz NNXORAUGHTUTFK-GJZGRUSLSA-N 1 1 395.488 3.476 20 5 GGBDMO O=[N+]([O-])c1cccc2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164782174 721407098 /nfs/dbraw/zinc/40/70/98/721407098.db2.gz DYIJORTWCXEABB-HUUCEWRRSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896281 721511539 /nfs/dbraw/zinc/51/15/39/721511539.db2.gz AMYLWLMBOISGNN-GDBMZVCRSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164901065 721511760 /nfs/dbraw/zinc/51/17/60/721511760.db2.gz WHNLTSUTKORLOK-GOEBONIOSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901032 721518496 /nfs/dbraw/zinc/51/84/96/721518496.db2.gz WBMIKSOHWDGTAO-HIFRSBDPSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901030 721519198 /nfs/dbraw/zinc/51/91/98/721519198.db2.gz WBMIKSOHWDGTAO-DZGCQCFKSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901035 721519709 /nfs/dbraw/zinc/51/97/09/721519709.db2.gz WBMIKSOHWDGTAO-ZFWWWQNUSA-N 1 1 392.818 3.124 20 5 GGBDMO Cc1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c([N+](=O)[O-])c1 ZINC001164908361 721745732 /nfs/dbraw/zinc/74/57/32/721745732.db2.gz GPICLACVOPYYQS-UHFFFAOYSA-N 1 1 393.447 3.481 20 5 GGBDMO Cc1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c([N+](=O)[O-])c1 ZINC001164908361 721745737 /nfs/dbraw/zinc/74/57/37/721745737.db2.gz GPICLACVOPYYQS-UHFFFAOYSA-N 1 1 393.447 3.481 20 5 GGBDMO Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165025422 721800804 /nfs/dbraw/zinc/80/08/04/721800804.db2.gz OCYHFRKWDRXIAU-QRFRQXIXSA-N 1 1 381.480 3.430 20 5 GGBDMO Cc1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165025024 721801265 /nfs/dbraw/zinc/80/12/65/721801265.db2.gz NECKKPJDXWRPSA-QXAKKESOSA-N 1 1 381.480 3.430 20 5 GGBDMO COc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165028254 721809196 /nfs/dbraw/zinc/80/91/96/721809196.db2.gz WTDIABOSZJUGJD-JQHSSLGASA-N 1 1 397.479 3.130 20 5 GGBDMO COc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165028251 721809241 /nfs/dbraw/zinc/80/92/41/721809241.db2.gz WTDIABOSZJUGJD-CGTJXYLNSA-N 1 1 397.479 3.130 20 5 GGBDMO COc1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165025222 721810312 /nfs/dbraw/zinc/81/03/12/721810312.db2.gz MARZHHPBAHIPAH-KFKAGJAMSA-N 1 1 397.479 3.130 20 5 GGBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164928837 721859790 /nfs/dbraw/zinc/85/97/90/721859790.db2.gz OPQUSQPPVMGIGZ-CVEARBPZSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164928837 721859791 /nfs/dbraw/zinc/85/97/91/721859791.db2.gz OPQUSQPPVMGIGZ-CVEARBPZSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164929553 721888893 /nfs/dbraw/zinc/88/88/93/721888893.db2.gz BQMQHYSOYKTWGO-JKSUJKDBSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164929553 721888894 /nfs/dbraw/zinc/88/88/94/721888894.db2.gz BQMQHYSOYKTWGO-JKSUJKDBSA-N 1 1 389.887 3.011 20 5 GGBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(C)cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164937843 721921168 /nfs/dbraw/zinc/92/11/68/721921168.db2.gz GCZUUFUSPJHEFC-UHFFFAOYSA-N 1 1 396.491 3.478 20 5 GGBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968272 722077749 /nfs/dbraw/zinc/07/77/49/722077749.db2.gz YYNOFJBBRCANSD-GASCZTMLSA-N 1 1 388.855 3.096 20 5 GGBDMO C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001589306560 953746484 /nfs/dbraw/zinc/74/64/84/953746484.db2.gz YGGRNWQIZKQPIN-QFBILLFUSA-N 1 1 389.496 3.034 20 5 GGBDMO O=C([O-])C[C@@H]1CCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001606094600 973260983 /nfs/dbraw/zinc/26/09/83/973260983.db2.gz AGIIZXCFSUXFMW-IBGZPJMESA-N 1 1 389.496 3.036 20 5 GGBDMO C[N@@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)CC(=O)[O-] ZINC001598461972 991961039 /nfs/dbraw/zinc/96/10/39/991961039.db2.gz KZLAIKODTKRCAY-UHFFFAOYSA-N 1 1 377.485 3.034 20 5 GGBDMO COc1cc(C[N@@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000359865322 212120068 /nfs/dbraw/zinc/12/00/68/212120068.db2.gz DJWHOBXLGYEZMK-LLVKDONJSA-N 1 1 378.347 3.013 20 5 GGBDMO COc1cc(C[N@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000359865322 212120071 /nfs/dbraw/zinc/12/00/71/212120071.db2.gz DJWHOBXLGYEZMK-LLVKDONJSA-N 1 1 378.347 3.013 20 5 GGBDMO NC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000011174469 221112244 /nfs/dbraw/zinc/11/22/44/221112244.db2.gz WGNYUYARPNUJFZ-UHFFFAOYSA-N 1 1 388.855 3.059 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c2)CCO1 ZINC000058162289 222042751 /nfs/dbraw/zinc/04/27/51/222042751.db2.gz OWOCCVZVOGENIB-OAHLLOKOSA-N 1 1 384.436 3.137 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c2)CCO1 ZINC000058162289 222042754 /nfs/dbraw/zinc/04/27/54/222042754.db2.gz OWOCCVZVOGENIB-OAHLLOKOSA-N 1 1 384.436 3.137 20 5 GGBDMO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000119687971 564283094 /nfs/dbraw/zinc/28/30/94/564283094.db2.gz GIUCRNOTVIZKSJ-NSHDSACASA-N 1 1 383.857 3.007 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121902149 564392274 /nfs/dbraw/zinc/39/22/74/564392274.db2.gz DOJAKQOXHAAPHL-UHFFFAOYSA-N 1 1 381.230 3.072 20 5 GGBDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122545937 564418138 /nfs/dbraw/zinc/41/81/38/564418138.db2.gz BPEDOQYEEVPDQB-NSHDSACASA-N 1 1 383.857 3.089 20 5 GGBDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122545937 564418142 /nfs/dbraw/zinc/41/81/42/564418142.db2.gz BPEDOQYEEVPDQB-NSHDSACASA-N 1 1 383.857 3.089 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000122792370 564427498 /nfs/dbraw/zinc/42/74/98/564427498.db2.gz YRQVITXOHFGGLY-GFCCVEGCSA-N 1 1 384.274 3.161 20 5 GGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000124056003 564470071 /nfs/dbraw/zinc/47/00/71/564470071.db2.gz RLTIEBJSIHJGCF-GFCCVEGCSA-N 1 1 384.274 3.065 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000124056218 564470127 /nfs/dbraw/zinc/47/01/27/564470127.db2.gz RLTIEBJSIHJGCF-LBPRGKRZSA-N 1 1 384.274 3.065 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000124382348 564480799 /nfs/dbraw/zinc/48/07/99/564480799.db2.gz TTWHLTWYGINCKT-ZDUSSCGKSA-N 1 1 398.301 3.455 20 5 GGBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Br)c1 ZINC000125798802 564526656 /nfs/dbraw/zinc/52/66/56/564526656.db2.gz LUVWBCZIHCVEQA-IRXDYDNUSA-N 1 1 395.253 3.056 20 5 GGBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Br)c1 ZINC000125799036 564527057 /nfs/dbraw/zinc/52/70/57/564527057.db2.gz LUVWBCZIHCVEQA-DLBZAZTESA-N 1 1 395.253 3.056 20 5 GGBDMO CSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000126313492 564544821 /nfs/dbraw/zinc/54/48/21/564544821.db2.gz KHJODYGSLQVZBB-SNVBAGLBSA-N 1 1 390.303 3.369 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000127119485 564574143 /nfs/dbraw/zinc/57/41/43/564574143.db2.gz GXESDTFPXPPGHJ-JOYOIKCWSA-N 1 1 382.258 3.021 20 5 GGBDMO Cc1c(Br)cc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000127374755 564581787 /nfs/dbraw/zinc/58/17/87/564581787.db2.gz HGRNXVBHJZLZDA-CYBMUJFWSA-N 1 1 398.301 3.373 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000127772365 564595132 /nfs/dbraw/zinc/59/51/32/564595132.db2.gz QIAYVXVQDUBIHB-IUODEOHRSA-N 1 1 396.285 3.222 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000127772828 564595268 /nfs/dbraw/zinc/59/52/68/564595268.db2.gz QIAYVXVQDUBIHB-SWLSCSKDSA-N 1 1 396.285 3.222 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000127914673 564600972 /nfs/dbraw/zinc/60/09/72/564600972.db2.gz PZSBCGUWKPUQTB-IUODEOHRSA-N 1 1 396.285 3.222 20 5 GGBDMO COc1cc(C[N@@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000130551925 564686222 /nfs/dbraw/zinc/68/62/22/564686222.db2.gz QEAIFBKXXMSUSY-LLVKDONJSA-N 1 1 380.388 3.482 20 5 GGBDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000130935149 564696354 /nfs/dbraw/zinc/69/63/54/564696354.db2.gz MWYXNWQDQSGHSM-UHFFFAOYSA-N 1 1 383.857 3.005 20 5 GGBDMO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc(Br)ccc1F ZINC000131481840 564713621 /nfs/dbraw/zinc/71/36/21/564713621.db2.gz ZAHQMMDMWZIUHM-UHFFFAOYSA-N 1 1 398.232 3.180 20 5 GGBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc(Br)ccc1F ZINC000131481840 564713625 /nfs/dbraw/zinc/71/36/25/564713625.db2.gz ZAHQMMDMWZIUHM-UHFFFAOYSA-N 1 1 398.232 3.180 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000134463773 564804478 /nfs/dbraw/zinc/80/44/78/564804478.db2.gz SXNOKGQUPGJUBI-SNVBAGLBSA-N 1 1 375.376 3.146 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](CO)C3)o2)c(Br)c1 ZINC000092764000 564881222 /nfs/dbraw/zinc/88/12/22/564881222.db2.gz KCDRFPFKZHUFRL-NSHDSACASA-N 1 1 381.226 3.432 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151485847 564922543 /nfs/dbraw/zinc/92/25/43/564922543.db2.gz RIZJQXZSGUZCQO-ZDUSSCGKSA-N 1 1 398.301 3.281 20 5 GGBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc2C1 ZINC000151592734 564928364 /nfs/dbraw/zinc/92/83/64/564928364.db2.gz YIBSQOMDGWYWCM-UHFFFAOYSA-N 1 1 390.237 3.450 20 5 GGBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2ccccc2C1 ZINC000151592734 564928365 /nfs/dbraw/zinc/92/83/65/564928365.db2.gz YIBSQOMDGWYWCM-UHFFFAOYSA-N 1 1 390.237 3.450 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000152609521 564964857 /nfs/dbraw/zinc/96/48/57/564964857.db2.gz DZBRVWHYVXLBAV-UHFFFAOYSA-N 1 1 398.282 3.245 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000152609521 564964860 /nfs/dbraw/zinc/96/48/60/564964860.db2.gz DZBRVWHYVXLBAV-UHFFFAOYSA-N 1 1 398.282 3.245 20 5 GGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154763243 565051655 /nfs/dbraw/zinc/05/16/55/565051655.db2.gz XLCCIOLXRPKXSK-CQSZACIVSA-N 1 1 398.301 3.281 20 5 GGBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Br ZINC000155052166 565060601 /nfs/dbraw/zinc/06/06/01/565060601.db2.gz CQACVJJITLNTPR-OAHLLOKOSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155194575 565063806 /nfs/dbraw/zinc/06/38/06/565063806.db2.gz QKSCIRXZDDXEIT-FZMZJTMJSA-N 1 1 397.273 3.305 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183698359 565088887 /nfs/dbraw/zinc/08/88/87/565088887.db2.gz FZTYDUXCQRPYLY-UHFFFAOYSA-N 1 1 382.873 3.394 20 5 GGBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267272366 565112626 /nfs/dbraw/zinc/11/26/26/565112626.db2.gz SOVBIFBNFIKCDU-LLVKDONJSA-N 1 1 380.246 3.353 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267956662 565135458 /nfs/dbraw/zinc/13/54/58/565135458.db2.gz YHESCTCMVIFPEE-UHFFFAOYSA-N 1 1 399.220 3.212 20 5 GGBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000293024590 565147100 /nfs/dbraw/zinc/14/71/00/565147100.db2.gz UZTPVLWQQINVFZ-NSHDSACASA-N 1 1 390.267 3.132 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCC[C@H](C)C1 ZINC000159872964 565221677 /nfs/dbraw/zinc/22/16/77/565221677.db2.gz JPMGXJBQGHBSJU-RYUDHWBXSA-N 1 1 384.274 3.208 20 5 GGBDMO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000271652770 565262413 /nfs/dbraw/zinc/26/24/13/565262413.db2.gz IOJJVDPNQLDDKS-LLVKDONJSA-N 1 1 383.857 3.007 20 5 GGBDMO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000373004981 565264135 /nfs/dbraw/zinc/26/41/35/565264135.db2.gz XIXGAXOJHVJTCM-ZDUSSCGKSA-N 1 1 379.258 3.470 20 5 GGBDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000373004981 565264139 /nfs/dbraw/zinc/26/41/39/565264139.db2.gz XIXGAXOJHVJTCM-ZDUSSCGKSA-N 1 1 379.258 3.470 20 5 GGBDMO C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272792389 565297905 /nfs/dbraw/zinc/29/79/05/565297905.db2.gz CLBQTURPBBRUMW-NEPJUHHUSA-N 1 1 387.527 3.125 20 5 GGBDMO C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272792389 565297908 /nfs/dbraw/zinc/29/79/08/565297908.db2.gz CLBQTURPBBRUMW-NEPJUHHUSA-N 1 1 387.527 3.125 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000161921084 565298197 /nfs/dbraw/zinc/29/81/97/565298197.db2.gz CNUHKMDFPSTPJG-IAQYHMDHSA-N 1 1 381.274 3.205 20 5 GGBDMO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000272822500 565298636 /nfs/dbraw/zinc/29/86/36/565298636.db2.gz JCGCZVHJMGOCIJ-OAHLLOKOSA-N 1 1 383.857 3.137 20 5 GGBDMO Cc1c(Br)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000297137809 565358206 /nfs/dbraw/zinc/35/82/06/565358206.db2.gz UQNCJTKPJNFNOC-YHWZYXNKSA-N 1 1 382.258 3.021 20 5 GGBDMO COc1c(Br)cccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376034580 565418677 /nfs/dbraw/zinc/41/86/77/565418677.db2.gz LFBSWORNEOTKGS-UHFFFAOYSA-N 1 1 395.257 3.400 20 5 GGBDMO C[NH+](C)CCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000275691018 565424633 /nfs/dbraw/zinc/42/46/33/565424633.db2.gz IKRXJZSNECKZJZ-UHFFFAOYSA-N 1 1 383.857 3.153 20 5 GGBDMO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000171841291 565454323 /nfs/dbraw/zinc/45/43/23/565454323.db2.gz FXDIGAWTNWXYIQ-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000171841291 565454327 /nfs/dbraw/zinc/45/43/27/565454327.db2.gz FXDIGAWTNWXYIQ-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1Br ZINC000277381143 565493679 /nfs/dbraw/zinc/49/36/79/565493679.db2.gz BEAMEFBJFVCEPB-GFCCVEGCSA-N 1 1 382.258 3.104 20 5 GGBDMO O=[N+]([O-])c1cc(Br)cnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000301680041 565504636 /nfs/dbraw/zinc/50/46/36/565504636.db2.gz JGQKZWOVBDQBCL-UHFFFAOYSA-N 1 1 391.269 3.465 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cn1 ZINC000301690178 565504852 /nfs/dbraw/zinc/50/48/52/565504852.db2.gz NGURQLBPROYSCU-UHFFFAOYSA-N 1 1 389.213 3.254 20 5 GGBDMO C[C@@H]1C[N@H+](C(C)(C)CNc2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301694738 565505561 /nfs/dbraw/zinc/50/55/61/565505561.db2.gz PBNQCEJOAPMZMB-PHIMTYICSA-N 1 1 387.278 3.052 20 5 GGBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301694738 565505565 /nfs/dbraw/zinc/50/55/65/565505565.db2.gz PBNQCEJOAPMZMB-PHIMTYICSA-N 1 1 387.278 3.052 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNc2c(Br)cncc2[N+](=O)[O-])cn1 ZINC000301874477 565515781 /nfs/dbraw/zinc/51/57/81/565515781.db2.gz IAZQHYAIORPZPC-UHFFFAOYSA-N 1 1 389.213 3.254 20 5 GGBDMO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000301872576 565515877 /nfs/dbraw/zinc/51/58/77/565515877.db2.gz DFNLUSNVOFILOP-RISCZKNCSA-N 1 1 381.274 3.205 20 5 GGBDMO CC(C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000301920066 565517460 /nfs/dbraw/zinc/51/74/60/565517460.db2.gz CQORFZCBRPYERQ-CQSZACIVSA-N 1 1 389.543 3.228 20 5 GGBDMO CC1CCC([NH+]2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)CC1 ZINC000301899863 565517789 /nfs/dbraw/zinc/51/77/89/565517789.db2.gz UDCYPUUAWQDYFC-UHFFFAOYSA-N 1 1 383.290 3.453 20 5 GGBDMO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378286169 565520435 /nfs/dbraw/zinc/52/04/35/565520435.db2.gz RXLUNHJMNUDVHV-RYUDHWBXSA-N 1 1 383.246 3.106 20 5 GGBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000302609274 565547833 /nfs/dbraw/zinc/54/78/33/565547833.db2.gz BGXPYMBALFFIEZ-CYBMUJFWSA-N 1 1 385.306 3.043 20 5 GGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000309865777 565577532 /nfs/dbraw/zinc/57/75/32/565577532.db2.gz FJMLBBGSUULIOX-CYBMUJFWSA-N 1 1 377.242 3.439 20 5 GGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000309865777 565577537 /nfs/dbraw/zinc/57/75/37/565577537.db2.gz FJMLBBGSUULIOX-CYBMUJFWSA-N 1 1 377.242 3.439 20 5 GGBDMO O=[N+]([O-])c1cncc(Br)c1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743544 565577753 /nfs/dbraw/zinc/57/77/53/565577753.db2.gz STDRWKYEJQYJLR-ZDUSSCGKSA-N 1 1 377.242 3.439 20 5 GGBDMO O=[N+]([O-])c1cncc(Br)c1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309743544 565577755 /nfs/dbraw/zinc/57/77/55/565577755.db2.gz STDRWKYEJQYJLR-ZDUSSCGKSA-N 1 1 377.242 3.439 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173810392 565588250 /nfs/dbraw/zinc/58/82/50/565588250.db2.gz BVUGZOOXHWHWSY-LBPRGKRZSA-N 1 1 384.274 3.161 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000408004904 565590602 /nfs/dbraw/zinc/59/06/02/565590602.db2.gz ZWKTVSCGKSZQGI-WBMJQRKESA-N 1 1 396.285 3.222 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000408004902 565590907 /nfs/dbraw/zinc/59/09/07/565590907.db2.gz ZWKTVSCGKSZQGI-MLGOLLRUSA-N 1 1 396.285 3.222 20 5 GGBDMO COC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000322783310 565609999 /nfs/dbraw/zinc/60/99/99/565609999.db2.gz JLEJGYFGHOYNIC-UHFFFAOYSA-N 1 1 379.210 3.434 20 5 GGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000280288147 565663392 /nfs/dbraw/zinc/66/33/92/565663392.db2.gz DZLMDWVAMMUHLR-MNOVXSKESA-N 1 1 393.241 3.430 20 5 GGBDMO Cc1c(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000280740082 565692661 /nfs/dbraw/zinc/69/26/61/565692661.db2.gz LKPGMXVWVJFXMO-ABAIWWIYSA-N 1 1 397.273 3.224 20 5 GGBDMO Cc1c(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000280740087 565692954 /nfs/dbraw/zinc/69/29/54/565692954.db2.gz LKPGMXVWVJFXMO-NHYWBVRUSA-N 1 1 397.273 3.224 20 5 GGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(Br)cc1 ZINC000192639782 565702967 /nfs/dbraw/zinc/70/29/67/565702967.db2.gz DCFXAQVZEDUHIA-OAHLLOKOSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(Br)cc1 ZINC000192639782 565702969 /nfs/dbraw/zinc/70/29/69/565702969.db2.gz DCFXAQVZEDUHIA-OAHLLOKOSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@H+](CCSc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000193744276 565773897 /nfs/dbraw/zinc/77/38/97/565773897.db2.gz MIMNCZRNWWQHKM-UHFFFAOYSA-N 1 1 380.491 3.222 20 5 GGBDMO C[N@@H+](CCSc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000193744276 565773902 /nfs/dbraw/zinc/77/39/02/565773902.db2.gz MIMNCZRNWWQHKM-UHFFFAOYSA-N 1 1 380.491 3.222 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412304926 565780200 /nfs/dbraw/zinc/78/02/00/565780200.db2.gz BNAKHNLVQRFPKJ-UHFFFAOYSA-N 1 1 396.285 3.305 20 5 GGBDMO O=[N+]([O-])c1cc(C[NH2+][C@]2(CO)CCOc3ccccc32)ccc1Br ZINC000282458839 565780057 /nfs/dbraw/zinc/78/00/57/565780057.db2.gz SXNWXRQXZXLGEM-KRWDZBQOSA-N 1 1 393.237 3.117 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176927076 565815352 /nfs/dbraw/zinc/81/53/52/565815352.db2.gz AEGJJUBZECTJAL-LBPRGKRZSA-N 1 1 384.274 3.352 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177024532 565824195 /nfs/dbraw/zinc/82/41/95/565824195.db2.gz ALDYSCUOIGBHKX-NWDGAFQWSA-N 1 1 384.274 3.208 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332308310 565827626 /nfs/dbraw/zinc/82/76/26/565827626.db2.gz MATLBPRZWLVUOF-HUUCEWRRSA-N 1 1 382.258 3.022 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000332410487 565835460 /nfs/dbraw/zinc/83/54/60/565835460.db2.gz GDRVPJZMALFSEL-UHFFFAOYSA-N 1 1 379.258 3.470 20 5 GGBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000332496227 565840243 /nfs/dbraw/zinc/84/02/43/565840243.db2.gz BVULCPCLHYJHGU-AAEUAGOBSA-N 1 1 382.258 3.056 20 5 GGBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332509484 565841618 /nfs/dbraw/zinc/84/16/18/565841618.db2.gz HJBWBXKZZMAYRG-BXUZGUMPSA-N 1 1 382.258 3.056 20 5 GGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332595747 565846373 /nfs/dbraw/zinc/84/63/73/565846373.db2.gz GQMLTZGJCUSYAB-CHWSQXEVSA-N 1 1 382.258 3.056 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000284226905 565847060 /nfs/dbraw/zinc/84/70/60/565847060.db2.gz DQWIDEFKGLEWFB-BONVTDFDSA-N 1 1 384.274 3.078 20 5 GGBDMO Cc1c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000332608410 565847151 /nfs/dbraw/zinc/84/71/51/565847151.db2.gz FJJZEEOKRCRUAP-GXFFZTMASA-N 1 1 397.273 3.366 20 5 GGBDMO Cc1c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000332608419 565847445 /nfs/dbraw/zinc/84/74/45/565847445.db2.gz FJJZEEOKRCRUAP-ZWNOBZJWSA-N 1 1 397.273 3.366 20 5 GGBDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000195568683 565890028 /nfs/dbraw/zinc/89/00/28/565890028.db2.gz KTYIBIYXQOTSGG-MRXNPFEDSA-N 1 1 383.495 3.018 20 5 GGBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000179410623 565979962 /nfs/dbraw/zinc/97/99/62/565979962.db2.gz XCWLSYGWBJAUSO-UHFFFAOYSA-N 1 1 396.241 3.185 20 5 GGBDMO Cc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245501510 565993056 /nfs/dbraw/zinc/99/30/56/565993056.db2.gz AUYCAPKSURGLPF-YGRLFVJLSA-N 1 1 384.274 3.078 20 5 GGBDMO CC(C)[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000179658863 565997922 /nfs/dbraw/zinc/99/79/22/565997922.db2.gz AUGJYEAETRXLLP-UHFFFAOYSA-N 1 1 396.241 3.313 20 5 GGBDMO CC(C)[N@@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000179658863 565997923 /nfs/dbraw/zinc/99/79/23/565997923.db2.gz AUGJYEAETRXLLP-UHFFFAOYSA-N 1 1 396.241 3.313 20 5 GGBDMO CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287212396 566004346 /nfs/dbraw/zinc/00/43/46/566004346.db2.gz UVTHNWFGBWBXBR-FUNVUKJBSA-N 1 1 397.273 3.446 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)cs2)c1 ZINC000245754475 566004535 /nfs/dbraw/zinc/00/45/35/566004535.db2.gz HLSUBQDAEMKWJT-HZPDHXFCSA-N 1 1 377.491 3.425 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)cs2)c1 ZINC000245754475 566004542 /nfs/dbraw/zinc/00/45/42/566004542.db2.gz HLSUBQDAEMKWJT-HZPDHXFCSA-N 1 1 377.491 3.425 20 5 GGBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCC[C@H](C)C1 ZINC000246077530 566016052 /nfs/dbraw/zinc/01/60/52/566016052.db2.gz JYJWSZBUSNDNOU-QWHCGFSZSA-N 1 1 398.301 3.136 20 5 GGBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCC[C@@H](C)C1 ZINC000246077522 566016511 /nfs/dbraw/zinc/01/65/11/566016511.db2.gz JYJWSZBUSNDNOU-CHWSQXEVSA-N 1 1 398.301 3.136 20 5 GGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246156470 566018705 /nfs/dbraw/zinc/01/87/05/566018705.db2.gz IFMKNVXAWQGACI-OLZOCXBDSA-N 1 1 398.301 3.136 20 5 GGBDMO C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000287542893 566024426 /nfs/dbraw/zinc/02/44/26/566024426.db2.gz BQYCPZJNIOEXJB-XHDPSFHLSA-N 1 1 383.495 3.163 20 5 GGBDMO Cc1nc(-c2cc3c(s2)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C3)cs1 ZINC000180875389 566095851 /nfs/dbraw/zinc/09/58/51/566095851.db2.gz SMCJAXMQYDURNM-UHFFFAOYSA-N 1 1 375.479 3.343 20 5 GGBDMO Cc1nc(-c2cc3c(s2)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C3)cs1 ZINC000180875389 566095856 /nfs/dbraw/zinc/09/58/56/566095856.db2.gz SMCJAXMQYDURNM-UHFFFAOYSA-N 1 1 375.479 3.343 20 5 GGBDMO CCN1CC[NH+]([C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000289750848 566138930 /nfs/dbraw/zinc/13/89/30/566138930.db2.gz IVQNECZHLPDJLR-OAHLLOKOSA-N 1 1 387.311 3.113 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000181559299 566148704 /nfs/dbraw/zinc/14/87/04/566148704.db2.gz WPGXACOALJRFSF-ZDUSSCGKSA-N 1 1 383.857 3.352 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000366603400 566160491 /nfs/dbraw/zinc/16/04/91/566160491.db2.gz MTRXJOCEQZACFL-OLZOCXBDSA-N 1 1 382.258 3.022 20 5 GGBDMO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000181731478 566162324 /nfs/dbraw/zinc/16/23/24/566162324.db2.gz IGEKMAZCGFQWIT-OAHLLOKOSA-N 1 1 383.857 3.137 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)o2)c(Br)c1 ZINC000368348316 566236273 /nfs/dbraw/zinc/23/62/73/566236273.db2.gz MORNLWGAQATCAK-FICVDOATSA-N 1 1 393.237 3.287 20 5 GGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599493000 566268927 /nfs/dbraw/zinc/26/89/27/566268927.db2.gz HXUWCJLMQWSLDP-GFCCVEGCSA-N 1 1 384.274 3.352 20 5 GGBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000599543426 566274347 /nfs/dbraw/zinc/27/43/47/566274347.db2.gz AKIWNBSPHYKMNH-UHFFFAOYSA-N 1 1 396.285 3.448 20 5 GGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599597685 566279087 /nfs/dbraw/zinc/27/90/87/566279087.db2.gz KWMAJDSFJDRSGA-GFCCVEGCSA-N 1 1 384.274 3.304 20 5 GGBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCCC[C@H]1C ZINC000445823054 566312793 /nfs/dbraw/zinc/31/27/93/566312793.db2.gz ZYOJQNAQCNBYKK-OLZOCXBDSA-N 1 1 398.301 3.279 20 5 GGBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCCC[C@@H]1C ZINC000445823056 566314444 /nfs/dbraw/zinc/31/44/44/566314444.db2.gz ZYOJQNAQCNBYKK-STQMWFEESA-N 1 1 398.301 3.279 20 5 GGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600087530 566314818 /nfs/dbraw/zinc/31/48/18/566314818.db2.gz MQVKCNBADZJFOY-LLVKDONJSA-N 1 1 384.274 3.208 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600119635 566318029 /nfs/dbraw/zinc/31/80/29/566318029.db2.gz QZPLKYMLHKPSDL-CYBMUJFWSA-N 1 1 396.285 3.209 20 5 GGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445884496 566318143 /nfs/dbraw/zinc/31/81/43/566318143.db2.gz JQWBBFAJQCKEGS-CYBMUJFWSA-N 1 1 381.230 3.009 20 5 GGBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000509691803 566329446 /nfs/dbraw/zinc/32/94/46/566329446.db2.gz FAGWJBZOAHXMAT-LBPRGKRZSA-N 1 1 384.274 3.127 20 5 GGBDMO Cc1c(Br)cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600313908 566333004 /nfs/dbraw/zinc/33/30/04/566333004.db2.gz LJOYASKPDWNQJU-LBPRGKRZSA-N 1 1 384.274 3.127 20 5 GGBDMO CN(CCOCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000600775371 566366137 /nfs/dbraw/zinc/36/61/37/566366137.db2.gz NGMVJVHWGAIIGF-UHFFFAOYSA-N 1 1 398.257 3.024 20 5 GGBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C2 ZINC000601184474 566395031 /nfs/dbraw/zinc/39/50/31/566395031.db2.gz MAPKZHKBCRSVKT-JTQLQIEISA-N 1 1 385.251 3.368 20 5 GGBDMO C[N@@H+](Cc1ccccc1)C1CN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000557737412 566412777 /nfs/dbraw/zinc/41/27/77/566412777.db2.gz XHEZJYLMQRTBAK-UHFFFAOYSA-N 1 1 377.242 3.073 20 5 GGBDMO C[N@H+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000557741320 566413985 /nfs/dbraw/zinc/41/39/85/566413985.db2.gz KMVQZBBANVUPMY-OAHLLOKOSA-N 1 1 391.269 3.115 20 5 GGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000511127978 566440341 /nfs/dbraw/zinc/44/03/41/566440341.db2.gz WBKODFJMCUEHHW-INIZCTEOSA-N 1 1 392.253 3.058 20 5 GGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000511127978 566440347 /nfs/dbraw/zinc/44/03/47/566440347.db2.gz WBKODFJMCUEHHW-INIZCTEOSA-N 1 1 392.253 3.058 20 5 GGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000511127979 566440510 /nfs/dbraw/zinc/44/05/10/566440510.db2.gz WBKODFJMCUEHHW-MRXNPFEDSA-N 1 1 392.253 3.058 20 5 GGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000511127979 566440517 /nfs/dbraw/zinc/44/05/17/566440517.db2.gz WBKODFJMCUEHHW-MRXNPFEDSA-N 1 1 392.253 3.058 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000448424207 566472925 /nfs/dbraw/zinc/47/29/25/566472925.db2.gz JAIWNBGWQKCQKP-CYBMUJFWSA-N 1 1 398.301 3.455 20 5 GGBDMO Cc1cccc(NCCNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[nH+]1 ZINC000511580315 566473804 /nfs/dbraw/zinc/47/38/04/566473804.db2.gz MQLDHGOXIIJRQV-UHFFFAOYSA-N 1 1 393.241 3.211 20 5 GGBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000558457612 566475106 /nfs/dbraw/zinc/47/51/06/566475106.db2.gz YRVQGHXTVLJBOH-NSHDSACASA-N 1 1 390.221 3.058 20 5 GGBDMO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)NCc1ccccc1 ZINC000602525981 566475814 /nfs/dbraw/zinc/47/58/14/566475814.db2.gz NKWZNSVFACOXIH-SNVBAGLBSA-N 1 1 398.282 3.213 20 5 GGBDMO O=[N+]([O-])c1sc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1Br ZINC000602503953 566476427 /nfs/dbraw/zinc/47/64/27/566476427.db2.gz PTROBOLOVOGJGU-UHFFFAOYSA-N 1 1 385.239 3.480 20 5 GGBDMO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)N1CCCC[C@@H]1C ZINC000602525441 566476483 /nfs/dbraw/zinc/47/64/83/566476483.db2.gz AXAVLZOGVAQOKE-UWVGGRQHSA-N 1 1 390.303 3.298 20 5 GGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCSCC1 ZINC000538621617 566523000 /nfs/dbraw/zinc/52/30/00/566523000.db2.gz HLSFMMWWVCTEIH-UHFFFAOYSA-N 1 1 383.539 3.266 20 5 GGBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000603864646 566543639 /nfs/dbraw/zinc/54/36/39/566543639.db2.gz GKFAQIIHZVDCBR-OLZOCXBDSA-N 1 1 391.269 3.366 20 5 GGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@H]1C ZINC000579137090 566583143 /nfs/dbraw/zinc/58/31/43/566583143.db2.gz BHLDUVOZYGVAPD-GHMZBOCLSA-N 1 1 384.274 3.220 20 5 GGBDMO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425408595 566639744 /nfs/dbraw/zinc/63/97/44/566639744.db2.gz STBRFZIWWIFMBD-LBPRGKRZSA-N 1 1 379.258 3.470 20 5 GGBDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425408595 566639751 /nfs/dbraw/zinc/63/97/51/566639751.db2.gz STBRFZIWWIFMBD-LBPRGKRZSA-N 1 1 379.258 3.470 20 5 GGBDMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425479085 566646895 /nfs/dbraw/zinc/64/68/95/566646895.db2.gz PUVCPOUNBZLADE-OAHLLOKOSA-N 1 1 396.285 3.334 20 5 GGBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425479085 566646896 /nfs/dbraw/zinc/64/68/96/566646896.db2.gz PUVCPOUNBZLADE-OAHLLOKOSA-N 1 1 396.285 3.334 20 5 GGBDMO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000487092832 566647235 /nfs/dbraw/zinc/64/72/35/566647235.db2.gz IFHRGLPXROWJKL-MNOVXSKESA-N 1 1 396.296 3.053 20 5 GGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](CCO)[C@@H]1CCCSC1 ZINC000425466415 566647451 /nfs/dbraw/zinc/64/74/51/566647451.db2.gz ATWBRZSBAHSHRN-CYBMUJFWSA-N 1 1 375.288 3.047 20 5 GGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](CCO)[C@H]1CCCSC1 ZINC000425466420 566647487 /nfs/dbraw/zinc/64/74/87/566647487.db2.gz ATWBRZSBAHSHRN-ZDUSSCGKSA-N 1 1 375.288 3.047 20 5 GGBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000514542556 566653471 /nfs/dbraw/zinc/65/34/71/566653471.db2.gz DMKKEKOEBGSPSG-VXGBXAGGSA-N 1 1 389.905 3.098 20 5 GGBDMO C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000467758388 566662015 /nfs/dbraw/zinc/66/20/15/566662015.db2.gz IOUJOFMTMMLRQS-SECBINFHSA-N 1 1 398.312 3.156 20 5 GGBDMO O=c1c2ccccc2n(Cc2cn3cc(Br)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000487864441 566694243 /nfs/dbraw/zinc/69/42/43/566694243.db2.gz XGSURXIXIQXWBS-UHFFFAOYSA-N 1 1 399.204 3.368 20 5 GGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000468471221 566704568 /nfs/dbraw/zinc/70/45/68/566704568.db2.gz UDZOSBPBXLWNGI-OAHLLOKOSA-N 1 1 398.301 3.136 20 5 GGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000468473492 566704597 /nfs/dbraw/zinc/70/45/97/566704597.db2.gz XMNULFLAQDIAEJ-AWEZNQCLSA-N 1 1 384.274 3.208 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCn1cc(Br)cn1 ZINC000515475793 566714815 /nfs/dbraw/zinc/71/48/15/566714815.db2.gz BDRURQLOHDCUBJ-UHFFFAOYSA-N 1 1 383.246 3.085 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCn1cc(Br)cn1 ZINC000515475793 566714820 /nfs/dbraw/zinc/71/48/20/566714820.db2.gz BDRURQLOHDCUBJ-UHFFFAOYSA-N 1 1 383.246 3.085 20 5 GGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000541577703 566735278 /nfs/dbraw/zinc/73/52/78/566735278.db2.gz WMXRCMVGTNUPBQ-LBPRGKRZSA-N 1 1 394.273 3.489 20 5 GGBDMO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000608835429 566737738 /nfs/dbraw/zinc/73/77/38/566737738.db2.gz CBGBYMAEQSPGPG-JTQLQIEISA-N 1 1 396.241 3.232 20 5 GGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1[N+](=O)[O-] ZINC000468864136 566738471 /nfs/dbraw/zinc/73/84/71/566738471.db2.gz DRZFTGSPJUQDEN-NSHDSACASA-N 1 1 384.479 3.309 20 5 GGBDMO Cc1c(Br)c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000488718522 566742455 /nfs/dbraw/zinc/74/24/55/566742455.db2.gz UYJUGJYTSOSWQE-GMXVVIOVSA-N 1 1 383.290 3.227 20 5 GGBDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000562002626 566756150 /nfs/dbraw/zinc/75/61/50/566756150.db2.gz IHYGRXCDHHHHKX-NSHDSACASA-N 1 1 396.296 3.006 20 5 GGBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000562002626 566756154 /nfs/dbraw/zinc/75/61/54/566756154.db2.gz IHYGRXCDHHHHKX-NSHDSACASA-N 1 1 396.296 3.006 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000581655963 566796383 /nfs/dbraw/zinc/79/63/83/566796383.db2.gz XTIFOUXYKPQOPL-UHFFFAOYSA-N 1 1 384.274 3.270 20 5 GGBDMO CO[C@H](C)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000610134147 566809500 /nfs/dbraw/zinc/80/95/00/566809500.db2.gz OEMGTOPPZVQIIS-LLVKDONJSA-N 1 1 388.262 3.041 20 5 GGBDMO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000469866792 566821661 /nfs/dbraw/zinc/82/16/61/566821661.db2.gz NUVNQXXSIUTXAP-OAHLLOKOSA-N 1 1 377.491 3.004 20 5 GGBDMO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000469866792 566821671 /nfs/dbraw/zinc/82/16/71/566821671.db2.gz NUVNQXXSIUTXAP-OAHLLOKOSA-N 1 1 377.491 3.004 20 5 GGBDMO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000610576946 566845703 /nfs/dbraw/zinc/84/57/03/566845703.db2.gz KIYKROSMNBTDBC-NSHDSACASA-N 1 1 396.296 3.054 20 5 GGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000470172516 566855304 /nfs/dbraw/zinc/85/53/04/566855304.db2.gz XYGOOZVDXJHSLJ-CQSZACIVSA-N 1 1 382.258 3.104 20 5 GGBDMO Cc1c(Br)c(=O)n(Cc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000543148829 566857425 /nfs/dbraw/zinc/85/74/25/566857425.db2.gz NQSCHJKVOXIKNW-UHFFFAOYSA-N 1 1 397.616 3.177 20 5 GGBDMO CCOC1CC([N@@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000582694367 566885911 /nfs/dbraw/zinc/88/59/11/566885911.db2.gz MASJXLMOVZVVFE-UHFFFAOYSA-N 1 1 390.221 3.199 20 5 GGBDMO CC[N@H+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC000611084548 566887649 /nfs/dbraw/zinc/88/76/49/566887649.db2.gz CSPMVFQXOQPLSE-NSHDSACASA-N 1 1 379.258 3.436 20 5 GGBDMO CC[N@H+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H]1C ZINC000611084547 566888209 /nfs/dbraw/zinc/88/82/09/566888209.db2.gz CSPMVFQXOQPLSE-LLVKDONJSA-N 1 1 379.258 3.436 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000611227598 566902207 /nfs/dbraw/zinc/90/22/07/566902207.db2.gz GOFZNMJPXQTUKC-AWEZNQCLSA-N 1 1 391.269 3.463 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429140599 566909322 /nfs/dbraw/zinc/90/93/22/566909322.db2.gz YVTCTNXLKHVZGJ-INIZCTEOSA-N 1 1 379.869 3.277 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000611432919 566917173 /nfs/dbraw/zinc/91/71/73/566917173.db2.gz VAXZXHGYTQRFAG-UHFFFAOYSA-N 1 1 384.267 3.347 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000611432919 566917178 /nfs/dbraw/zinc/91/71/78/566917178.db2.gz VAXZXHGYTQRFAG-UHFFFAOYSA-N 1 1 384.267 3.347 20 5 GGBDMO COc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000492101636 566923568 /nfs/dbraw/zinc/92/35/68/566923568.db2.gz CDAJZHFNIQHESO-AWEZNQCLSA-N 1 1 399.216 3.328 20 5 GGBDMO CC(=O)NCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000519157579 566924021 /nfs/dbraw/zinc/92/40/21/566924021.db2.gz GOBBGYXOXZFZPN-UHFFFAOYSA-N 1 1 396.241 3.185 20 5 GGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000544225357 566948115 /nfs/dbraw/zinc/94/81/15/566948115.db2.gz VUVXLSUDLHGBDU-CYBMUJFWSA-N 1 1 383.901 3.473 20 5 GGBDMO C[N@@H+](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000429827175 566954594 /nfs/dbraw/zinc/95/45/94/566954594.db2.gz BBULNHXJZRQKIX-UHFFFAOYSA-N 1 1 392.253 3.219 20 5 GGBDMO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000472231265 567011680 /nfs/dbraw/zinc/01/16/80/567011680.db2.gz PFESIEDGJQIRPH-HNNXBMFYSA-N 1 1 395.257 3.400 20 5 GGBDMO COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000472231265 567011683 /nfs/dbraw/zinc/01/16/83/567011683.db2.gz PFESIEDGJQIRPH-HNNXBMFYSA-N 1 1 395.257 3.400 20 5 GGBDMO C[N@@H+](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000431438774 567081549 /nfs/dbraw/zinc/08/15/49/567081549.db2.gz OBFABNVFKLNTPO-UHFFFAOYSA-N 1 1 392.253 3.219 20 5 GGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000431500786 567085919 /nfs/dbraw/zinc/08/59/19/567085919.db2.gz TYSNWYSSMDUURM-SMDDNHRTSA-N 1 1 384.274 3.302 20 5 GGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431514194 567086749 /nfs/dbraw/zinc/08/67/49/567086749.db2.gz XPBICLAOUBHVRW-ZDUSSCGKSA-N 1 1 396.285 3.161 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431789625 567106852 /nfs/dbraw/zinc/10/68/52/567106852.db2.gz BOAVBFDKMRMIBD-NWDGAFQWSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000431768422 567107344 /nfs/dbraw/zinc/10/73/44/567107344.db2.gz KNCCJHPTEANMRV-VXGBXAGGSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431789627 567107714 /nfs/dbraw/zinc/10/77/14/567107714.db2.gz BOAVBFDKMRMIBD-VXGBXAGGSA-N 1 1 384.274 3.208 20 5 GGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(Br)cc1 ZINC000565898756 567109674 /nfs/dbraw/zinc/10/96/74/567109674.db2.gz UPDXYERHLWXLFA-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(Br)cc1 ZINC000565898756 567109679 /nfs/dbraw/zinc/10/96/79/567109679.db2.gz UPDXYERHLWXLFA-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO C[N@@H+]1CC=C(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000546887935 567167992 /nfs/dbraw/zinc/16/79/92/567167992.db2.gz MGQJMHMKCSFYAJ-UHFFFAOYSA-N 1 1 377.242 3.001 20 5 GGBDMO CC(C)(C)C[N@@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589253952 567169850 /nfs/dbraw/zinc/16/98/50/567169850.db2.gz OYNHAOPBXXGJFA-UHFFFAOYSA-N 1 1 392.237 3.040 20 5 GGBDMO Cn1cccc1C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589255213 567170166 /nfs/dbraw/zinc/17/01/66/567170166.db2.gz PIQJNRFMDZYYBI-UHFFFAOYSA-N 1 1 385.205 3.170 20 5 GGBDMO Cn1cccc1C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589255213 567170171 /nfs/dbraw/zinc/17/01/71/567170171.db2.gz PIQJNRFMDZYYBI-UHFFFAOYSA-N 1 1 385.205 3.170 20 5 GGBDMO C[N@@H+](CCOC(C)(C)C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589255587 567170202 /nfs/dbraw/zinc/17/02/02/567170202.db2.gz UDDJAXJKISFWGA-UHFFFAOYSA-N 1 1 392.237 3.446 20 5 GGBDMO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000589258462 567170321 /nfs/dbraw/zinc/17/03/21/567170321.db2.gz CMTLETAASUUQNU-JTQLQIEISA-N 1 1 383.189 3.445 20 5 GGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498550681 567185960 /nfs/dbraw/zinc/18/59/60/567185960.db2.gz QSUOGXCFBJJIRI-GHMZBOCLSA-N 1 1 384.274 3.220 20 5 GGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498550687 567186308 /nfs/dbraw/zinc/18/63/08/567186308.db2.gz QSUOGXCFBJJIRI-QWRGUYRKSA-N 1 1 384.274 3.220 20 5 GGBDMO C[N@H+](CCSc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)Cc1ccccc1 ZINC000432916016 567203961 /nfs/dbraw/zinc/20/39/61/567203961.db2.gz GQHCKZRNEKMFBK-UHFFFAOYSA-N 1 1 380.491 3.222 20 5 GGBDMO C[N@@H+](CCSc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)Cc1ccccc1 ZINC000432916016 567203966 /nfs/dbraw/zinc/20/39/66/567203966.db2.gz GQHCKZRNEKMFBK-UHFFFAOYSA-N 1 1 380.491 3.222 20 5 GGBDMO C[N@H+](CCSc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000432924575 567204593 /nfs/dbraw/zinc/20/45/93/567204593.db2.gz MSURJRDTHHMFTC-UHFFFAOYSA-N 1 1 380.491 3.222 20 5 GGBDMO C[N@@H+](CCSc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000432924575 567204601 /nfs/dbraw/zinc/20/46/01/567204601.db2.gz MSURJRDTHHMFTC-UHFFFAOYSA-N 1 1 380.491 3.222 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000567283988 567233660 /nfs/dbraw/zinc/23/36/60/567233660.db2.gz BNCANFXCNJFVIZ-UHFFFAOYSA-N 1 1 394.396 3.239 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)n1 ZINC000433320748 567242530 /nfs/dbraw/zinc/24/25/30/567242530.db2.gz SWNBEZRSCUELPG-AWEZNQCLSA-N 1 1 379.258 3.118 20 5 GGBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000567795713 567279186 /nfs/dbraw/zinc/27/91/86/567279186.db2.gz KASYVMZZQXUVTF-AWEZNQCLSA-N 1 1 390.221 3.200 20 5 GGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000434437150 567308759 /nfs/dbraw/zinc/30/87/59/567308759.db2.gz NAEKFQRRNVSZLY-ZDUSSCGKSA-N 1 1 382.258 3.104 20 5 GGBDMO CCCCC[N@@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568449888 567330596 /nfs/dbraw/zinc/33/05/96/567330596.db2.gz XIJOQANKAZIPHN-UHFFFAOYSA-N 1 1 392.237 3.184 20 5 GGBDMO Cc1c(NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435331216 567355977 /nfs/dbraw/zinc/35/59/77/567355977.db2.gz ZHCIPKHCNXLRQR-OAHLLOKOSA-N 1 1 399.289 3.470 20 5 GGBDMO Cc1c(NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435331215 567356077 /nfs/dbraw/zinc/35/60/77/567356077.db2.gz ZHCIPKHCNXLRQR-HNNXBMFYSA-N 1 1 399.289 3.470 20 5 GGBDMO Cc1c(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435326243 567356452 /nfs/dbraw/zinc/35/64/52/567356452.db2.gz CEHFQVFDMCUOCO-CMPLNLGQSA-N 1 1 385.262 3.270 20 5 GGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000548926835 567362006 /nfs/dbraw/zinc/36/20/06/567362006.db2.gz CXSALABQYOGSFR-INIZCTEOSA-N 1 1 392.253 3.058 20 5 GGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000548926835 567362011 /nfs/dbraw/zinc/36/20/11/567362011.db2.gz CXSALABQYOGSFR-INIZCTEOSA-N 1 1 392.253 3.058 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000569128213 567380927 /nfs/dbraw/zinc/38/09/27/567380927.db2.gz HNJQHQPHMTZCJY-UHFFFAOYSA-N 1 1 379.214 3.379 20 5 GGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1cccc(Br)c1 ZINC000501420059 567387277 /nfs/dbraw/zinc/38/72/77/567387277.db2.gz PNTHARYLLNFRSS-KRWDZBQOSA-N 1 1 395.253 3.402 20 5 GGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](CO)c1cccc(Br)c1 ZINC000501420060 567387537 /nfs/dbraw/zinc/38/75/37/567387537.db2.gz PNTHARYLLNFRSS-QGZVFWFLSA-N 1 1 395.253 3.402 20 5 GGBDMO NC(=O)c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 ZINC000477464072 567396514 /nfs/dbraw/zinc/39/65/14/567396514.db2.gz LVBFAERIADUNGM-UHFFFAOYSA-N 1 1 390.237 3.235 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000550220225 567436048 /nfs/dbraw/zinc/43/60/48/567436048.db2.gz FIHFLIJRLAWDGS-NSHDSACASA-N 1 1 384.274 3.127 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@H+](Cc2cc(Br)ccc2F)C2CC2)n1 ZINC000478436342 567456171 /nfs/dbraw/zinc/45/61/71/567456171.db2.gz WUQJXIUIHLLFQH-UHFFFAOYSA-N 1 1 383.221 3.358 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2cc(Br)ccc2F)C2CC2)n1 ZINC000478436342 567456179 /nfs/dbraw/zinc/45/61/79/567456179.db2.gz WUQJXIUIHLLFQH-UHFFFAOYSA-N 1 1 383.221 3.358 20 5 GGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594196072 567465414 /nfs/dbraw/zinc/46/54/14/567465414.db2.gz KPGRPXRUPKUQDF-KGLIPLIRSA-N 1 1 382.258 3.104 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594199438 567465539 /nfs/dbraw/zinc/46/55/39/567465539.db2.gz ZKSKLDRTZMLXRT-HOTGVXAUSA-N 1 1 396.285 3.033 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458220250 567532904 /nfs/dbraw/zinc/53/29/04/567532904.db2.gz OWEQIJFGCLZAJP-GFCCVEGCSA-N 1 1 384.274 3.127 20 5 GGBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000573116820 567689535 /nfs/dbraw/zinc/68/95/35/567689535.db2.gz CMEFVWYNNJBJAS-CYBMUJFWSA-N 1 1 389.283 3.256 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481732880 567699635 /nfs/dbraw/zinc/69/96/35/567699635.db2.gz DXHNLKRAWJWZHH-CQSZACIVSA-N 1 1 383.221 3.471 20 5 GGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000574209023 567763685 /nfs/dbraw/zinc/76/36/85/567763685.db2.gz PTIOWLAHVSEWEC-GFCCVEGCSA-N 1 1 386.290 3.136 20 5 GGBDMO Cc1c(Br)cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000533576529 567777107 /nfs/dbraw/zinc/77/71/07/567777107.db2.gz GAVPVAVACPBHOC-GFCCVEGCSA-N 1 1 384.274 3.126 20 5 GGBDMO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000599071141 567804626 /nfs/dbraw/zinc/80/46/26/567804626.db2.gz QYAPQMYXVLQYDJ-NEPJUHHUSA-N 1 1 384.274 3.208 20 5 GGBDMO COc1ccc(OC2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000048273879 570226251 /nfs/dbraw/zinc/22/62/51/570226251.db2.gz ZVJIXOJESCCQBB-UHFFFAOYSA-N 1 1 382.420 3.454 20 5 GGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000048287878 570228110 /nfs/dbraw/zinc/22/81/10/570228110.db2.gz ZUULCQXJNUKYGL-CYBMUJFWSA-N 1 1 394.387 3.481 20 5 GGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000048287878 570228113 /nfs/dbraw/zinc/22/81/13/570228113.db2.gz ZUULCQXJNUKYGL-CYBMUJFWSA-N 1 1 394.387 3.481 20 5 GGBDMO CCc1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000007979769 570596625 /nfs/dbraw/zinc/59/66/25/570596625.db2.gz SAMZVMWJWJPUIH-LJQANCHMSA-N 1 1 391.493 3.276 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)cc1 ZINC000170601980 570860283 /nfs/dbraw/zinc/86/02/83/570860283.db2.gz CHFAYHBHRUXNDY-UHFFFAOYSA-N 1 1 382.464 3.284 20 5 GGBDMO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820120290 606317235 /nfs/dbraw/zinc/31/72/35/606317235.db2.gz ANDRSDNDPPSNKY-UHFFFAOYSA-N 1 1 393.407 3.327 20 5 GGBDMO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820120290 606317237 /nfs/dbraw/zinc/31/72/37/606317237.db2.gz ANDRSDNDPPSNKY-UHFFFAOYSA-N 1 1 393.407 3.327 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820761581 606470744 /nfs/dbraw/zinc/47/07/44/606470744.db2.gz XZMWROBTNWSFRN-PBHICJAKSA-N 1 1 393.451 3.097 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000820703238 606877635 /nfs/dbraw/zinc/87/76/35/606877635.db2.gz DGNZGUWDCOSFPX-HNNXBMFYSA-N 1 1 399.499 3.256 20 5 GGBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@H]1c1ccc(Cl)cc1 ZINC000826029584 608018810 /nfs/dbraw/zinc/01/88/10/608018810.db2.gz UMILIOIGDGJIPR-DLBZAZTESA-N 1 1 399.842 3.286 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052954616 1406240422 /nfs/dbraw/zinc/24/04/22/1406240422.db2.gz BWUYRSDVCAURTI-RDJZCZTQSA-N 1 1 397.479 3.377 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccc(OC)cc1 ZINC000053087325 1406287491 /nfs/dbraw/zinc/28/74/91/1406287491.db2.gz JHTMXSLULCOSMF-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000053417330 1406388926 /nfs/dbraw/zinc/38/89/26/1406388926.db2.gz AAEHDMCBHBXAGT-CALCHBBNSA-N 1 1 376.501 3.271 20 5 GGBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)COc3cc(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC000053542963 1406435682 /nfs/dbraw/zinc/43/56/82/1406435682.db2.gz KDDFNPAWBYYINV-UHFFFAOYSA-N 1 1 397.475 3.325 20 5 GGBDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000053580416 1406450716 /nfs/dbraw/zinc/45/07/16/1406450716.db2.gz MSHROUPOGGDULS-HOCLYGCPSA-N 1 1 389.477 3.246 20 5 GGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000053580416 1406450723 /nfs/dbraw/zinc/45/07/23/1406450723.db2.gz MSHROUPOGGDULS-HOCLYGCPSA-N 1 1 389.477 3.246 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000053686291 1406479458 /nfs/dbraw/zinc/47/94/58/1406479458.db2.gz MXDCMBSFCHYWGL-RDJZCZTQSA-N 1 1 389.477 3.017 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000053686291 1406479464 /nfs/dbraw/zinc/47/94/64/1406479464.db2.gz MXDCMBSFCHYWGL-RDJZCZTQSA-N 1 1 389.477 3.017 20 5 GGBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000053686359 1406479568 /nfs/dbraw/zinc/47/95/68/1406479568.db2.gz QOVMJPDZLMCGSO-RDJZCZTQSA-N 1 1 389.477 3.017 20 5 GGBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000053686359 1406479573 /nfs/dbraw/zinc/47/95/73/1406479573.db2.gz QOVMJPDZLMCGSO-RDJZCZTQSA-N 1 1 389.477 3.017 20 5 GGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000053846413 1406533751 /nfs/dbraw/zinc/53/37/51/1406533751.db2.gz DUEMEGDRDLMSJA-CQSZACIVSA-N 1 1 399.451 3.040 20 5 GGBDMO Cc1ccccc1C[NH+]1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000053968282 1406574043 /nfs/dbraw/zinc/57/40/43/1406574043.db2.gz DNHADOFYCPKCSL-UHFFFAOYSA-N 1 1 393.447 3.174 20 5 GGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000054223732 1406658199 /nfs/dbraw/zinc/65/81/99/1406658199.db2.gz BTNAZULRJVLFED-HIFRSBDPSA-N 1 1 379.420 3.036 20 5 GGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000054224040 1406658350 /nfs/dbraw/zinc/65/83/50/1406658350.db2.gz DQVTZVVKFJRJKS-AEFFLSMTSA-N 1 1 382.464 3.349 20 5 GGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000054286995 1406681558 /nfs/dbraw/zinc/68/15/58/1406681558.db2.gz MSIKBOVLIARODN-INIZCTEOSA-N 1 1 388.512 3.435 20 5 GGBDMO O=C(NC1CC1)c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000054359411 1406700622 /nfs/dbraw/zinc/70/06/22/1406700622.db2.gz NSZKZXTYVVRPQD-GOSISDBHSA-N 1 1 380.448 3.173 20 5 GGBDMO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000054359408 1406700660 /nfs/dbraw/zinc/70/06/60/1406700660.db2.gz WVOKEQJBXAILNO-GOSISDBHSA-N 1 1 382.464 3.419 20 5 GGBDMO CC(=O)Nc1cccc2c1CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000054389917 1406714378 /nfs/dbraw/zinc/71/43/78/1406714378.db2.gz WGHVKJCZYQMCIM-UHFFFAOYSA-N 1 1 396.447 3.249 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054647591 1406796069 /nfs/dbraw/zinc/79/60/69/1406796069.db2.gz NRPCRRMEIKPLLR-UHFFFAOYSA-N 1 1 384.480 3.477 20 5 GGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054647700 1406796430 /nfs/dbraw/zinc/79/64/30/1406796430.db2.gz BFBUXCNJGPQHNH-UHFFFAOYSA-N 1 1 396.491 3.363 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000054676497 1406802678 /nfs/dbraw/zinc/80/26/78/1406802678.db2.gz HALNHPZBCDCJCW-LLVKDONJSA-N 1 1 398.366 3.276 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000054676497 1406802683 /nfs/dbraw/zinc/80/26/83/1406802683.db2.gz HALNHPZBCDCJCW-LLVKDONJSA-N 1 1 398.366 3.276 20 5 GGBDMO Cc1noc(C2CC[NH+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000054678420 1406804432 /nfs/dbraw/zinc/80/44/32/1406804432.db2.gz JIVLEMAFXFKSGD-NSHDSACASA-N 1 1 384.396 3.277 20 5 GGBDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000054776361 1406822823 /nfs/dbraw/zinc/82/28/23/1406822823.db2.gz SVQSSZOMDBGWAC-UHFFFAOYSA-N 1 1 386.427 3.124 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000055152361 1406894424 /nfs/dbraw/zinc/89/44/24/1406894424.db2.gz KANYXQLRHRLYKZ-NEPJUHHUSA-N 1 1 391.399 3.429 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000055152662 1406895122 /nfs/dbraw/zinc/89/51/22/1406895122.db2.gz VAJCBVGMALAFPW-NWDGAFQWSA-N 1 1 391.399 3.429 20 5 GGBDMO CC(C)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000055260045 1406915623 /nfs/dbraw/zinc/91/56/23/1406915623.db2.gz GXZWLBPFTIZDHL-UHFFFAOYSA-N 1 1 397.475 3.317 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000055402643 1406949514 /nfs/dbraw/zinc/94/95/14/1406949514.db2.gz FDQKGKNSCUYMLR-DLBZAZTESA-N 1 1 388.512 3.048 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055404708 1406950042 /nfs/dbraw/zinc/95/00/42/1406950042.db2.gz SJLLPGBNVQMVMG-QZTJIDSGSA-N 1 1 391.515 3.391 20 5 GGBDMO CSc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000008488440 1398834509 /nfs/dbraw/zinc/83/45/09/1398834509.db2.gz LHDXEINGTMVJKT-OAHLLOKOSA-N 1 1 375.450 3.477 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000008571045 1398840516 /nfs/dbraw/zinc/84/05/16/1398840516.db2.gz JNPYVXXZHAKPTD-UHFFFAOYSA-N 1 1 384.436 3.262 20 5 GGBDMO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(OC)c(OC)c1 ZINC000011366183 1398973553 /nfs/dbraw/zinc/97/35/53/1398973553.db2.gz HKWDJEYDDHIAJJ-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(OC)c(OC)c1 ZINC000011366183 1398973559 /nfs/dbraw/zinc/97/35/59/1398973559.db2.gz HKWDJEYDDHIAJJ-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000012284437 1399036841 /nfs/dbraw/zinc/03/68/41/1399036841.db2.gz OPVVJUJIYHTTFI-HNNXBMFYSA-N 1 1 397.431 3.312 20 5 GGBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014815032 1399122161 /nfs/dbraw/zinc/12/21/61/1399122161.db2.gz OHUKXYFWDWRQJD-UHFFFAOYSA-N 1 1 390.443 3.030 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCOc1ccccc1F ZINC000015046893 1399134920 /nfs/dbraw/zinc/13/49/20/1399134920.db2.gz XZWQUODFKYDUSU-ZDUSSCGKSA-N 1 1 391.399 3.080 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCOc1ccccc1F ZINC000015046893 1399134926 /nfs/dbraw/zinc/13/49/26/1399134926.db2.gz XZWQUODFKYDUSU-ZDUSSCGKSA-N 1 1 391.399 3.080 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCOc1ccccc1C ZINC000015099914 1399139621 /nfs/dbraw/zinc/13/96/21/1399139621.db2.gz OAEOUBVEXZTEDJ-HNNXBMFYSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCOc1ccccc1C ZINC000015099914 1399139629 /nfs/dbraw/zinc/13/96/29/1399139629.db2.gz OAEOUBVEXZTEDJ-HNNXBMFYSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000015099798 1399139705 /nfs/dbraw/zinc/13/97/05/1399139705.db2.gz MTHOEVCKMZYGSW-OAHLLOKOSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000015099798 1399139715 /nfs/dbraw/zinc/13/97/15/1399139715.db2.gz MTHOEVCKMZYGSW-OAHLLOKOSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000015690643 1399184782 /nfs/dbraw/zinc/18/47/82/1399184782.db2.gz VYGKCGRUCLMDHI-KRWDZBQOSA-N 1 1 389.477 3.115 20 5 GGBDMO CCN1C[C@H](C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)Oc2ccccc21 ZINC000016423355 1399240639 /nfs/dbraw/zinc/24/06/39/1399240639.db2.gz TXDSNNSNIRHMSA-SFHVURJKSA-N 1 1 399.447 3.181 20 5 GGBDMO CCN1C[C@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)Oc2ccccc21 ZINC000016423355 1399240647 /nfs/dbraw/zinc/24/06/47/1399240647.db2.gz TXDSNNSNIRHMSA-SFHVURJKSA-N 1 1 399.447 3.181 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC000021468900 1399383381 /nfs/dbraw/zinc/38/33/81/1399383381.db2.gz GDOPLQFLEDRWPN-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC000021468900 1399383385 /nfs/dbraw/zinc/38/33/85/1399383385.db2.gz GDOPLQFLEDRWPN-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000024621863 1399649354 /nfs/dbraw/zinc/64/93/54/1399649354.db2.gz VWIREFVWWYFYJS-KRWDZBQOSA-N 1 1 399.516 3.462 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000025071089 1399734072 /nfs/dbraw/zinc/73/40/72/1399734072.db2.gz JXWXNNKDZGSYGY-UHFFFAOYSA-N 1 1 379.363 3.342 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1F ZINC000025071079 1399734509 /nfs/dbraw/zinc/73/45/09/1399734509.db2.gz IRPQCYPWWUITOC-UHFFFAOYSA-N 1 1 379.363 3.342 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1F ZINC000025071272 1399734639 /nfs/dbraw/zinc/73/46/39/1399734639.db2.gz LDVNWUWHVATPBQ-UHFFFAOYSA-N 1 1 379.363 3.342 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)N2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000025420354 1399807195 /nfs/dbraw/zinc/80/71/95/1399807195.db2.gz CGZZFVOEPZDDRY-KRWDZBQOSA-N 1 1 382.464 3.048 20 5 GGBDMO CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000025460693 1399811031 /nfs/dbraw/zinc/81/10/31/1399811031.db2.gz PLJWOILMIXKFFD-UHFFFAOYSA-N 1 1 398.419 3.070 20 5 GGBDMO O=C(NC1CC1)c1ccc(NCCC[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000025497641 1399813594 /nfs/dbraw/zinc/81/35/94/1399813594.db2.gz KLSCPBMXQAAVLQ-UHFFFAOYSA-N 1 1 394.475 3.347 20 5 GGBDMO CSc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025630361 1399824316 /nfs/dbraw/zinc/82/43/16/1399824316.db2.gz GPEDIUAGVLFODP-AWEZNQCLSA-N 1 1 385.489 3.493 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000026158279 1399864997 /nfs/dbraw/zinc/86/49/97/1399864997.db2.gz DTPWYYQPSPXKRN-UHFFFAOYSA-N 1 1 382.464 3.050 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000026160617 1399865179 /nfs/dbraw/zinc/86/51/79/1399865179.db2.gz DKFAJASJNKAHDJ-UHFFFAOYSA-N 1 1 386.427 3.193 20 5 GGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000026225020 1399871047 /nfs/dbraw/zinc/87/10/47/1399871047.db2.gz GVOZBBWGZOKULK-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO CCOc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000026223109 1399871188 /nfs/dbraw/zinc/87/11/88/1399871188.db2.gz KWIZNWXZKBAQBA-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+](C)CCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000026336808 1399879031 /nfs/dbraw/zinc/87/90/31/1399879031.db2.gz WOPBCFILLQRSJL-UHFFFAOYSA-N 1 1 375.400 3.382 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCOc1ccccc1C ZINC000026337187 1399879637 /nfs/dbraw/zinc/87/96/37/1399879637.db2.gz JBSSFWIVYIDZAS-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000026337190 1399879776 /nfs/dbraw/zinc/87/97/76/1399879776.db2.gz MRKVWTUCYYDTQB-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO O=C(CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000026340954 1399879989 /nfs/dbraw/zinc/87/99/89/1399879989.db2.gz ZHCXTZOQAJCAKW-MRXNPFEDSA-N 1 1 396.447 3.274 20 5 GGBDMO O=C(CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000026340957 1399880082 /nfs/dbraw/zinc/88/00/82/1399880082.db2.gz ZHCXTZOQAJCAKW-INIZCTEOSA-N 1 1 396.447 3.274 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(CCc2ccccc2)CC1 ZINC000026341193 1399880134 /nfs/dbraw/zinc/88/01/34/1399880134.db2.gz OWVZIFUIIFAFAO-UHFFFAOYSA-N 1 1 396.491 3.092 20 5 GGBDMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000026356480 1399882229 /nfs/dbraw/zinc/88/22/29/1399882229.db2.gz NZUAWXRBCJIYOR-UHFFFAOYSA-N 1 1 398.419 3.160 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000026715717 1399924695 /nfs/dbraw/zinc/92/46/95/1399924695.db2.gz HTMJYGLXPIAMCT-AEFFLSMTSA-N 1 1 392.477 3.077 20 5 GGBDMO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000026924614 1399952378 /nfs/dbraw/zinc/95/23/78/1399952378.db2.gz LBAPWWJKHQIXMM-INIZCTEOSA-N 1 1 383.404 3.408 20 5 GGBDMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000026924614 1399952388 /nfs/dbraw/zinc/95/23/88/1399952388.db2.gz LBAPWWJKHQIXMM-INIZCTEOSA-N 1 1 383.404 3.408 20 5 GGBDMO CCOc1cc(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000055749254 1407073472 /nfs/dbraw/zinc/07/34/72/1407073472.db2.gz NURSXKZDENDAQE-ZNMIVQPWSA-N 1 1 393.484 3.098 20 5 GGBDMO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+]2CCCC2)c1 ZINC000027341013 1400021522 /nfs/dbraw/zinc/02/15/22/1400021522.db2.gz HFLIZOSAOFKLJJ-HNNXBMFYSA-N 1 1 375.450 3.232 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000027346520 1400022745 /nfs/dbraw/zinc/02/27/45/1400022745.db2.gz KBQWSTYPIQXXIF-MRXNPFEDSA-N 1 1 377.828 3.046 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000027346248 1400022903 /nfs/dbraw/zinc/02/29/03/1400022903.db2.gz OTZBADMINGJWBE-KRWDZBQOSA-N 1 1 377.828 3.046 20 5 GGBDMO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027352545 1400023866 /nfs/dbraw/zinc/02/38/66/1400023866.db2.gz RLFYBFYYYGFGSI-UHFFFAOYSA-N 1 1 389.839 3.148 20 5 GGBDMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027352545 1400023876 /nfs/dbraw/zinc/02/38/76/1400023876.db2.gz RLFYBFYYYGFGSI-UHFFFAOYSA-N 1 1 389.839 3.148 20 5 GGBDMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027357093 1400025141 /nfs/dbraw/zinc/02/51/41/1400025141.db2.gz YTDBURNBGJRLOL-IBGZPJMESA-N 1 1 381.432 3.330 20 5 GGBDMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027357093 1400025149 /nfs/dbraw/zinc/02/51/49/1400025149.db2.gz YTDBURNBGJRLOL-IBGZPJMESA-N 1 1 381.432 3.330 20 5 GGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570608 1400058795 /nfs/dbraw/zinc/05/87/95/1400058795.db2.gz JUQOEXJLFVUCLU-HZPDHXFCSA-N 1 1 396.447 3.273 20 5 GGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570608 1400058806 /nfs/dbraw/zinc/05/88/06/1400058806.db2.gz JUQOEXJLFVUCLU-HZPDHXFCSA-N 1 1 396.447 3.273 20 5 GGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570612 1400058903 /nfs/dbraw/zinc/05/89/03/1400058903.db2.gz JUQOEXJLFVUCLU-JKSUJKDBSA-N 1 1 396.447 3.273 20 5 GGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570612 1400058911 /nfs/dbraw/zinc/05/89/11/1400058911.db2.gz JUQOEXJLFVUCLU-JKSUJKDBSA-N 1 1 396.447 3.273 20 5 GGBDMO C[N@H+](CCOc1ccccc1Cl)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027691379 1400077113 /nfs/dbraw/zinc/07/71/13/1400077113.db2.gz KYXVZKCJIXSBPV-UHFFFAOYSA-N 1 1 389.839 3.148 20 5 GGBDMO C[N@@H+](CCOc1ccccc1Cl)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027691379 1400077125 /nfs/dbraw/zinc/07/71/25/1400077125.db2.gz KYXVZKCJIXSBPV-UHFFFAOYSA-N 1 1 389.839 3.148 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000027698521 1400078814 /nfs/dbraw/zinc/07/88/14/1400078814.db2.gz SQQKBDUJZBKQOL-CQSZACIVSA-N 1 1 375.400 3.380 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000027698521 1400078825 /nfs/dbraw/zinc/07/88/25/1400078825.db2.gz SQQKBDUJZBKQOL-CQSZACIVSA-N 1 1 375.400 3.380 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC[N@H+](C)C2CCCCC2)c1C ZINC000028049847 1400123973 /nfs/dbraw/zinc/12/39/73/1400123973.db2.gz CWUZRKQZSGMGDU-UHFFFAOYSA-N 1 1 383.514 3.145 20 5 GGBDMO CC(C)NC(=O)c1ccc(N2CC[NH+](Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000028743157 1400191007 /nfs/dbraw/zinc/19/10/07/1400191007.db2.gz MZJMWPVMIGETMJ-UHFFFAOYSA-N 1 1 388.493 3.117 20 5 GGBDMO CN(C(=O)C[N@H+](C)CCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000028960402 1400216797 /nfs/dbraw/zinc/21/67/97/1400216797.db2.gz MJMHCIUYJSGRSC-UHFFFAOYSA-N 1 1 377.828 3.222 20 5 GGBDMO CN(C(=O)C[N@@H+](C)CCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000028960402 1400216798 /nfs/dbraw/zinc/21/67/98/1400216798.db2.gz MJMHCIUYJSGRSC-UHFFFAOYSA-N 1 1 377.828 3.222 20 5 GGBDMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000028974505 1400219317 /nfs/dbraw/zinc/21/93/17/1400219317.db2.gz IMCVNNHPZDVBJW-SFHVURJKSA-N 1 1 397.431 3.166 20 5 GGBDMO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000028974505 1400219320 /nfs/dbraw/zinc/21/93/20/1400219320.db2.gz IMCVNNHPZDVBJW-SFHVURJKSA-N 1 1 397.431 3.166 20 5 GGBDMO CC(C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000029174713 1400253950 /nfs/dbraw/zinc/25/39/50/1400253950.db2.gz FSGTVRBZBXUPRS-OAQYLSRUSA-N 1 1 397.475 3.173 20 5 GGBDMO COc1ccc(C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000029502631 1400306762 /nfs/dbraw/zinc/30/67/62/1400306762.db2.gz BLMDLOMYXXBRIO-UHFFFAOYSA-N 1 1 379.420 3.484 20 5 GGBDMO COc1ccc(C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000029502631 1400306768 /nfs/dbraw/zinc/30/67/68/1400306768.db2.gz BLMDLOMYXXBRIO-UHFFFAOYSA-N 1 1 379.420 3.484 20 5 GGBDMO CSc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000029690970 1400336899 /nfs/dbraw/zinc/33/68/99/1400336899.db2.gz LGLSPKDQOMWDCC-UHFFFAOYSA-N 1 1 393.509 3.082 20 5 GGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])c1 ZINC000029827800 1400358791 /nfs/dbraw/zinc/35/87/91/1400358791.db2.gz CMVQYBMKUXPSDM-OAHLLOKOSA-N 1 1 380.404 3.215 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029828974 1400359431 /nfs/dbraw/zinc/35/94/31/1400359431.db2.gz LVHFVFGOIXTRID-WBVHZDCISA-N 1 1 397.431 3.355 20 5 GGBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(Cl)c1 ZINC000029863335 1400367948 /nfs/dbraw/zinc/36/79/48/1400367948.db2.gz KRAFAWYQGYCKFT-UHFFFAOYSA-N 1 1 390.827 3.147 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(Cl)c1 ZINC000029863335 1400367954 /nfs/dbraw/zinc/36/79/54/1400367954.db2.gz KRAFAWYQGYCKFT-UHFFFAOYSA-N 1 1 390.827 3.147 20 5 GGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)cn1 ZINC000056283866 1407279278 /nfs/dbraw/zinc/27/92/78/1407279278.db2.gz IQCDFBFUOFYWBB-UHFFFAOYSA-N 1 1 396.369 3.253 20 5 GGBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000056292868 1407283438 /nfs/dbraw/zinc/28/34/38/1407283438.db2.gz POPIPMXDTXSEHC-UHFFFAOYSA-N 1 1 378.432 3.077 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000056362123 1407310284 /nfs/dbraw/zinc/31/02/84/1407310284.db2.gz FSMDRBSFBRJXNO-QLFBSQMISA-N 1 1 393.484 3.098 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000056362122 1407310652 /nfs/dbraw/zinc/31/06/52/1407310652.db2.gz FSMDRBSFBRJXNO-ZNMIVQPWSA-N 1 1 393.484 3.098 20 5 GGBDMO C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056394259 1407319219 /nfs/dbraw/zinc/31/92/19/1407319219.db2.gz IXPMOYJUBFLYCX-UONOGXRCSA-N 1 1 388.493 3.463 20 5 GGBDMO C[C@@H](NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056394259 1407319225 /nfs/dbraw/zinc/31/92/25/1407319225.db2.gz IXPMOYJUBFLYCX-UONOGXRCSA-N 1 1 388.493 3.463 20 5 GGBDMO CC(C)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000043342387 1403750812 /nfs/dbraw/zinc/75/08/12/1403750812.db2.gz YDTXYKIADCCCNL-CQSZACIVSA-N 1 1 384.864 3.117 20 5 GGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000043544735 1403782472 /nfs/dbraw/zinc/78/24/72/1403782472.db2.gz DSOTVSAAOAIPPO-SFHVURJKSA-N 1 1 394.475 3.199 20 5 GGBDMO C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000043644406 1403795874 /nfs/dbraw/zinc/79/58/74/1403795874.db2.gz QOHXWKZMSHOWPK-OAHLLOKOSA-N 1 1 384.354 3.485 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000043893065 1403841686 /nfs/dbraw/zinc/84/16/86/1403841686.db2.gz PBBHFICMILMRCY-UHFFFAOYSA-N 1 1 399.495 3.346 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438861 1403933777 /nfs/dbraw/zinc/93/37/77/1403933777.db2.gz AEBQOIVTHMMHBU-UHFFFAOYSA-N 1 1 379.363 3.342 20 5 GGBDMO Cc1cccc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000044637992 1403970896 /nfs/dbraw/zinc/97/08/96/1403970896.db2.gz XKXGTRSAMYQTOW-IAGOWNOFSA-N 1 1 397.475 3.442 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(Cc2cccs2)CC1 ZINC000045799615 1404207567 /nfs/dbraw/zinc/20/75/67/1404207567.db2.gz XGWRHMHUZHHQJX-UHFFFAOYSA-N 1 1 388.493 3.111 20 5 GGBDMO Cc1ccccc1CN1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000045799585 1404207606 /nfs/dbraw/zinc/20/76/06/1404207606.db2.gz KEFLXXHYAXWBNM-UHFFFAOYSA-N 1 1 382.464 3.050 20 5 GGBDMO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000046243766 1404342528 /nfs/dbraw/zinc/34/25/28/1404342528.db2.gz KPACVCCUDPHHOD-AWEZNQCLSA-N 1 1 388.493 3.021 20 5 GGBDMO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000046243766 1404342539 /nfs/dbraw/zinc/34/25/39/1404342539.db2.gz KPACVCCUDPHHOD-AWEZNQCLSA-N 1 1 388.493 3.021 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000046576071 1404490168 /nfs/dbraw/zinc/49/01/68/1404490168.db2.gz FOFVYPTWTZTNSH-QGZVFWFLSA-N 1 1 397.475 3.235 20 5 GGBDMO COc1ccc(CSCC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000046593680 1404496787 /nfs/dbraw/zinc/49/67/87/1404496787.db2.gz XELRVPIULGBMMG-GJZGRUSLSA-N 1 1 395.525 3.216 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000046624196 1404517490 /nfs/dbraw/zinc/51/74/90/1404517490.db2.gz CYCXDITXUQVFSZ-IYBDPMFKSA-N 1 1 383.448 3.134 20 5 GGBDMO CCOc1cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000046989544 1404663883 /nfs/dbraw/zinc/66/38/83/1404663883.db2.gz KFKGQVQKWGSYHE-HNNXBMFYSA-N 1 1 393.484 3.387 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000046991583 1404665639 /nfs/dbraw/zinc/66/56/39/1404665639.db2.gz GGOKRXBCDXOFQZ-HNNXBMFYSA-N 1 1 393.484 3.244 20 5 GGBDMO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000047004071 1404670887 /nfs/dbraw/zinc/67/08/87/1404670887.db2.gz DHXQUPRGYFPWAL-INIZCTEOSA-N 1 1 382.464 3.183 20 5 GGBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047227849 1404757105 /nfs/dbraw/zinc/75/71/05/1404757105.db2.gz USPMDZAVKYHLPO-UHFFFAOYSA-N 1 1 389.839 3.010 20 5 GGBDMO Cc1ccc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000047323214 1404805692 /nfs/dbraw/zinc/80/56/92/1404805692.db2.gz NGDRYVWOLNCXMG-UHFFFAOYSA-N 1 1 384.436 3.057 20 5 GGBDMO Cc1c(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000047345877 1404812231 /nfs/dbraw/zinc/81/22/31/1404812231.db2.gz XQMZMUSHPKBCAG-UHFFFAOYSA-N 1 1 384.436 3.057 20 5 GGBDMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000047715476 1404900763 /nfs/dbraw/zinc/90/07/63/1404900763.db2.gz VBDKYFDFUGWOMC-UHFFFAOYSA-N 1 1 375.375 3.267 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1Cl ZINC000048297995 1405131911 /nfs/dbraw/zinc/13/19/11/1405131911.db2.gz LJDHJQYNWYRLAF-OAHLLOKOSA-N 1 1 380.807 3.002 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1Cl ZINC000048297993 1405132531 /nfs/dbraw/zinc/13/25/31/1405132531.db2.gz LJDHJQYNWYRLAF-HNNXBMFYSA-N 1 1 380.807 3.002 20 5 GGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000048314026 1405141378 /nfs/dbraw/zinc/14/13/78/1405141378.db2.gz UYISITNSQFKVJT-UHFFFAOYSA-N 1 1 378.432 3.343 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000048359961 1405161496 /nfs/dbraw/zinc/16/14/96/1405161496.db2.gz BGRMTHAVUTUZRT-IYBDPMFKSA-N 1 1 383.448 3.134 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000048359961 1405161510 /nfs/dbraw/zinc/16/15/10/1405161510.db2.gz BGRMTHAVUTUZRT-IYBDPMFKSA-N 1 1 383.448 3.134 20 5 GGBDMO CC(C)[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+]1CCOCC1 ZINC000049636142 1405388937 /nfs/dbraw/zinc/38/89/37/1405388937.db2.gz AATUUOVKWINSQU-NRFANRHFSA-N 1 1 377.488 3.475 20 5 GGBDMO COc1ccc(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)cc1[N+](=O)[O-] ZINC000051098228 1405724258 /nfs/dbraw/zinc/72/42/58/1405724258.db2.gz JUMHAUUDAWNGLN-UHFFFAOYSA-N 1 1 389.477 3.368 20 5 GGBDMO Cc1cccc(NC(=O)CN2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000051739224 1405857185 /nfs/dbraw/zinc/85/71/85/1405857185.db2.gz UJJDWVYDMDAUOS-UHFFFAOYSA-N 1 1 396.491 3.010 20 5 GGBDMO Cc1nc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)no1 ZINC000051916760 1405886315 /nfs/dbraw/zinc/88/63/15/1405886315.db2.gz ISPHHMOAUBWWAD-UHFFFAOYSA-N 1 1 399.476 3.333 20 5 GGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000052606345 1406093553 /nfs/dbraw/zinc/09/35/53/1406093553.db2.gz RQAFLLMTUMWYHL-UHFFFAOYSA-N 1 1 378.432 3.343 20 5 GGBDMO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3cccc([N+](=O)[O-])c3C)C2=O)c1 ZINC000176303181 1428231326 /nfs/dbraw/zinc/23/13/26/1428231326.db2.gz OKXHILFOKAZSDR-FQEVSTJZSA-N 1 1 399.447 3.158 20 5 GGBDMO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3cccc([N+](=O)[O-])c3C)C2=O)c1 ZINC000176303181 1428231335 /nfs/dbraw/zinc/23/13/35/1428231335.db2.gz OKXHILFOKAZSDR-FQEVSTJZSA-N 1 1 399.447 3.158 20 5 GGBDMO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3cccc([N+](=O)[O-])c3C)C2=O)c1 ZINC000176303160 1428231459 /nfs/dbraw/zinc/23/14/59/1428231459.db2.gz OKXHILFOKAZSDR-HXUWFJFHSA-N 1 1 399.447 3.158 20 5 GGBDMO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3cccc([N+](=O)[O-])c3C)C2=O)c1 ZINC000176303160 1428231473 /nfs/dbraw/zinc/23/14/73/1428231473.db2.gz OKXHILFOKAZSDR-HXUWFJFHSA-N 1 1 399.447 3.158 20 5 GGBDMO CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000052919947 1406230635 /nfs/dbraw/zinc/23/06/35/1406230635.db2.gz QCKOVLXVTRDGRF-MRXNPFEDSA-N 1 1 399.447 3.394 20 5 GGBDMO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000052919947 1406230649 /nfs/dbraw/zinc/23/06/49/1406230649.db2.gz QCKOVLXVTRDGRF-MRXNPFEDSA-N 1 1 399.447 3.394 20 5 GGBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000056885495 1407464711 /nfs/dbraw/zinc/46/47/11/1407464711.db2.gz FMKLXZCATZNLCA-UHFFFAOYSA-N 1 1 378.432 3.254 20 5 GGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000057005560 1407497991 /nfs/dbraw/zinc/49/79/91/1407497991.db2.gz JENUFONAWYMKIV-UHFFFAOYSA-N 1 1 386.427 3.151 20 5 GGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000057005560 1407497994 /nfs/dbraw/zinc/49/79/94/1407497994.db2.gz JENUFONAWYMKIV-UHFFFAOYSA-N 1 1 386.427 3.151 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000057118061 1407522470 /nfs/dbraw/zinc/52/24/70/1407522470.db2.gz KDMRDEJQMSSZCQ-CYBMUJFWSA-N 1 1 380.408 3.044 20 5 GGBDMO C[C@@H](Nc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057554838 1407648459 /nfs/dbraw/zinc/64/84/59/1407648459.db2.gz ZRJJOYQMYAAXKO-ZBFHGGJFSA-N 1 1 395.463 3.129 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000057642376 1407674764 /nfs/dbraw/zinc/67/47/64/1407674764.db2.gz JQLXOBCBUPUVOQ-OKILXGFUSA-N 1 1 389.477 3.196 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000057642376 1407674777 /nfs/dbraw/zinc/67/47/77/1407674777.db2.gz JQLXOBCBUPUVOQ-OKILXGFUSA-N 1 1 389.477 3.196 20 5 GGBDMO C[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057702346 1407692674 /nfs/dbraw/zinc/69/26/74/1407692674.db2.gz WFYCZIZPABDCRM-CABCVRRESA-N 1 1 397.479 3.375 20 5 GGBDMO Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000057705179 1407693850 /nfs/dbraw/zinc/69/38/50/1407693850.db2.gz VQSUNKIJRACMJG-INIZCTEOSA-N 1 1 395.506 3.080 20 5 GGBDMO Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057825539 1407731073 /nfs/dbraw/zinc/73/10/73/1407731073.db2.gz CKJBHMZVKWHWHS-UHFFFAOYSA-N 1 1 390.447 3.077 20 5 GGBDMO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000057843993 1407735921 /nfs/dbraw/zinc/73/59/21/1407735921.db2.gz KNWAHVPNBRPJNF-UHFFFAOYSA-N 1 1 396.491 3.038 20 5 GGBDMO C[N@H+](Cc1ccccc1)CC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000057843993 1407735931 /nfs/dbraw/zinc/73/59/31/1407735931.db2.gz KNWAHVPNBRPJNF-UHFFFAOYSA-N 1 1 396.491 3.038 20 5 GGBDMO Cc1c(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000057909511 1407753469 /nfs/dbraw/zinc/75/34/69/1407753469.db2.gz IOWVHFGQKLNSIX-UHFFFAOYSA-N 1 1 392.477 3.208 20 5 GGBDMO Cc1c(C[N@@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000057909511 1407753481 /nfs/dbraw/zinc/75/34/81/1407753481.db2.gz IOWVHFGQKLNSIX-UHFFFAOYSA-N 1 1 392.477 3.208 20 5 GGBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000058459089 1407831687 /nfs/dbraw/zinc/83/16/87/1407831687.db2.gz FFIXSUPNOGZWLU-UHFFFAOYSA-N 1 1 389.839 3.010 20 5 GGBDMO O=C(CC1CCCC1)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000058578762 1407847549 /nfs/dbraw/zinc/84/75/49/1407847549.db2.gz JJTURHGWWPRXNS-UHFFFAOYSA-N 1 1 375.469 3.088 20 5 GGBDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccsc1 ZINC000058932126 1407900819 /nfs/dbraw/zinc/90/08/19/1407900819.db2.gz NFVGQVLYNCBCJN-INIZCTEOSA-N 1 1 397.522 3.326 20 5 GGBDMO Cc1ccc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000060064742 1407936021 /nfs/dbraw/zinc/93/60/21/1407936021.db2.gz ZNSSOPOGFYOLEQ-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1ccc(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000060064742 1407936028 /nfs/dbraw/zinc/93/60/28/1407936028.db2.gz ZNSSOPOGFYOLEQ-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000060500068 1407991562 /nfs/dbraw/zinc/99/15/62/1407991562.db2.gz UOIFIHQYMFKGOC-GASCZTMLSA-N 1 1 397.541 3.248 20 5 GGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)ccc1Oc1ccccc1Cl ZINC000061002662 1408063091 /nfs/dbraw/zinc/06/30/91/1408063091.db2.gz ZUBMLUALTHRVDF-CYBMUJFWSA-N 1 1 396.852 3.317 20 5 GGBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000061623895 1408153928 /nfs/dbraw/zinc/15/39/28/1408153928.db2.gz HTVMSVZCJWNVHS-UHFFFAOYSA-N 1 1 389.415 3.360 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC000061622528 1408154209 /nfs/dbraw/zinc/15/42/09/1408154209.db2.gz LUCWXDRJOMQWIA-UHFFFAOYSA-N 1 1 386.408 3.193 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000176396304 1428300032 /nfs/dbraw/zinc/30/00/32/1428300032.db2.gz KDGLNOBQIWTDLB-CQSZACIVSA-N 1 1 375.391 3.180 20 5 GGBDMO CCc1nc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cs1 ZINC000063603926 1408377572 /nfs/dbraw/zinc/37/75/72/1408377572.db2.gz UTYARNOPQDQRPB-UHFFFAOYSA-N 1 1 378.454 3.083 20 5 GGBDMO CCc1nc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cs1 ZINC000063603926 1408377576 /nfs/dbraw/zinc/37/75/76/1408377576.db2.gz UTYARNOPQDQRPB-UHFFFAOYSA-N 1 1 378.454 3.083 20 5 GGBDMO C[N@@H+](CCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000063697517 1408393077 /nfs/dbraw/zinc/39/30/77/1408393077.db2.gz OHRDLMSUPTWLGP-UHFFFAOYSA-N 1 1 392.253 3.219 20 5 GGBDMO CCOc1cc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000063771812 1408406562 /nfs/dbraw/zinc/40/65/62/1408406562.db2.gz CCSLMWPUEDZHAV-UHFFFAOYSA-N 1 1 393.484 3.339 20 5 GGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000063771304 1408406793 /nfs/dbraw/zinc/40/67/93/1408406793.db2.gz DXSIQKBAHXQLJJ-UHFFFAOYSA-N 1 1 385.468 3.117 20 5 GGBDMO Cc1c(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063772000 1408406847 /nfs/dbraw/zinc/40/68/47/1408406847.db2.gz CFVDKJNCAZZDNR-UHFFFAOYSA-N 1 1 378.429 3.148 20 5 GGBDMO CC[N@H+]1CCC[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000063852763 1408428820 /nfs/dbraw/zinc/42/88/20/1408428820.db2.gz HQUVCTAEDXCIGR-QGZVFWFLSA-N 1 1 377.488 3.003 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000064113156 1408485895 /nfs/dbraw/zinc/48/58/95/1408485895.db2.gz YZPVADSZYXPBES-HNNXBMFYSA-N 1 1 385.468 3.236 20 5 GGBDMO Cc1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000064114120 1408486305 /nfs/dbraw/zinc/48/63/05/1408486305.db2.gz ZCUYPEZHNCHRBJ-SFHVURJKSA-N 1 1 377.466 3.022 20 5 GGBDMO CC(C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350029 1408538047 /nfs/dbraw/zinc/53/80/47/1408538047.db2.gz PFLOZBAKLXDJJK-UHFFFAOYSA-N 1 1 398.419 3.303 20 5 GGBDMO CC(C)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350029 1408538053 /nfs/dbraw/zinc/53/80/53/1408538053.db2.gz PFLOZBAKLXDJJK-UHFFFAOYSA-N 1 1 398.419 3.303 20 5 GGBDMO CC(=O)Nc1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350484 1408538232 /nfs/dbraw/zinc/53/82/32/1408538232.db2.gz KJGRMFYGMIAUNC-UHFFFAOYSA-N 1 1 384.436 3.402 20 5 GGBDMO CC(=O)Nc1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350484 1408538238 /nfs/dbraw/zinc/53/82/38/1408538238.db2.gz KJGRMFYGMIAUNC-UHFFFAOYSA-N 1 1 384.436 3.402 20 5 GGBDMO CCNC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350232 1408538328 /nfs/dbraw/zinc/53/83/28/1408538328.db2.gz XKUIRVSNSXYTIR-UHFFFAOYSA-N 1 1 398.463 3.194 20 5 GGBDMO CCNC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350232 1408538333 /nfs/dbraw/zinc/53/83/33/1408538333.db2.gz XKUIRVSNSXYTIR-UHFFFAOYSA-N 1 1 398.463 3.194 20 5 GGBDMO CC(C)[N@H+](CC(=O)NCCOc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350788 1408538501 /nfs/dbraw/zinc/53/85/01/1408538501.db2.gz PVMSPHCLNVZIBA-UHFFFAOYSA-N 1 1 389.427 3.140 20 5 GGBDMO CC(C)[N@@H+](CC(=O)NCCOc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350788 1408538506 /nfs/dbraw/zinc/53/85/06/1408538506.db2.gz PVMSPHCLNVZIBA-UHFFFAOYSA-N 1 1 389.427 3.140 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000064521033 1408573338 /nfs/dbraw/zinc/57/33/38/1408573338.db2.gz ACNWYEYGLPUOND-AWEZNQCLSA-N 1 1 389.477 3.307 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000064681367 1408594971 /nfs/dbraw/zinc/59/49/71/1408594971.db2.gz BWUYRSDVCAURTI-NVXWUHKLSA-N 1 1 397.479 3.377 20 5 GGBDMO COc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000064992272 1408634748 /nfs/dbraw/zinc/63/47/48/1408634748.db2.gz YRAHUFRTQUFDJF-UHFFFAOYSA-N 1 1 375.450 3.059 20 5 GGBDMO Cc1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000065013809 1408636084 /nfs/dbraw/zinc/63/60/84/1408636084.db2.gz SUNVHUSHXHMZCP-UHFFFAOYSA-N 1 1 391.493 3.270 20 5 GGBDMO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(F)cccc1F ZINC000065208534 1408652731 /nfs/dbraw/zinc/65/27/31/1408652731.db2.gz UHXKZHVSCVVARQ-UHFFFAOYSA-N 1 1 379.363 3.212 20 5 GGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(F)cccc1F ZINC000065208534 1408652734 /nfs/dbraw/zinc/65/27/34/1408652734.db2.gz UHXKZHVSCVVARQ-UHFFFAOYSA-N 1 1 379.363 3.212 20 5 GGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000065252068 1408656796 /nfs/dbraw/zinc/65/67/96/1408656796.db2.gz TVBNTTGGQJIJBR-SJORKVTESA-N 1 1 377.485 3.381 20 5 GGBDMO CC(C)(CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000065511587 1408681331 /nfs/dbraw/zinc/68/13/31/1408681331.db2.gz BUMRYOZUSWQKLU-UHFFFAOYSA-N 1 1 396.491 3.273 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000065526856 1408684502 /nfs/dbraw/zinc/68/45/02/1408684502.db2.gz VTXNHGHPUNUVPY-IYBDPMFKSA-N 1 1 391.516 3.062 20 5 GGBDMO Cc1cccc(C(=O)N2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000065533410 1408684928 /nfs/dbraw/zinc/68/49/28/1408684928.db2.gz SLDMDLLSYDXBRB-UHFFFAOYSA-N 1 1 383.448 3.130 20 5 GGBDMO Cc1cccc(C(=O)N2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000065533410 1408684934 /nfs/dbraw/zinc/68/49/34/1408684934.db2.gz SLDMDLLSYDXBRB-UHFFFAOYSA-N 1 1 383.448 3.130 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)c1ccccc1 ZINC000176496213 1428339765 /nfs/dbraw/zinc/33/97/65/1428339765.db2.gz GGOABPFJCJSOLU-MRXNPFEDSA-N 1 1 393.447 3.044 20 5 GGBDMO O=C(NC[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)c1ccccc1 ZINC000176496213 1428339771 /nfs/dbraw/zinc/33/97/71/1428339771.db2.gz GGOABPFJCJSOLU-MRXNPFEDSA-N 1 1 393.447 3.044 20 5 GGBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000065740180 1408721875 /nfs/dbraw/zinc/72/18/75/1408721875.db2.gz RKZRVRPVAFALEY-UHFFFAOYSA-N 1 1 382.445 3.497 20 5 GGBDMO COc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000065739791 1408722017 /nfs/dbraw/zinc/72/20/17/1408722017.db2.gz JIVSENLHWRWDDQ-UHFFFAOYSA-N 1 1 396.403 3.036 20 5 GGBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065844046 1408740760 /nfs/dbraw/zinc/74/07/60/1408740760.db2.gz DSVPJKVKKNNHOQ-IBGZPJMESA-N 1 1 392.459 3.330 20 5 GGBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000065970895 1408765183 /nfs/dbraw/zinc/76/51/83/1408765183.db2.gz GSLMQXOVXBUUFT-UHFFFAOYSA-N 1 1 391.493 3.087 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000066050671 1408779272 /nfs/dbraw/zinc/77/92/72/1408779272.db2.gz LVFMRJXAKMPVPK-IYBDPMFKSA-N 1 1 386.496 3.422 20 5 GGBDMO CC[NH+]1CCN(C(=O)CC2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000066468194 1408843476 /nfs/dbraw/zinc/84/34/76/1408843476.db2.gz HLIFNFSQQLSEBL-UHFFFAOYSA-N 1 1 394.903 3.019 20 5 GGBDMO CC[NH+]1CCN(C(=O)CC2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000066468215 1408843530 /nfs/dbraw/zinc/84/35/30/1408843530.db2.gz IRAKIEMQLHDHJD-UHFFFAOYSA-N 1 1 394.903 3.019 20 5 GGBDMO CC(C)[NH+]1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000066484141 1408845380 /nfs/dbraw/zinc/84/53/80/1408845380.db2.gz ZTKHRMILYGYEJA-MRXNPFEDSA-N 1 1 397.479 3.329 20 5 GGBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000066676374 1408882541 /nfs/dbraw/zinc/88/25/41/1408882541.db2.gz UYMQEWKPWLFZMX-UHFFFAOYSA-N 1 1 397.475 3.344 20 5 GGBDMO Cc1cc(N2CCC[C@H](OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000066733122 1408896838 /nfs/dbraw/zinc/89/68/38/1408896838.db2.gz CSGNXWIOWWQDER-HKMNZKMDSA-N 1 1 382.420 3.227 20 5 GGBDMO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000067068852 1408999861 /nfs/dbraw/zinc/99/98/61/1408999861.db2.gz OPPXUVQSLUGQNL-UHFFFAOYSA-N 1 1 386.408 3.173 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000067203007 1409040409 /nfs/dbraw/zinc/04/04/09/1409040409.db2.gz ZQSUTRIGHIUWFJ-INIZCTEOSA-N 1 1 375.469 3.378 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000176582025 1428370806 /nfs/dbraw/zinc/37/08/06/1428370806.db2.gz NOKLYEKFURAFFU-WBVHZDCISA-N 1 1 383.448 3.386 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000067361457 1409084987 /nfs/dbraw/zinc/08/49/87/1409084987.db2.gz AAUJYEXQNSFOEU-MRXNPFEDSA-N 1 1 393.447 3.113 20 5 GGBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000067361457 1409084992 /nfs/dbraw/zinc/08/49/92/1409084992.db2.gz AAUJYEXQNSFOEU-MRXNPFEDSA-N 1 1 393.447 3.113 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000067361457 1409084997 /nfs/dbraw/zinc/08/49/97/1409084997.db2.gz AAUJYEXQNSFOEU-MRXNPFEDSA-N 1 1 393.447 3.113 20 5 GGBDMO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374746 1409090925 /nfs/dbraw/zinc/09/09/25/1409090925.db2.gz OSPRMICCTDVVBQ-QGZVFWFLSA-N 1 1 391.374 3.434 20 5 GGBDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374746 1409090928 /nfs/dbraw/zinc/09/09/28/1409090928.db2.gz OSPRMICCTDVVBQ-QGZVFWFLSA-N 1 1 391.374 3.434 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000176598006 1428375162 /nfs/dbraw/zinc/37/51/62/1428375162.db2.gz PBAUNFRUHVOLBE-SFHVURJKSA-N 1 1 376.501 3.195 20 5 GGBDMO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000067452417 1409122469 /nfs/dbraw/zinc/12/24/69/1409122469.db2.gz CEQJLAYEBIIZBJ-OAQYLSRUSA-N 1 1 396.491 3.332 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1F ZINC000067524197 1409144391 /nfs/dbraw/zinc/14/43/91/1409144391.db2.gz ZQTMBDNZEYGYMY-UHFFFAOYSA-N 1 1 398.394 3.313 20 5 GGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000067532488 1409148731 /nfs/dbraw/zinc/14/87/31/1409148731.db2.gz OBRCQAFYYVYLLT-AWEZNQCLSA-N 1 1 396.447 3.136 20 5 GGBDMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000067532488 1409148738 /nfs/dbraw/zinc/14/87/38/1409148738.db2.gz OBRCQAFYYVYLLT-AWEZNQCLSA-N 1 1 396.447 3.136 20 5 GGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067536236 1409150795 /nfs/dbraw/zinc/15/07/95/1409150795.db2.gz LXHBPKDKMSUOKD-UHFFFAOYSA-N 1 1 382.464 3.321 20 5 GGBDMO CC(C)(CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000067724080 1409215504 /nfs/dbraw/zinc/21/55/04/1409215504.db2.gz CDPFUXYHKSUJLM-UHFFFAOYSA-N 1 1 382.464 3.231 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)CCO1 ZINC000067903805 1409253090 /nfs/dbraw/zinc/25/30/90/1409253090.db2.gz TYKRNASUSMBQDB-CQSZACIVSA-N 1 1 386.408 3.336 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)CCO1 ZINC000067903805 1409253096 /nfs/dbraw/zinc/25/30/96/1409253096.db2.gz TYKRNASUSMBQDB-CQSZACIVSA-N 1 1 386.408 3.336 20 5 GGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccncc21 ZINC000067949272 1409261877 /nfs/dbraw/zinc/26/18/77/1409261877.db2.gz RQOFXTHPMGWWGU-QGZVFWFLSA-N 1 1 378.432 3.456 20 5 GGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c2ccncc21 ZINC000067949272 1409261883 /nfs/dbraw/zinc/26/18/83/1409261883.db2.gz RQOFXTHPMGWWGU-QGZVFWFLSA-N 1 1 378.432 3.456 20 5 GGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCc2ccccn2)CC1 ZINC000067948629 1409262177 /nfs/dbraw/zinc/26/21/77/1409262177.db2.gz UDNWZRYAKFBWQR-UHFFFAOYSA-N 1 1 380.370 3.373 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000068219199 1409333638 /nfs/dbraw/zinc/33/36/38/1409333638.db2.gz LPCBIENDDCKMBZ-HNNXBMFYSA-N 1 1 382.464 3.419 20 5 GGBDMO O=C(c1cc(NCC[NH+]2Cc3ccccc3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000068321480 1409365523 /nfs/dbraw/zinc/36/55/23/1409365523.db2.gz LZQBTVSQFHSQLQ-UHFFFAOYSA-N 1 1 380.448 3.259 20 5 GGBDMO O=C(CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000068371948 1409382940 /nfs/dbraw/zinc/38/29/40/1409382940.db2.gz URIIXSAMNWCVOO-INIZCTEOSA-N 1 1 396.447 3.274 20 5 GGBDMO C[C@H]([NH2+]C(C)(C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000068387578 1409387308 /nfs/dbraw/zinc/38/73/08/1409387308.db2.gz XKXMXPDCRLLNPU-ZDUSSCGKSA-N 1 1 381.436 3.330 20 5 GGBDMO Cc1ccc(NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000068555187 1409437668 /nfs/dbraw/zinc/43/76/68/1409437668.db2.gz BATYSNCBVYITPL-IYBDPMFKSA-N 1 1 390.484 3.256 20 5 GGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000069369066 1409623580 /nfs/dbraw/zinc/62/35/80/1409623580.db2.gz AFHJATHYIIKLDR-RDJZCZTQSA-N 1 1 385.489 3.466 20 5 GGBDMO C[N@@H+](CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000069500479 1409644258 /nfs/dbraw/zinc/64/42/58/1409644258.db2.gz ISZWFHPIGZSRHE-UHFFFAOYSA-N 1 1 385.468 3.165 20 5 GGBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000070670884 1409748823 /nfs/dbraw/zinc/74/88/23/1409748823.db2.gz GMGJJXVWQXOWSS-UHFFFAOYSA-N 1 1 381.860 3.013 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176720922 1428433060 /nfs/dbraw/zinc/43/30/60/1428433060.db2.gz LXEUSRWTJPEBPG-PBHICJAKSA-N 1 1 398.419 3.286 20 5 GGBDMO Cc1cccc(C(=O)N2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000071906187 1409829720 /nfs/dbraw/zinc/82/97/20/1409829720.db2.gz AHLQQZBYRUCGGQ-UHFFFAOYSA-N 1 1 383.448 3.130 20 5 GGBDMO Cc1cccc(C(=O)N2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000071906187 1409829721 /nfs/dbraw/zinc/82/97/21/1409829721.db2.gz AHLQQZBYRUCGGQ-UHFFFAOYSA-N 1 1 383.448 3.130 20 5 GGBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072072799 1409845358 /nfs/dbraw/zinc/84/53/58/1409845358.db2.gz AQIDSWPMMKKEJI-UHFFFAOYSA-N 1 1 396.491 3.174 20 5 GGBDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000072074355 1409846086 /nfs/dbraw/zinc/84/60/86/1409846086.db2.gz VXYDNRSIIVCRNG-UHFFFAOYSA-N 1 1 383.857 3.005 20 5 GGBDMO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)CN1CC[NH+](C)CC1 ZINC000074137859 1409869260 /nfs/dbraw/zinc/86/92/60/1409869260.db2.gz VSMXVLPPOUNQER-KRWDZBQOSA-N 1 1 376.504 3.001 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000074319819 1409871543 /nfs/dbraw/zinc/87/15/43/1409871543.db2.gz DJJUXEKZVUJHDL-MRXNPFEDSA-N 1 1 376.501 3.366 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000074319627 1409871572 /nfs/dbraw/zinc/87/15/72/1409871572.db2.gz CBHZPQPPXQJVRK-MRXNPFEDSA-N 1 1 376.501 3.366 20 5 GGBDMO CCc1nn(C)c(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091742993 1410079042 /nfs/dbraw/zinc/07/90/42/1410079042.db2.gz YUSSAASIDCWODS-MJGOQNOKSA-N 1 1 383.496 3.382 20 5 GGBDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092456122 1410158904 /nfs/dbraw/zinc/15/89/04/1410158904.db2.gz WCFPLFFVDXQYJI-CQSZACIVSA-N 1 1 375.450 3.493 20 5 GGBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092456122 1410158915 /nfs/dbraw/zinc/15/89/15/1410158915.db2.gz WCFPLFFVDXQYJI-CQSZACIVSA-N 1 1 375.450 3.493 20 5 GGBDMO Cc1ccc(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000092511924 1410164697 /nfs/dbraw/zinc/16/46/97/1410164697.db2.gz DTIDESNGXAQORU-UHFFFAOYSA-N 1 1 392.477 3.208 20 5 GGBDMO Cc1ccc(C[N@@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000092511924 1410164708 /nfs/dbraw/zinc/16/47/08/1410164708.db2.gz DTIDESNGXAQORU-UHFFFAOYSA-N 1 1 392.477 3.208 20 5 GGBDMO COC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000093337720 1410235846 /nfs/dbraw/zinc/23/58/46/1410235846.db2.gz CIKOTGXKORFBMT-GFCCVEGCSA-N 1 1 392.374 3.403 20 5 GGBDMO COc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1OC(F)F ZINC000093534417 1410250710 /nfs/dbraw/zinc/25/07/10/1410250710.db2.gz GJHAEGSYSDEINT-ZDUSSCGKSA-N 1 1 394.378 3.286 20 5 GGBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1OC(F)F ZINC000093534417 1410250716 /nfs/dbraw/zinc/25/07/16/1410250716.db2.gz GJHAEGSYSDEINT-ZDUSSCGKSA-N 1 1 394.378 3.286 20 5 GGBDMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534215 1410250883 /nfs/dbraw/zinc/25/08/83/1410250883.db2.gz CPWGVRHZUSIUMV-KRWDZBQOSA-N 1 1 378.436 3.375 20 5 GGBDMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534357 1410250899 /nfs/dbraw/zinc/25/08/99/1410250899.db2.gz IVMVXUHGYHTMAC-KRWDZBQOSA-N 1 1 392.463 3.479 20 5 GGBDMO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(OC(F)F)c1 ZINC000093534304 1410251012 /nfs/dbraw/zinc/25/10/12/1410251012.db2.gz GASAYNRCRHCWIZ-CYBMUJFWSA-N 1 1 394.378 3.286 20 5 GGBDMO COc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(OC(F)F)c1 ZINC000093534304 1410251018 /nfs/dbraw/zinc/25/10/18/1410251018.db2.gz GASAYNRCRHCWIZ-CYBMUJFWSA-N 1 1 394.378 3.286 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(Cl)c1OC ZINC000093534393 1410251356 /nfs/dbraw/zinc/25/13/56/1410251356.db2.gz RHMVGYGXCHZBKR-ZDUSSCGKSA-N 1 1 392.843 3.347 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(Cl)c1OC ZINC000093534393 1410251363 /nfs/dbraw/zinc/25/13/63/1410251363.db2.gz RHMVGYGXCHZBKR-ZDUSSCGKSA-N 1 1 392.843 3.347 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c(F)cccc3N3CCCC3)C2)nc1 ZINC000093534861 1410251651 /nfs/dbraw/zinc/25/16/51/1410251651.db2.gz GAOXREQDCSDJTL-OAHLLOKOSA-N 1 1 385.443 3.416 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c(F)cccc3N3CCCC3)C2)nc1 ZINC000093534860 1410251885 /nfs/dbraw/zinc/25/18/85/1410251885.db2.gz GAOXREQDCSDJTL-HNNXBMFYSA-N 1 1 385.443 3.416 20 5 GGBDMO Cn1cc(C[NH+]2CCN(c3cccs3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093692002 1410259803 /nfs/dbraw/zinc/25/98/03/1410259803.db2.gz SLEDMSRXCHVHQA-UHFFFAOYSA-N 1 1 383.477 3.379 20 5 GGBDMO COCCOC[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093754156 1410263801 /nfs/dbraw/zinc/26/38/01/1410263801.db2.gz UXJFRVGPMGIPFX-AWEZNQCLSA-N 1 1 377.466 3.203 20 5 GGBDMO O=[N+]([O-])c1cn(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)nc1-c1ccncc1 ZINC000176806082 1428472466 /nfs/dbraw/zinc/47/24/66/1428472466.db2.gz RNVXLUIMPPCQFK-IBGZPJMESA-N 1 1 393.447 3.144 20 5 GGBDMO O=[N+]([O-])c1cn(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)nc1-c1ccncc1 ZINC000176806082 1428472476 /nfs/dbraw/zinc/47/24/76/1428472476.db2.gz RNVXLUIMPPCQFK-IBGZPJMESA-N 1 1 393.447 3.144 20 5 GGBDMO CCC[NH+]1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000097026037 1410346713 /nfs/dbraw/zinc/34/67/13/1410346713.db2.gz VPXRRIYKNSDYNI-MRXNPFEDSA-N 1 1 397.479 3.331 20 5 GGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1Cc1ccccc1 ZINC000176815968 1428478910 /nfs/dbraw/zinc/47/89/10/1428478910.db2.gz PTPOJFKZBLZSEN-RDJZCZTQSA-N 1 1 382.464 3.302 20 5 GGBDMO CN(c1ccccc1)C1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000176819906 1428482532 /nfs/dbraw/zinc/48/25/32/1428482532.db2.gz JMSWDOFTBZHQDQ-UHFFFAOYSA-N 1 1 392.463 3.412 20 5 GGBDMO O=C(C[NH+]1CCC(Nc2ccc(F)cc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000101561329 1410464903 /nfs/dbraw/zinc/46/49/03/1410464903.db2.gz OOFWFMGHWPGZEX-UHFFFAOYSA-N 1 1 398.438 3.200 20 5 GGBDMO O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000101607266 1410477611 /nfs/dbraw/zinc/47/76/11/1410477611.db2.gz SMXODRTWQIGSFN-UHFFFAOYSA-N 1 1 396.491 3.445 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102230581 1410583909 /nfs/dbraw/zinc/58/39/09/1410583909.db2.gz XDOZAWOQPXVODH-MRXNPFEDSA-N 1 1 399.495 3.217 20 5 GGBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102393129 1410618958 /nfs/dbraw/zinc/61/89/58/1410618958.db2.gz FICRPAQUPPYYSV-ZDUSSCGKSA-N 1 1 388.815 3.332 20 5 GGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102393129 1410618968 /nfs/dbraw/zinc/61/89/68/1410618968.db2.gz FICRPAQUPPYYSV-ZDUSSCGKSA-N 1 1 388.815 3.332 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000176885047 1428512153 /nfs/dbraw/zinc/51/21/53/1428512153.db2.gz HIHOHYDGGRIQCM-VQIMIIECSA-N 1 1 382.464 3.399 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000103145207 1410832093 /nfs/dbraw/zinc/83/20/93/1410832093.db2.gz VHRDLDXAGHAXBI-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000103145207 1410832094 /nfs/dbraw/zinc/83/20/94/1410832094.db2.gz VHRDLDXAGHAXBI-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458172 1410859548 /nfs/dbraw/zinc/85/95/48/1410859548.db2.gz UXZIVRMVMVIVTB-SJLPKXTDSA-N 1 1 399.495 3.433 20 5 GGBDMO O=C(NCCc1cccs1)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103471090 1410861308 /nfs/dbraw/zinc/86/13/08/1410861308.db2.gz FYIIJVLUAHXAIZ-UHFFFAOYSA-N 1 1 391.468 3.366 20 5 GGBDMO CCOC(=O)N[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104674334 1410923846 /nfs/dbraw/zinc/92/38/46/1410923846.db2.gz DSXIYIMVIPMRCP-HNNXBMFYSA-N 1 1 388.424 3.003 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000104673647 1410925866 /nfs/dbraw/zinc/92/58/66/1410925866.db2.gz RQSKBTSDBJDQHU-HNNXBMFYSA-N 1 1 385.468 3.299 20 5 GGBDMO CCCC(=O)N[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104682587 1410927072 /nfs/dbraw/zinc/92/70/72/1410927072.db2.gz LAISXAYAZVWGPB-MRXNPFEDSA-N 1 1 386.452 3.173 20 5 GGBDMO CC(C)C(=O)N[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104682129 1410927515 /nfs/dbraw/zinc/92/75/15/1410927515.db2.gz IRVOFPKZLCXKCB-INIZCTEOSA-N 1 1 386.452 3.029 20 5 GGBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc2c(c1)OCO2 ZINC000105231939 1411045475 /nfs/dbraw/zinc/04/54/75/1411045475.db2.gz SBFSFOPZBPAZLW-UHFFFAOYSA-N 1 1 391.811 3.438 20 5 GGBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc2c(c1)OCO2 ZINC000105231939 1411045483 /nfs/dbraw/zinc/04/54/83/1411045483.db2.gz SBFSFOPZBPAZLW-UHFFFAOYSA-N 1 1 391.811 3.438 20 5 GGBDMO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CN1CCN(C)CC1 ZINC000105439328 1411066942 /nfs/dbraw/zinc/06/69/42/1411066942.db2.gz ROPGIXNKNIKZIF-INIZCTEOSA-N 1 1 388.537 3.296 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000105545327 1411083019 /nfs/dbraw/zinc/08/30/19/1411083019.db2.gz GKQVPSNHZYPWPJ-QGZVFWFLSA-N 1 1 382.464 3.130 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000106083664 1411166559 /nfs/dbraw/zinc/16/65/59/1411166559.db2.gz RENZEUBDDDGDCA-CALCHBBNSA-N 1 1 397.475 3.063 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000176998116 1428547084 /nfs/dbraw/zinc/54/70/84/1428547084.db2.gz QASMIZLXRKQKPB-SFHVURJKSA-N 1 1 396.491 3.470 20 5 GGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106788035 1411301284 /nfs/dbraw/zinc/30/12/84/1411301284.db2.gz VCRZERYGWZLJJZ-CQSZACIVSA-N 1 1 386.477 3.465 20 5 GGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106790157 1411301339 /nfs/dbraw/zinc/30/13/39/1411301339.db2.gz QVJJQDHBYIJDCN-TZMCWYRMSA-N 1 1 381.860 3.149 20 5 GGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106790159 1411301595 /nfs/dbraw/zinc/30/15/95/1411301595.db2.gz QVJJQDHBYIJDCN-JSGCOSHPSA-N 1 1 381.860 3.149 20 5 GGBDMO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000107716361 1411401251 /nfs/dbraw/zinc/40/12/51/1411401251.db2.gz SQWTVAHMCOTLHR-UHFFFAOYSA-N 1 1 376.478 3.456 20 5 GGBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177036999 1428563305 /nfs/dbraw/zinc/56/33/05/1428563305.db2.gz ODMNDCPVJXESQD-LBPRGKRZSA-N 1 1 376.413 3.083 20 5 GGBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177036999 1428563311 /nfs/dbraw/zinc/56/33/11/1428563311.db2.gz ODMNDCPVJXESQD-LBPRGKRZSA-N 1 1 376.413 3.083 20 5 GGBDMO CN(C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)C(=O)OC(C)(C)C ZINC000177049479 1428568254 /nfs/dbraw/zinc/56/82/54/1428568254.db2.gz FBBQWOMXIQWMGO-CYBMUJFWSA-N 1 1 390.440 3.425 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)C(=O)OC(C)(C)C ZINC000177049479 1428568264 /nfs/dbraw/zinc/56/82/64/1428568264.db2.gz FBBQWOMXIQWMGO-CYBMUJFWSA-N 1 1 390.440 3.425 20 5 GGBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000108302287 1411468086 /nfs/dbraw/zinc/46/80/86/1411468086.db2.gz LRFVIDPHTRPSIN-IBGZPJMESA-N 1 1 394.475 3.421 20 5 GGBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000108337281 1411476150 /nfs/dbraw/zinc/47/61/50/1411476150.db2.gz PWYNZIIRZYTUNV-HNNXBMFYSA-N 1 1 399.447 3.467 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000108576436 1411543072 /nfs/dbraw/zinc/54/30/72/1411543072.db2.gz WVXTYHOZJQIVLM-UHFFFAOYSA-N 1 1 375.469 3.332 20 5 GGBDMO CC1CCN(c2ccc(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)cc2[N+](=O)[O-])CC1 ZINC000108783909 1411608493 /nfs/dbraw/zinc/60/84/93/1411608493.db2.gz HTUHMSXBFRBEEJ-MRXNPFEDSA-N 1 1 386.496 3.045 20 5 GGBDMO Cc1cc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000109049053 1411670854 /nfs/dbraw/zinc/67/08/54/1411670854.db2.gz KVNPOOVTEVYPSN-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1cc(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000109049053 1411670856 /nfs/dbraw/zinc/67/08/56/1411670856.db2.gz KVNPOOVTEVYPSN-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000109122921 1411688183 /nfs/dbraw/zinc/68/81/83/1411688183.db2.gz TZQRCTLGRUHQNN-MRXNPFEDSA-N 1 1 385.468 3.022 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000109122487 1411688611 /nfs/dbraw/zinc/68/86/11/1411688611.db2.gz AGZWPIYWXQASKM-MRXNPFEDSA-N 1 1 385.468 3.165 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000109312737 1411738764 /nfs/dbraw/zinc/73/87/64/1411738764.db2.gz FVELXNLEYLATTJ-LJQANCHMSA-N 1 1 382.464 3.425 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)nc1 ZINC000177119742 1428593570 /nfs/dbraw/zinc/59/35/70/1428593570.db2.gz MZIZBUZTVJRRAY-CQSZACIVSA-N 1 1 395.419 3.290 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)nc1 ZINC000177119742 1428593574 /nfs/dbraw/zinc/59/35/74/1428593574.db2.gz MZIZBUZTVJRRAY-CQSZACIVSA-N 1 1 395.419 3.290 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c2c(c1)COCO2 ZINC000177137037 1428599380 /nfs/dbraw/zinc/59/93/80/1428599380.db2.gz RGPZUCLNGYSPGF-IBGZPJMESA-N 1 1 384.432 3.295 20 5 GGBDMO C[C@H](c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000110721795 1411865898 /nfs/dbraw/zinc/86/58/98/1411865898.db2.gz HQSUBIBHQKGOBL-OAHLLOKOSA-N 1 1 385.420 3.006 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000110875183 1411875062 /nfs/dbraw/zinc/87/50/62/1411875062.db2.gz VOXVNGMTAWZCDV-ZBFHGGJFSA-N 1 1 384.436 3.117 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000110875183 1411875063 /nfs/dbraw/zinc/87/50/63/1411875063.db2.gz VOXVNGMTAWZCDV-ZBFHGGJFSA-N 1 1 384.436 3.117 20 5 GGBDMO C[C@H](CN1CCOCC1)[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000111172589 1411893686 /nfs/dbraw/zinc/89/36/86/1411893686.db2.gz JTJHSYUGMVWWAZ-LJQANCHMSA-N 1 1 399.491 3.197 20 5 GGBDMO Cc1cc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000111611999 1412001196 /nfs/dbraw/zinc/00/11/96/1412001196.db2.gz JHLBMWMKFMQVNB-AWEZNQCLSA-N 1 1 384.436 3.131 20 5 GGBDMO CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000112198142 1412092266 /nfs/dbraw/zinc/09/22/66/1412092266.db2.gz YNXONHSDUQSWTQ-INIZCTEOSA-N 1 1 389.496 3.077 20 5 GGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+]CCn1cccn1)c1ccccc1 ZINC000112548125 1412167002 /nfs/dbraw/zinc/16/70/02/1412167002.db2.gz RQRVWASVBLSQNM-SFHVURJKSA-N 1 1 399.838 3.414 20 5 GGBDMO CC(C)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1 ZINC000112655685 1412186375 /nfs/dbraw/zinc/18/63/75/1412186375.db2.gz LMJHYIDRDFPGPN-IBGZPJMESA-N 1 1 389.427 3.024 20 5 GGBDMO CC(C)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000112655689 1412187577 /nfs/dbraw/zinc/18/75/77/1412187577.db2.gz LMJHYIDRDFPGPN-LJQANCHMSA-N 1 1 389.427 3.024 20 5 GGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000112670360 1412188726 /nfs/dbraw/zinc/18/87/26/1412188726.db2.gz RJDJMETWYKRNKI-KRWDZBQOSA-N 1 1 392.459 3.282 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000112670360 1412188733 /nfs/dbraw/zinc/18/87/33/1412188733.db2.gz RJDJMETWYKRNKI-KRWDZBQOSA-N 1 1 392.459 3.282 20 5 GGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000112694937 1412193804 /nfs/dbraw/zinc/19/38/04/1412193804.db2.gz IMVGUBQZTWFDRX-INIZCTEOSA-N 1 1 399.495 3.290 20 5 GGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000112694937 1412193813 /nfs/dbraw/zinc/19/38/13/1412193813.db2.gz IMVGUBQZTWFDRX-INIZCTEOSA-N 1 1 399.495 3.290 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000112918653 1412240072 /nfs/dbraw/zinc/24/00/72/1412240072.db2.gz CBHIYMOQFAIKEA-UHFFFAOYSA-N 1 1 378.429 3.087 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000112918622 1412240387 /nfs/dbraw/zinc/24/03/87/1412240387.db2.gz LDILHEGJHYAMHZ-UHFFFAOYSA-N 1 1 399.495 3.365 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]3COc3ccccc3)n2)c1 ZINC000112959623 1412246624 /nfs/dbraw/zinc/24/66/24/1412246624.db2.gz NDSDMRLKSMFJEE-SFHVURJKSA-N 1 1 379.420 3.354 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@H]3COc3ccccc3)n2)c1 ZINC000112959623 1412246632 /nfs/dbraw/zinc/24/66/32/1412246632.db2.gz NDSDMRLKSMFJEE-SFHVURJKSA-N 1 1 379.420 3.354 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000112984723 1412250771 /nfs/dbraw/zinc/25/07/71/1412250771.db2.gz SDZIXPSOCHSZQX-KRWDZBQOSA-N 1 1 399.447 3.475 20 5 GGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000113196197 1412274060 /nfs/dbraw/zinc/27/40/60/1412274060.db2.gz BJIRKPKNFQACBB-CQSZACIVSA-N 1 1 378.429 3.114 20 5 GGBDMO CNC(=O)c1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000113320183 1412292059 /nfs/dbraw/zinc/29/20/59/1412292059.db2.gz YXVZUXLLZPDAPY-UHFFFAOYSA-N 1 1 382.445 3.368 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000113901113 1412347907 /nfs/dbraw/zinc/34/79/07/1412347907.db2.gz LHPAZSQKPPKSAX-SJORKVTESA-N 1 1 375.469 3.087 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000113901662 1412348765 /nfs/dbraw/zinc/34/87/65/1412348765.db2.gz QCAUOWXASGANPT-GJZGRUSLSA-N 1 1 385.468 3.198 20 5 GGBDMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000113901662 1412348769 /nfs/dbraw/zinc/34/87/69/1412348769.db2.gz QCAUOWXASGANPT-GJZGRUSLSA-N 1 1 385.468 3.198 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000113901662 1412348772 /nfs/dbraw/zinc/34/87/72/1412348772.db2.gz QCAUOWXASGANPT-GJZGRUSLSA-N 1 1 385.468 3.198 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113933781 1412354529 /nfs/dbraw/zinc/35/45/29/1412354529.db2.gz RPYRTQFBZQJMNV-ROUUACIJSA-N 1 1 388.512 3.428 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113934483 1412355130 /nfs/dbraw/zinc/35/51/30/1412355130.db2.gz JPZAVXGYQQTFKU-ROUUACIJSA-N 1 1 388.512 3.428 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113934484 1412355308 /nfs/dbraw/zinc/35/53/08/1412355308.db2.gz JPZAVXGYQQTFKU-ZWKOTPCHSA-N 1 1 388.512 3.428 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000113940554 1412356893 /nfs/dbraw/zinc/35/68/93/1412356893.db2.gz QMXVUHQOHRKDAR-UHFFFAOYSA-N 1 1 387.411 3.388 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000113940554 1412356898 /nfs/dbraw/zinc/35/68/98/1412356898.db2.gz QMXVUHQOHRKDAR-UHFFFAOYSA-N 1 1 387.411 3.388 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000113945033 1412357456 /nfs/dbraw/zinc/35/74/56/1412357456.db2.gz VPACJRGINARQHY-CABCVRRESA-N 1 1 399.488 3.009 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000114192047 1412391442 /nfs/dbraw/zinc/39/14/42/1412391442.db2.gz ONDPVGRYZUZYGQ-FQEVSTJZSA-N 1 1 383.448 3.214 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCO)[C@H]3CCc4ccccc43)n2)c1 ZINC000114192071 1412391791 /nfs/dbraw/zinc/39/17/91/1412391791.db2.gz ONNLXOWBAWNBMY-SFHVURJKSA-N 1 1 380.404 3.127 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCO)[C@H]3CCc4ccccc43)n2)c1 ZINC000114192071 1412391795 /nfs/dbraw/zinc/39/17/95/1412391795.db2.gz ONNLXOWBAWNBMY-SFHVURJKSA-N 1 1 380.404 3.127 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c2c(c1)COCO2 ZINC000114468636 1412439948 /nfs/dbraw/zinc/43/99/48/1412439948.db2.gz JGFZICVBBPSPKZ-FQEVSTJZSA-N 1 1 384.432 3.333 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114475765 1412440809 /nfs/dbraw/zinc/44/08/09/1412440809.db2.gz NNTADZKZOFJSOX-UHFFFAOYSA-N 1 1 376.501 3.002 20 5 GGBDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000114501506 1412447281 /nfs/dbraw/zinc/44/72/81/1412447281.db2.gz FLVWRQYAPADAGQ-NEPJUHHUSA-N 1 1 391.399 3.429 20 5 GGBDMO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000114501509 1412447589 /nfs/dbraw/zinc/44/75/89/1412447589.db2.gz FLVWRQYAPADAGQ-VXGBXAGGSA-N 1 1 391.399 3.429 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000114644004 1412484507 /nfs/dbraw/zinc/48/45/07/1412484507.db2.gz VTIIGNKELRCJGW-AWEZNQCLSA-N 1 1 375.375 3.267 20 5 GGBDMO CC1CCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)cc2[N+](=O)[O-])CC1 ZINC000115440970 1412677654 /nfs/dbraw/zinc/67/76/54/1412677654.db2.gz JQKLURDNPVCYLA-QGZVFWFLSA-N 1 1 388.512 3.245 20 5 GGBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000115512603 1412698891 /nfs/dbraw/zinc/69/88/91/1412698891.db2.gz APSIRNXWKUKNKS-DOTOQJQBSA-N 1 1 394.431 3.199 20 5 GGBDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000115512598 1412699238 /nfs/dbraw/zinc/69/92/38/1412699238.db2.gz APSIRNXWKUKNKS-RDJZCZTQSA-N 1 1 394.431 3.199 20 5 GGBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000115512595 1412699404 /nfs/dbraw/zinc/69/94/04/1412699404.db2.gz APSIRNXWKUKNKS-WBVHZDCISA-N 1 1 394.431 3.199 20 5 GGBDMO C[N@@H+](CCCO)C1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000115549225 1412705644 /nfs/dbraw/zinc/70/56/44/1412705644.db2.gz CWCRGAJWAGPOFX-UHFFFAOYSA-N 1 1 380.488 3.225 20 5 GGBDMO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000177295634 1428676581 /nfs/dbraw/zinc/67/65/81/1428676581.db2.gz ZBAPTBNGVZBZNU-UHFFFAOYSA-N 1 1 377.441 3.040 20 5 GGBDMO Cc1n[nH]c(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000116448985 1412861932 /nfs/dbraw/zinc/86/19/32/1412861932.db2.gz IIJXYMLVQGXNJQ-UHFFFAOYSA-N 1 1 385.468 3.321 20 5 GGBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000116571345 1412878555 /nfs/dbraw/zinc/87/85/55/1412878555.db2.gz YIQXYLYULMGXOX-UHFFFAOYSA-N 1 1 375.375 3.221 20 5 GGBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000116571345 1412878558 /nfs/dbraw/zinc/87/85/58/1412878558.db2.gz YIQXYLYULMGXOX-UHFFFAOYSA-N 1 1 375.375 3.221 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000116619277 1412887555 /nfs/dbraw/zinc/88/75/55/1412887555.db2.gz ZDNIGAFBRKOZDH-AWEZNQCLSA-N 1 1 381.816 3.029 20 5 GGBDMO CCCO[C@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117340582 1413027251 /nfs/dbraw/zinc/02/72/51/1413027251.db2.gz XEWDBRXRQYUZLG-INIZCTEOSA-N 1 1 377.441 3.174 20 5 GGBDMO O=C(C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000118837410 1413240561 /nfs/dbraw/zinc/24/05/61/1413240561.db2.gz JHXAWRRYABRWAJ-UHFFFAOYSA-N 1 1 379.420 3.289 20 5 GGBDMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867145 1413252975 /nfs/dbraw/zinc/25/29/75/1413252975.db2.gz SBLYYAKTNUXFAR-WFASDCNBSA-N 1 1 389.843 3.157 20 5 GGBDMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867145 1413252992 /nfs/dbraw/zinc/25/29/92/1413252992.db2.gz SBLYYAKTNUXFAR-WFASDCNBSA-N 1 1 389.843 3.157 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000118866443 1413253627 /nfs/dbraw/zinc/25/36/27/1413253627.db2.gz PWGBAIIQZYDVJG-HOTGVXAUSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000118866443 1413253641 /nfs/dbraw/zinc/25/36/41/1413253641.db2.gz PWGBAIIQZYDVJG-HOTGVXAUSA-N 1 1 383.452 3.120 20 5 GGBDMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118867153 1413254316 /nfs/dbraw/zinc/25/43/16/1413254316.db2.gz RHYHVMUZAZWXCO-PBHICJAKSA-N 1 1 383.452 3.066 20 5 GGBDMO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118867153 1413254327 /nfs/dbraw/zinc/25/43/27/1413254327.db2.gz RHYHVMUZAZWXCO-PBHICJAKSA-N 1 1 383.452 3.066 20 5 GGBDMO CN(C(=O)CNC(C)(C)C[N@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000118986842 1413290672 /nfs/dbraw/zinc/29/06/72/1413290672.db2.gz DDJZYMRAWLGERR-UHFFFAOYSA-N 1 1 384.480 3.058 20 5 GGBDMO CN(C(=O)CNC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000118986842 1413290678 /nfs/dbraw/zinc/29/06/78/1413290678.db2.gz DDJZYMRAWLGERR-UHFFFAOYSA-N 1 1 384.480 3.058 20 5 GGBDMO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177393111 1428716708 /nfs/dbraw/zinc/71/67/08/1428716708.db2.gz ZFOKFTBWAUUBBF-AWEZNQCLSA-N 1 1 379.420 3.485 20 5 GGBDMO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177393111 1428716712 /nfs/dbraw/zinc/71/67/12/1428716712.db2.gz ZFOKFTBWAUUBBF-AWEZNQCLSA-N 1 1 379.420 3.485 20 5 GGBDMO COc1ccc(-c2ccc(C[N@@H+]3CCCN(C(=O)C4CC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000119049531 1413316967 /nfs/dbraw/zinc/31/69/67/1413316967.db2.gz LULZBDQFDLVPEX-UHFFFAOYSA-N 1 1 399.447 3.308 20 5 GGBDMO COc1ccc(-c2ccc(C[N@H+]3CCCN(C(=O)C4CC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000119049531 1413316978 /nfs/dbraw/zinc/31/69/78/1413316978.db2.gz LULZBDQFDLVPEX-UHFFFAOYSA-N 1 1 399.447 3.308 20 5 GGBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000119057269 1413319563 /nfs/dbraw/zinc/31/95/63/1413319563.db2.gz WKWHUNXSSKOVLI-ZWKOTPCHSA-N 1 1 387.436 3.002 20 5 GGBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000119057657 1413319674 /nfs/dbraw/zinc/31/96/74/1413319674.db2.gz WKWHUNXSSKOVLI-MSOLQXFVSA-N 1 1 387.436 3.002 20 5 GGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000119347016 1413418930 /nfs/dbraw/zinc/41/89/30/1413418930.db2.gz IMHHUXNLSWYODA-RHSMWYFYSA-N 1 1 386.477 3.275 20 5 GGBDMO O=C1CCCCN1C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000119445745 1413449358 /nfs/dbraw/zinc/44/93/58/1413449358.db2.gz URWDUWSZRGQJKG-UHFFFAOYSA-N 1 1 384.436 3.227 20 5 GGBDMO Cc1c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000119570732 1413489162 /nfs/dbraw/zinc/48/91/62/1413489162.db2.gz UUYNGYRGNJHGQA-UGSOOPFHSA-N 1 1 398.419 3.062 20 5 GGBDMO CCN1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CC1 ZINC000119592337 1413496748 /nfs/dbraw/zinc/49/67/48/1413496748.db2.gz SRFPJDTVATYEJT-IBGZPJMESA-N 1 1 384.480 3.067 20 5 GGBDMO CCN1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CC1 ZINC000119592337 1413496753 /nfs/dbraw/zinc/49/67/53/1413496753.db2.gz SRFPJDTVATYEJT-IBGZPJMESA-N 1 1 384.480 3.067 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000119621612 1413506214 /nfs/dbraw/zinc/50/62/14/1413506214.db2.gz PCARQELEMPUYBO-UHFFFAOYSA-N 1 1 376.416 3.101 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000119657174 1413518644 /nfs/dbraw/zinc/51/86/44/1413518644.db2.gz WFLKUNMDTOCCLN-KUHUBIRLSA-N 1 1 387.867 3.427 20 5 GGBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000119672458 1413525621 /nfs/dbraw/zinc/52/56/21/1413525621.db2.gz DVACMOWYAQFTGZ-OAHLLOKOSA-N 1 1 388.493 3.097 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000119801312 1413574124 /nfs/dbraw/zinc/57/41/24/1413574124.db2.gz VMGSGXISGAYCCG-UHFFFAOYSA-N 1 1 397.475 3.002 20 5 GGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)ccc1Oc1ccccc1Cl ZINC000119891879 1413607333 /nfs/dbraw/zinc/60/73/33/1413607333.db2.gz ZUBMLUALTHRVDF-ZDUSSCGKSA-N 1 1 396.852 3.317 20 5 GGBDMO CC[N@H+](CCO)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000119928232 1413620214 /nfs/dbraw/zinc/62/02/14/1413620214.db2.gz ZZUOQMYKDOMVFJ-KRWDZBQOSA-N 1 1 377.828 3.242 20 5 GGBDMO CC[N@@H+](CCO)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000119928232 1413620218 /nfs/dbraw/zinc/62/02/18/1413620218.db2.gz ZZUOQMYKDOMVFJ-KRWDZBQOSA-N 1 1 377.828 3.242 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119963124 1413633925 /nfs/dbraw/zinc/63/39/25/1413633925.db2.gz NDJYQYVFTMQJKK-SUMWQHHRSA-N 1 1 398.419 3.062 20 5 GGBDMO O=C1CCCCN1CC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000119969700 1413636654 /nfs/dbraw/zinc/63/66/54/1413636654.db2.gz BRCJTPKWKURYDA-UHFFFAOYSA-N 1 1 398.463 3.474 20 5 GGBDMO Cc1c(CO)cc([N+](=O)[O-])c(NCCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000120021361 1413656474 /nfs/dbraw/zinc/65/64/74/1413656474.db2.gz JZLGRJFWIWWPJO-UHFFFAOYSA-N 1 1 388.424 3.238 20 5 GGBDMO Cn1cc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120046534 1413666447 /nfs/dbraw/zinc/66/64/47/1413666447.db2.gz IJEKOESVBPUOBE-UHFFFAOYSA-N 1 1 380.404 3.356 20 5 GGBDMO Cc1cccc(N2CCC(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)CC2)[nH+]1 ZINC000120299468 1413773441 /nfs/dbraw/zinc/77/34/41/1413773441.db2.gz JPVHWJAGQLUZRN-UHFFFAOYSA-N 1 1 395.463 3.035 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120419469 1413813624 /nfs/dbraw/zinc/81/36/24/1413813624.db2.gz KENPVHVYPQAQBX-UWJYYQICSA-N 1 1 396.491 3.347 20 5 GGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000120603073 1413852506 /nfs/dbraw/zinc/85/25/06/1413852506.db2.gz PRWZLCQXPFKMNJ-DLBZAZTESA-N 1 1 379.457 3.067 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000120637716 1413862035 /nfs/dbraw/zinc/86/20/35/1413862035.db2.gz PKCWRIJIKIXACK-UHFFFAOYSA-N 1 1 385.420 3.160 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000120637716 1413862038 /nfs/dbraw/zinc/86/20/38/1413862038.db2.gz PKCWRIJIKIXACK-UHFFFAOYSA-N 1 1 385.420 3.160 20 5 GGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000120650730 1413865714 /nfs/dbraw/zinc/86/57/14/1413865714.db2.gz COUBKAAXAZGODU-SJORKVTESA-N 1 1 377.441 3.028 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000120669769 1413870759 /nfs/dbraw/zinc/87/07/59/1413870759.db2.gz CCVVAGHVRQYLBJ-UHFFFAOYSA-N 1 1 384.436 3.158 20 5 GGBDMO CN(C(=O)C[NH+]1CCC(OCC2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177485611 1428762626 /nfs/dbraw/zinc/76/26/26/1428762626.db2.gz PHWFSMUORCPKRJ-UHFFFAOYSA-N 1 1 375.469 3.229 20 5 GGBDMO Cc1c(CC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000121041709 1413987123 /nfs/dbraw/zinc/98/71/23/1413987123.db2.gz CANFELLFBUTPAN-MRXNPFEDSA-N 1 1 383.448 3.478 20 5 GGBDMO CC(C)[C@H](CO)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000121100649 1414007580 /nfs/dbraw/zinc/00/75/80/1414007580.db2.gz OVCAURYTNFBGJX-FQEVSTJZSA-N 1 1 385.464 3.077 20 5 GGBDMO CC(C)[C@H](CO)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000121101731 1414008519 /nfs/dbraw/zinc/00/85/19/1414008519.db2.gz UAIKPTJGPZMXEV-NRFANRHFSA-N 1 1 397.475 3.003 20 5 GGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121119726 1414014582 /nfs/dbraw/zinc/01/45/82/1414014582.db2.gz SCELCBHKJOBAGF-GOEBONIOSA-N 1 1 387.484 3.227 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000121125553 1414016808 /nfs/dbraw/zinc/01/68/08/1414016808.db2.gz KLQYSQLAASECAH-FQEVSTJZSA-N 1 1 385.464 3.361 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000121125715 1414016858 /nfs/dbraw/zinc/01/68/58/1414016858.db2.gz KLQYSQLAASECAH-HXUWFJFHSA-N 1 1 385.464 3.361 20 5 GGBDMO Cc1nn(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121192024 1414039788 /nfs/dbraw/zinc/03/97/88/1414039788.db2.gz VRFHGIXDKJEODX-HNNXBMFYSA-N 1 1 387.484 3.085 20 5 GGBDMO Cc1nn(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121192024 1414039794 /nfs/dbraw/zinc/03/97/94/1414039794.db2.gz VRFHGIXDKJEODX-HNNXBMFYSA-N 1 1 387.484 3.085 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000121329782 1414085057 /nfs/dbraw/zinc/08/50/57/1414085057.db2.gz JRTXXKNYKFIJLD-OAQYLSRUSA-N 1 1 399.447 3.180 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000121329782 1414085061 /nfs/dbraw/zinc/08/50/61/1414085061.db2.gz JRTXXKNYKFIJLD-OAQYLSRUSA-N 1 1 399.447 3.180 20 5 GGBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)[nH+]c1 ZINC000177521644 1428780881 /nfs/dbraw/zinc/78/08/81/1428780881.db2.gz LNOARXDVGRWTAN-UHFFFAOYSA-N 1 1 383.452 3.130 20 5 GGBDMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121381968 1414102203 /nfs/dbraw/zinc/10/22/03/1414102203.db2.gz UCQBQKOWOMGCAH-IBGZPJMESA-N 1 1 379.460 3.392 20 5 GGBDMO O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121431532 1414120535 /nfs/dbraw/zinc/12/05/35/1414120535.db2.gz ZCRCLEVQLCKQHM-HXUWFJFHSA-N 1 1 383.423 3.283 20 5 GGBDMO O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121431532 1414120541 /nfs/dbraw/zinc/12/05/41/1414120541.db2.gz ZCRCLEVQLCKQHM-HXUWFJFHSA-N 1 1 383.423 3.283 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000121474120 1414140276 /nfs/dbraw/zinc/14/02/76/1414140276.db2.gz PNWWVMXGZWAPDB-DYVFJYSZSA-N 1 1 383.876 3.115 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000121580250 1414185714 /nfs/dbraw/zinc/18/57/14/1414185714.db2.gz JMQFBHRSXRLORJ-JXFKEZNVSA-N 1 1 383.448 3.287 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000121580250 1414185721 /nfs/dbraw/zinc/18/57/21/1414185721.db2.gz JMQFBHRSXRLORJ-JXFKEZNVSA-N 1 1 383.448 3.287 20 5 GGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000177532978 1428784082 /nfs/dbraw/zinc/78/40/82/1428784082.db2.gz FPRZUGREWPWMDL-DGCLKSJQSA-N 1 1 384.383 3.287 20 5 GGBDMO CCOc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OCC ZINC000122277099 1414409489 /nfs/dbraw/zinc/40/94/89/1414409489.db2.gz ULPZHJXVKXREDF-INIZCTEOSA-N 1 1 386.452 3.474 20 5 GGBDMO CC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177606614 1428809154 /nfs/dbraw/zinc/80/91/54/1428809154.db2.gz ZFDQPDQQIHPRKP-DLBZAZTESA-N 1 1 389.477 3.066 20 5 GGBDMO CC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177606614 1428809157 /nfs/dbraw/zinc/80/91/57/1428809157.db2.gz ZFDQPDQQIHPRKP-DLBZAZTESA-N 1 1 389.477 3.066 20 5 GGBDMO COC(=O)c1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000122414841 1414452235 /nfs/dbraw/zinc/45/22/35/1414452235.db2.gz JRKRFHNAWYWXCW-UHFFFAOYSA-N 1 1 398.419 3.315 20 5 GGBDMO COC(=O)c1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000122414841 1414452240 /nfs/dbraw/zinc/45/22/40/1414452240.db2.gz JRKRFHNAWYWXCW-UHFFFAOYSA-N 1 1 398.419 3.315 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000122791016 1414565761 /nfs/dbraw/zinc/56/57/61/1414565761.db2.gz OBSXHNGBJQWTMG-LBPRGKRZSA-N 1 1 390.465 3.233 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000122791016 1414565762 /nfs/dbraw/zinc/56/57/62/1414565762.db2.gz OBSXHNGBJQWTMG-LBPRGKRZSA-N 1 1 390.465 3.233 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)CC(F)(F)F ZINC000177638798 1428819613 /nfs/dbraw/zinc/81/96/13/1428819613.db2.gz SRWGKUHJMGDTDN-CYBMUJFWSA-N 1 1 385.390 3.108 20 5 GGBDMO COc1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000123062245 1414631508 /nfs/dbraw/zinc/63/15/08/1414631508.db2.gz OLMLDBPHVLRJBU-UHFFFAOYSA-N 1 1 399.447 3.006 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000123184753 1414663443 /nfs/dbraw/zinc/66/34/43/1414663443.db2.gz FLCUXLCTNHRIPC-IBGZPJMESA-N 1 1 382.464 3.425 20 5 GGBDMO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123682322 1414809037 /nfs/dbraw/zinc/80/90/37/1414809037.db2.gz HISVKQWGBPAPGR-UHFFFAOYSA-N 1 1 395.456 3.054 20 5 GGBDMO CC(C)c1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000123857778 1414836161 /nfs/dbraw/zinc/83/61/61/1414836161.db2.gz OGRWOYVKYIIUQK-UHFFFAOYSA-N 1 1 398.507 3.299 20 5 GGBDMO CCOC(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)OCC ZINC000124109097 1414887195 /nfs/dbraw/zinc/88/71/95/1414887195.db2.gz ZBRHFEYBVMVDRY-UHFFFAOYSA-N 1 1 391.390 3.135 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124299723 1414933055 /nfs/dbraw/zinc/93/30/55/1414933055.db2.gz UGFUSULSPFAFEM-KRWDZBQOSA-N 1 1 383.448 3.497 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000124353438 1414947229 /nfs/dbraw/zinc/94/72/29/1414947229.db2.gz ZIOILRQRPGEHJL-KRWDZBQOSA-N 1 1 388.512 3.293 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000124408304 1414960914 /nfs/dbraw/zinc/96/09/14/1414960914.db2.gz DDOOTMRCLMXSMV-CABCVRRESA-N 1 1 397.903 3.500 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000124408085 1414961123 /nfs/dbraw/zinc/96/11/23/1414961123.db2.gz DDOOTMRCLMXSMV-HUUCEWRRSA-N 1 1 397.903 3.500 20 5 GGBDMO CCc1cnc(C[N@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])s1 ZINC000177762478 1428852728 /nfs/dbraw/zinc/85/27/28/1428852728.db2.gz WWOPCFUADCXBRR-UHFFFAOYSA-N 1 1 378.454 3.083 20 5 GGBDMO CCc1cnc(C[N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])s1 ZINC000177762478 1428852729 /nfs/dbraw/zinc/85/27/29/1428852729.db2.gz WWOPCFUADCXBRR-UHFFFAOYSA-N 1 1 378.454 3.083 20 5 GGBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000124722535 1415029712 /nfs/dbraw/zinc/02/97/12/1415029712.db2.gz OKTCDQKFFNOLDT-HNNXBMFYSA-N 1 1 392.477 3.460 20 5 GGBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000124722535 1415029716 /nfs/dbraw/zinc/02/97/16/1415029716.db2.gz OKTCDQKFFNOLDT-HNNXBMFYSA-N 1 1 392.477 3.460 20 5 GGBDMO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124786783 1415043702 /nfs/dbraw/zinc/04/37/02/1415043702.db2.gz PRUPNLMUFLJKIT-PMACEKPBSA-N 1 1 388.512 3.004 20 5 GGBDMO NC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c([N+](=O)[O-])c1 ZINC000125057002 1415100643 /nfs/dbraw/zinc/10/06/43/1415100643.db2.gz RXGBUNNYLTVNJK-UHFFFAOYSA-N 1 1 391.374 3.015 20 5 GGBDMO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000125190291 1415127019 /nfs/dbraw/zinc/12/70/19/1415127019.db2.gz FQJPFINQEMXXEG-CQSZACIVSA-N 1 1 385.420 3.149 20 5 GGBDMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000125190291 1415127022 /nfs/dbraw/zinc/12/70/22/1415127022.db2.gz FQJPFINQEMXXEG-CQSZACIVSA-N 1 1 385.420 3.149 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000125308780 1415159306 /nfs/dbraw/zinc/15/93/06/1415159306.db2.gz PFFDHJCEUWIYKZ-BEFAXECRSA-N 1 1 387.480 3.357 20 5 GGBDMO CCCNC(=O)C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000125390166 1415184911 /nfs/dbraw/zinc/18/49/11/1415184911.db2.gz BDIHLAYGWNUFCV-UHFFFAOYSA-N 1 1 388.493 3.457 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000177842626 1428870262 /nfs/dbraw/zinc/87/02/62/1428870262.db2.gz WNADIIGQMNBXNK-PXNSSMCTSA-N 1 1 397.475 3.372 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000177842626 1428870267 /nfs/dbraw/zinc/87/02/67/1428870267.db2.gz WNADIIGQMNBXNK-PXNSSMCTSA-N 1 1 397.475 3.372 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000177842603 1428870330 /nfs/dbraw/zinc/87/03/30/1428870330.db2.gz WNADIIGQMNBXNK-FXAWDEMLSA-N 1 1 397.475 3.372 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000177842603 1428870331 /nfs/dbraw/zinc/87/03/31/1428870331.db2.gz WNADIIGQMNBXNK-FXAWDEMLSA-N 1 1 397.475 3.372 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000177842591 1428870408 /nfs/dbraw/zinc/87/04/08/1428870408.db2.gz WNADIIGQMNBXNK-YLJYHZDGSA-N 1 1 397.475 3.372 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000177842591 1428870411 /nfs/dbraw/zinc/87/04/11/1428870411.db2.gz WNADIIGQMNBXNK-YLJYHZDGSA-N 1 1 397.475 3.372 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000177876036 1428880013 /nfs/dbraw/zinc/88/00/13/1428880013.db2.gz VEMBYQHUYLSWCD-UTKZUKDTSA-N 1 1 396.491 3.069 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000177876021 1428880155 /nfs/dbraw/zinc/88/01/55/1428880155.db2.gz VEMBYQHUYLSWCD-LAUBAEHRSA-N 1 1 396.491 3.069 20 5 GGBDMO COc1ccc(CCC[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000125877659 1415303158 /nfs/dbraw/zinc/30/31/58/1415303158.db2.gz UHHJLKQBBODIKY-UHFFFAOYSA-N 1 1 383.448 3.057 20 5 GGBDMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000125898886 1415307816 /nfs/dbraw/zinc/30/78/16/1415307816.db2.gz DUDGRVCKYWTOII-AWEZNQCLSA-N 1 1 380.880 3.443 20 5 GGBDMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000125898886 1415307819 /nfs/dbraw/zinc/30/78/19/1415307819.db2.gz DUDGRVCKYWTOII-AWEZNQCLSA-N 1 1 380.880 3.443 20 5 GGBDMO Cn1c2ccccc2nc1[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000125958300 1415322357 /nfs/dbraw/zinc/32/23/57/1415322357.db2.gz KPYJBGJAZNWZDN-LJQANCHMSA-N 1 1 376.420 3.057 20 5 GGBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000126238749 1415391207 /nfs/dbraw/zinc/39/12/07/1415391207.db2.gz YOUCAAQONDFFDN-MRXNPFEDSA-N 1 1 399.495 3.181 20 5 GGBDMO Cc1c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126253243 1415395264 /nfs/dbraw/zinc/39/52/64/1415395264.db2.gz OYJLJXLBFAKCKN-ZDUSSCGKSA-N 1 1 392.456 3.362 20 5 GGBDMO O=C(Cc1cccc(F)c1)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178031372 1428945741 /nfs/dbraw/zinc/94/57/41/1428945741.db2.gz JUBONDXNWXNUGH-UHFFFAOYSA-N 1 1 385.439 3.053 20 5 GGBDMO COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000178054227 1428957897 /nfs/dbraw/zinc/95/78/97/1428957897.db2.gz OWKWVQMHTXSSDS-KRWDZBQOSA-N 1 1 383.448 3.245 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000178062099 1428963749 /nfs/dbraw/zinc/96/37/49/1428963749.db2.gz ZJHAYFJCMJHQMZ-KRWDZBQOSA-N 1 1 383.448 3.116 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000127837276 1415860499 /nfs/dbraw/zinc/86/04/99/1415860499.db2.gz IHLRNZZKSZBXRD-BFYDXBDKSA-N 1 1 390.484 3.317 20 5 GGBDMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000178207106 1429018940 /nfs/dbraw/zinc/01/89/40/1429018940.db2.gz LLRSIYXEQRHBRO-LLVKDONJSA-N 1 1 377.372 3.040 20 5 GGBDMO O=C(CC[N@H+]1CCCN(c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128338879 1415965813 /nfs/dbraw/zinc/96/58/13/1415965813.db2.gz VMSXZGWTFXSUJD-UHFFFAOYSA-N 1 1 386.427 3.275 20 5 GGBDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000178233289 1429025562 /nfs/dbraw/zinc/02/55/62/1429025562.db2.gz OBESSMBQKAEETM-OKILXGFUSA-N 1 1 381.498 3.008 20 5 GGBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000128657720 1416035049 /nfs/dbraw/zinc/03/50/49/1416035049.db2.gz UIPKHIXUDQLHND-OAHLLOKOSA-N 1 1 385.420 3.215 20 5 GGBDMO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000128714830 1416050074 /nfs/dbraw/zinc/05/00/74/1416050074.db2.gz ZGLNXBWOSDZTII-LJQANCHMSA-N 1 1 387.411 3.444 20 5 GGBDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000128714830 1416050077 /nfs/dbraw/zinc/05/00/77/1416050077.db2.gz ZGLNXBWOSDZTII-LJQANCHMSA-N 1 1 387.411 3.444 20 5 GGBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000128727140 1416052808 /nfs/dbraw/zinc/05/28/08/1416052808.db2.gz NZRKPSJBEGBNKY-AWEZNQCLSA-N 1 1 375.812 3.000 20 5 GGBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000128727140 1416052816 /nfs/dbraw/zinc/05/28/16/1416052816.db2.gz NZRKPSJBEGBNKY-AWEZNQCLSA-N 1 1 375.812 3.000 20 5 GGBDMO C[N@@H+](CCOCc1ccccc1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128888017 1416093144 /nfs/dbraw/zinc/09/31/44/1416093144.db2.gz CELCWAPSAJVIPM-UHFFFAOYSA-N 1 1 375.400 3.211 20 5 GGBDMO CC1CC[NH+](C2CCC(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000128967888 1416115937 /nfs/dbraw/zinc/11/59/37/1416115937.db2.gz IVTKKBKMKGWOHR-UHFFFAOYSA-N 1 1 385.468 3.244 20 5 GGBDMO O=C(CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129396895 1416203060 /nfs/dbraw/zinc/20/30/60/1416203060.db2.gz MCCKWNJWLTXSKL-OAQYLSRUSA-N 1 1 399.422 3.236 20 5 GGBDMO O=C(CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129396895 1416203065 /nfs/dbraw/zinc/20/30/65/1416203065.db2.gz MCCKWNJWLTXSKL-OAQYLSRUSA-N 1 1 399.422 3.236 20 5 GGBDMO C[C@@H](c1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000129477609 1416216084 /nfs/dbraw/zinc/21/60/84/1416216084.db2.gz MCAPSPWCXPHMIZ-INIZCTEOSA-N 1 1 398.463 3.352 20 5 GGBDMO O=c1cc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c2c(ccc3ccccc32)o1 ZINC000129509615 1416220593 /nfs/dbraw/zinc/22/05/93/1416220593.db2.gz YFXCSQKTDLBDKG-KRWDZBQOSA-N 1 1 378.472 3.100 20 5 GGBDMO C[C@@H]1C[N@H+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000129642099 1416241900 /nfs/dbraw/zinc/24/19/00/1416241900.db2.gz PSQWJTXFDPPJOI-BETUJISGSA-N 1 1 384.864 3.259 20 5 GGBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000129684683 1416248053 /nfs/dbraw/zinc/24/80/53/1416248053.db2.gz JTXPFWLWLDXUEJ-INIZCTEOSA-N 1 1 395.419 3.392 20 5 GGBDMO CCC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129934731 1416287816 /nfs/dbraw/zinc/28/78/16/1416287816.db2.gz ZKHZZMXELQNKAN-SFHVURJKSA-N 1 1 391.493 3.476 20 5 GGBDMO C[N@H+](CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000129984216 1416296351 /nfs/dbraw/zinc/29/63/51/1416296351.db2.gz FTROLYQKHFKJOZ-BEFAXECRSA-N 1 1 387.461 3.060 20 5 GGBDMO C[N@@H+](CC(=O)O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000129984216 1416296358 /nfs/dbraw/zinc/29/63/58/1416296358.db2.gz FTROLYQKHFKJOZ-BEFAXECRSA-N 1 1 387.461 3.060 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(C4OCCO4)CC3)cs2)c1 ZINC000130046514 1416308193 /nfs/dbraw/zinc/30/81/93/1416308193.db2.gz YVCDPVXKDWDZJL-UHFFFAOYSA-N 1 1 375.450 3.303 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000130702117 1416428899 /nfs/dbraw/zinc/42/88/99/1416428899.db2.gz WHFAVFIWBKKKRQ-UHFFFAOYSA-N 1 1 399.495 3.498 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130755004 1416442722 /nfs/dbraw/zinc/44/27/22/1416442722.db2.gz ZNYWVIPORPFPCP-LBPRGKRZSA-N 1 1 380.832 3.069 20 5 GGBDMO Cc1ccc(NC(=O)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1 ZINC000131011293 1416496120 /nfs/dbraw/zinc/49/61/20/1416496120.db2.gz SHZJAPMAFZSINF-LJQANCHMSA-N 1 1 379.420 3.069 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000131310323 1416538346 /nfs/dbraw/zinc/53/83/46/1416538346.db2.gz SEVNCDGDIHZNBR-CYBMUJFWSA-N 1 1 391.390 3.118 20 5 GGBDMO CCN1CCC[C@@H]1C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000131310323 1416538349 /nfs/dbraw/zinc/53/83/49/1416538349.db2.gz SEVNCDGDIHZNBR-CYBMUJFWSA-N 1 1 391.390 3.118 20 5 GGBDMO CN(C)C[C@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000131423579 1416555626 /nfs/dbraw/zinc/55/56/26/1416555626.db2.gz GNHSVICYKCMVTL-LJQANCHMSA-N 1 1 393.871 3.443 20 5 GGBDMO CN(C)C[C@@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000131423772 1416555777 /nfs/dbraw/zinc/55/57/77/1416555777.db2.gz GNHSVICYKCMVTL-IBGZPJMESA-N 1 1 393.871 3.443 20 5 GGBDMO CCOc1cc2c(cc1OCC)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000178567689 1429108993 /nfs/dbraw/zinc/10/89/93/1429108993.db2.gz YIINSVOTWZQGKK-IBGZPJMESA-N 1 1 386.448 3.484 20 5 GGBDMO CCOc1cc2c(cc1OCC)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000178567689 1429109002 /nfs/dbraw/zinc/10/90/02/1429109002.db2.gz YIINSVOTWZQGKK-IBGZPJMESA-N 1 1 386.448 3.484 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131600406 1416582973 /nfs/dbraw/zinc/58/29/73/1416582973.db2.gz BEFIFGZSCWYAIS-MRXNPFEDSA-N 1 1 378.469 3.400 20 5 GGBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000131638089 1416588305 /nfs/dbraw/zinc/58/83/05/1416588305.db2.gz KCCPKIUIBRYNJD-UHFFFAOYSA-N 1 1 390.440 3.231 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000131904217 1416646877 /nfs/dbraw/zinc/64/68/77/1416646877.db2.gz GIULJALWOLKZKR-GOSISDBHSA-N 1 1 397.475 3.487 20 5 GGBDMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000131924937 1416652087 /nfs/dbraw/zinc/65/20/87/1416652087.db2.gz PLNIZKKNNFMOKJ-INIZCTEOSA-N 1 1 383.448 3.340 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000131984316 1416666875 /nfs/dbraw/zinc/66/68/75/1416666875.db2.gz KBJNFOCAHPAAFD-INIZCTEOSA-N 1 1 383.448 3.340 20 5 GGBDMO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000132015130 1416674309 /nfs/dbraw/zinc/67/43/09/1416674309.db2.gz CREIAWFXPGRVPM-HNNXBMFYSA-N 1 1 385.468 3.055 20 5 GGBDMO COc1cc(OC)c(OC)cc1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000132029587 1416677487 /nfs/dbraw/zinc/67/74/87/1416677487.db2.gz RAJDFMKIJTZOBA-UHFFFAOYSA-N 1 1 392.456 3.118 20 5 GGBDMO Cc1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132308649 1416733084 /nfs/dbraw/zinc/73/30/84/1416733084.db2.gz NOPSMAMRXRHENI-LBPRGKRZSA-N 1 1 378.429 3.114 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000132455367 1416763892 /nfs/dbraw/zinc/76/38/92/1416763892.db2.gz DDPXQBODOJIPEV-HNNXBMFYSA-N 1 1 385.420 3.085 20 5 GGBDMO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000132500656 1416773649 /nfs/dbraw/zinc/77/36/49/1416773649.db2.gz WXCMTIWGSDNTLC-SJLPKXTDSA-N 1 1 399.495 3.038 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000132533179 1416779911 /nfs/dbraw/zinc/77/99/11/1416779911.db2.gz IZFBVTAXOQNEBU-QUCCMNQESA-N 1 1 385.464 3.125 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000132532959 1416780246 /nfs/dbraw/zinc/78/02/46/1416780246.db2.gz IZFBVTAXOQNEBU-UYAOXDASSA-N 1 1 385.464 3.125 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132580022 1416787756 /nfs/dbraw/zinc/78/77/56/1416787756.db2.gz JURUBEWGJKLNND-CQSZACIVSA-N 1 1 398.246 3.217 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132580254 1416787842 /nfs/dbraw/zinc/78/78/42/1416787842.db2.gz JURUBEWGJKLNND-AWEZNQCLSA-N 1 1 398.246 3.217 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CO[C@H]1CCCc3ccccc31)CC2 ZINC000132589912 1416789489 /nfs/dbraw/zinc/78/94/89/1416789489.db2.gz FQAQVUJAADGVLD-IRLDBZIGSA-N 1 1 382.460 3.408 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CO[C@H]1CCCc3ccccc31)CC2 ZINC000132589912 1416789491 /nfs/dbraw/zinc/78/94/91/1416789491.db2.gz FQAQVUJAADGVLD-IRLDBZIGSA-N 1 1 382.460 3.408 20 5 GGBDMO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178654510 1429130024 /nfs/dbraw/zinc/13/00/24/1429130024.db2.gz XBZXIEMAZUEGKN-UZLBHIALSA-N 1 1 396.491 3.143 20 5 GGBDMO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178654510 1429130027 /nfs/dbraw/zinc/13/00/27/1429130027.db2.gz XBZXIEMAZUEGKN-UZLBHIALSA-N 1 1 396.491 3.143 20 5 GGBDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000132977422 1416837903 /nfs/dbraw/zinc/83/79/03/1416837903.db2.gz MXNOJVLIINIBQD-GOSISDBHSA-N 1 1 399.447 3.239 20 5 GGBDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000132977422 1416837907 /nfs/dbraw/zinc/83/79/07/1416837907.db2.gz MXNOJVLIINIBQD-GOSISDBHSA-N 1 1 399.447 3.239 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])CC1 ZINC000133406789 1416886817 /nfs/dbraw/zinc/88/68/17/1416886817.db2.gz LYJIISAIYUBDKH-UHFFFAOYSA-N 1 1 378.473 3.115 20 5 GGBDMO CCOC(=O)c1ccnc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000134147699 1417029249 /nfs/dbraw/zinc/02/92/49/1417029249.db2.gz DUVVUMIIHOUNOR-QGZVFWFLSA-N 1 1 398.463 3.143 20 5 GGBDMO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000134340157 1417057503 /nfs/dbraw/zinc/05/75/03/1417057503.db2.gz OQVIKSMQVQOYMA-UHFFFAOYSA-N 1 1 383.448 3.001 20 5 GGBDMO CC[C@H](O)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000134473003 1417074554 /nfs/dbraw/zinc/07/45/54/1417074554.db2.gz UWKNZUQSPOCCEC-SFHVURJKSA-N 1 1 382.420 3.418 20 5 GGBDMO CC[C@H](O)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000134473003 1417074558 /nfs/dbraw/zinc/07/45/58/1417074558.db2.gz UWKNZUQSPOCCEC-SFHVURJKSA-N 1 1 382.420 3.418 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000134500466 1417077521 /nfs/dbraw/zinc/07/75/21/1417077521.db2.gz WRZXGUGWABTPOU-INIZCTEOSA-N 1 1 377.828 3.290 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134621455 1417098780 /nfs/dbraw/zinc/09/87/80/1417098780.db2.gz GXWOFIWLEGSCEB-UKRRQHHQSA-N 1 1 379.457 3.481 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134621455 1417098787 /nfs/dbraw/zinc/09/87/87/1417098787.db2.gz GXWOFIWLEGSCEB-UKRRQHHQSA-N 1 1 379.457 3.481 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134621501 1417099192 /nfs/dbraw/zinc/09/91/92/1417099192.db2.gz GXWOFIWLEGSCEB-HIFRSBDPSA-N 1 1 379.457 3.481 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134621501 1417099194 /nfs/dbraw/zinc/09/91/94/1417099194.db2.gz GXWOFIWLEGSCEB-HIFRSBDPSA-N 1 1 379.457 3.481 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000134651676 1417106227 /nfs/dbraw/zinc/10/62/27/1417106227.db2.gz HQZVNJPTXPUBPK-CABCVRRESA-N 1 1 379.457 3.351 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)c1 ZINC000134878597 1417138582 /nfs/dbraw/zinc/13/85/82/1417138582.db2.gz QIRHBGCUCKRKCF-CRAIPNDOSA-N 1 1 383.452 3.094 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134890010 1417140628 /nfs/dbraw/zinc/14/06/28/1417140628.db2.gz JOSJGTVTQDXKFQ-RZQQEMMASA-N 1 1 386.496 3.179 20 5 GGBDMO CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000135194248 1417184781 /nfs/dbraw/zinc/18/47/81/1417184781.db2.gz LAAKVPQDPPUTPX-KRWDZBQOSA-N 1 1 384.436 3.241 20 5 GGBDMO O=[N+]([O-])c1ccc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)c(Cl)c1 ZINC000135452770 1417221700 /nfs/dbraw/zinc/22/17/00/1417221700.db2.gz SSGGHXUVUODRLK-UHFFFAOYSA-N 1 1 390.871 3.372 20 5 GGBDMO CN(C)Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000136071028 1417289637 /nfs/dbraw/zinc/28/96/37/1417289637.db2.gz JURAUKLSVKJYSD-UHFFFAOYSA-N 1 1 397.454 3.486 20 5 GGBDMO COc1ccccc1[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000136117341 1417293626 /nfs/dbraw/zinc/29/36/26/1417293626.db2.gz LUBLFPPVPGZXPG-OAHLLOKOSA-N 1 1 377.828 3.290 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178808256 1429176940 /nfs/dbraw/zinc/17/69/40/1429176940.db2.gz LPTFDKFPBNMLOE-HHHXNRCGSA-N 1 1 389.477 3.101 20 5 GGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000136897877 1417353479 /nfs/dbraw/zinc/35/34/79/1417353479.db2.gz KIPHGEHIQBLARA-FQEVSTJZSA-N 1 1 389.883 3.490 20 5 GGBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000136897877 1417353498 /nfs/dbraw/zinc/35/34/98/1417353498.db2.gz KIPHGEHIQBLARA-FQEVSTJZSA-N 1 1 389.883 3.490 20 5 GGBDMO COc1ccccc1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000136932833 1417355906 /nfs/dbraw/zinc/35/59/06/1417355906.db2.gz YDSFJLPYPDKWKZ-UXHICEINSA-N 1 1 386.448 3.318 20 5 GGBDMO COc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000137458362 1417387324 /nfs/dbraw/zinc/38/73/24/1417387324.db2.gz AKAXIQVAFWKAQI-GDBMZVCRSA-N 1 1 399.447 3.005 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)nc3)C2)nc1 ZINC000137512514 1417389460 /nfs/dbraw/zinc/38/94/60/1417389460.db2.gz NQGPPKZSKRVDPZ-CYBMUJFWSA-N 1 1 397.357 3.012 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)nc3)C2)nc1 ZINC000137512514 1417389464 /nfs/dbraw/zinc/38/94/64/1417389464.db2.gz NQGPPKZSKRVDPZ-CYBMUJFWSA-N 1 1 397.357 3.012 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000138464262 1417418104 /nfs/dbraw/zinc/41/81/04/1417418104.db2.gz MAGPVLQIJFUWGE-MGPUTAFESA-N 1 1 399.447 3.394 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000138464262 1417418118 /nfs/dbraw/zinc/41/81/18/1417418118.db2.gz MAGPVLQIJFUWGE-MGPUTAFESA-N 1 1 399.447 3.394 20 5 GGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000138481179 1417419655 /nfs/dbraw/zinc/41/96/55/1417419655.db2.gz MAGGICIMLFLOHE-AWEZNQCLSA-N 1 1 391.855 3.264 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000140041554 1417485968 /nfs/dbraw/zinc/48/59/68/1417485968.db2.gz RPWUCZZVGLLMJU-CYBMUJFWSA-N 1 1 399.476 3.175 20 5 GGBDMO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000140041554 1417485974 /nfs/dbraw/zinc/48/59/74/1417485974.db2.gz RPWUCZZVGLLMJU-CYBMUJFWSA-N 1 1 399.476 3.175 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000140041554 1417485978 /nfs/dbraw/zinc/48/59/78/1417485978.db2.gz RPWUCZZVGLLMJU-CYBMUJFWSA-N 1 1 399.476 3.175 20 5 GGBDMO CNc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140218446 1417492449 /nfs/dbraw/zinc/49/24/49/1417492449.db2.gz QQCCSTAUXHPHBO-CQSZACIVSA-N 1 1 388.493 3.340 20 5 GGBDMO CC(C)[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000140793774 1417517117 /nfs/dbraw/zinc/51/71/17/1417517117.db2.gz SKEKHQAAZPDXHI-LJQANCHMSA-N 1 1 383.448 3.445 20 5 GGBDMO CC(C)[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000140793774 1417517121 /nfs/dbraw/zinc/51/71/21/1417517121.db2.gz SKEKHQAAZPDXHI-LJQANCHMSA-N 1 1 383.448 3.445 20 5 GGBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000142078080 1417571568 /nfs/dbraw/zinc/57/15/68/1417571568.db2.gz OCLVGELFPGLMFB-SFHVURJKSA-N 1 1 386.496 3.141 20 5 GGBDMO CC1CCN(c2ccc(C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000142340378 1417584719 /nfs/dbraw/zinc/58/47/19/1417584719.db2.gz LTIHNZMUMMKJTO-GOSISDBHSA-N 1 1 386.496 3.141 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000144435267 1417662342 /nfs/dbraw/zinc/66/23/42/1417662342.db2.gz DTXNAQUEMUKWIY-UHFFFAOYSA-N 1 1 384.367 3.167 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000150756872 1417800493 /nfs/dbraw/zinc/80/04/93/1417800493.db2.gz ZMLOZGJVGPOWBL-UHFFFAOYSA-N 1 1 377.460 3.391 20 5 GGBDMO CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151477086 1417991515 /nfs/dbraw/zinc/99/15/15/1417991515.db2.gz OZEXHALZQYKGEU-FPOVZHCZSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151477086 1417991535 /nfs/dbraw/zinc/99/15/35/1417991535.db2.gz OZEXHALZQYKGEU-FPOVZHCZSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151479145 1417992392 /nfs/dbraw/zinc/99/23/92/1417992392.db2.gz MXIZXESFVGQEEE-PMACEKPBSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151479145 1417992399 /nfs/dbraw/zinc/99/23/99/1417992399.db2.gz MXIZXESFVGQEEE-PMACEKPBSA-N 1 1 397.475 3.313 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)n2)cc1 ZINC000151740936 1418075674 /nfs/dbraw/zinc/07/56/74/1418075674.db2.gz WYLBEQOTSZQTSM-JKSUJKDBSA-N 1 1 384.392 3.326 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)n2)cc1 ZINC000151740936 1418075683 /nfs/dbraw/zinc/07/56/83/1418075683.db2.gz WYLBEQOTSZQTSM-JKSUJKDBSA-N 1 1 384.392 3.326 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151790319 1418087144 /nfs/dbraw/zinc/08/71/44/1418087144.db2.gz DXCBTRWPUJMLNE-QAPCUYQASA-N 1 1 387.436 3.413 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)n2)c1 ZINC000152284880 1418195157 /nfs/dbraw/zinc/19/51/57/1418195157.db2.gz GFHAOQDZLCAXSO-CQSZACIVSA-N 1 1 395.423 3.020 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)n2)c1 ZINC000152284880 1418195162 /nfs/dbraw/zinc/19/51/62/1418195162.db2.gz GFHAOQDZLCAXSO-CQSZACIVSA-N 1 1 395.423 3.020 20 5 GGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000179253110 1429305934 /nfs/dbraw/zinc/30/59/34/1429305934.db2.gz GLPHPKMBRVUFQE-SUMWQHHRSA-N 1 1 375.812 3.307 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000179246054 1429303706 /nfs/dbraw/zinc/30/37/06/1429303706.db2.gz CWFCJHKSYUMLIN-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000179246054 1429303712 /nfs/dbraw/zinc/30/37/12/1429303712.db2.gz CWFCJHKSYUMLIN-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000179246062 1429303875 /nfs/dbraw/zinc/30/38/75/1429303875.db2.gz CWFCJHKSYUMLIN-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000179246062 1429303883 /nfs/dbraw/zinc/30/38/83/1429303883.db2.gz CWFCJHKSYUMLIN-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)o2)cc1 ZINC000179514216 1429404092 /nfs/dbraw/zinc/40/40/92/1429404092.db2.gz JOAOSDIILWHAOV-AWEZNQCLSA-N 1 1 395.423 3.020 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)o2)cc1 ZINC000179514216 1429404096 /nfs/dbraw/zinc/40/40/96/1429404096.db2.gz JOAOSDIILWHAOV-AWEZNQCLSA-N 1 1 395.423 3.020 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)n2)cc1 ZINC000179508672 1429401471 /nfs/dbraw/zinc/40/14/71/1429401471.db2.gz NHQNXSJBNLTVEV-AWEZNQCLSA-N 1 1 395.423 3.020 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)n2)cc1 ZINC000179508672 1429401477 /nfs/dbraw/zinc/40/14/77/1429401477.db2.gz NHQNXSJBNLTVEV-AWEZNQCLSA-N 1 1 395.423 3.020 20 5 GGBDMO Cc1nn(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179543637 1429420434 /nfs/dbraw/zinc/42/04/34/1429420434.db2.gz CNQGUJAPBVJJGJ-OAHLLOKOSA-N 1 1 399.495 3.181 20 5 GGBDMO Cc1nn(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179546057 1429423427 /nfs/dbraw/zinc/42/34/27/1429423427.db2.gz NCGSSSZWJPQEFT-AWEZNQCLSA-N 1 1 389.456 3.057 20 5 GGBDMO Cc1nn(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179546057 1429423431 /nfs/dbraw/zinc/42/34/31/1429423431.db2.gz NCGSSSZWJPQEFT-AWEZNQCLSA-N 1 1 389.456 3.057 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1CCc2sccc2C1 ZINC000179581379 1429451038 /nfs/dbraw/zinc/45/10/38/1429451038.db2.gz TUEMPYIBQZOSDE-ZDUSSCGKSA-N 1 1 396.472 3.381 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@H+]1CCc2sccc2C1 ZINC000179581379 1429451047 /nfs/dbraw/zinc/45/10/47/1429451047.db2.gz TUEMPYIBQZOSDE-ZDUSSCGKSA-N 1 1 396.472 3.381 20 5 GGBDMO C[C@@H](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000179601094 1429464848 /nfs/dbraw/zinc/46/48/48/1429464848.db2.gz VWWWGJSEBKTGCC-ZDUSSCGKSA-N 1 1 397.522 3.382 20 5 GGBDMO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179655722 1429493194 /nfs/dbraw/zinc/49/31/94/1429493194.db2.gz JXTDGXNZYYLVMW-CYBMUJFWSA-N 1 1 387.411 3.242 20 5 GGBDMO COc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000179744876 1429533817 /nfs/dbraw/zinc/53/38/17/1429533817.db2.gz FJQMGLVJXRTABQ-UHFFFAOYSA-N 1 1 399.447 3.463 20 5 GGBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000152511928 1422126408 /nfs/dbraw/zinc/12/64/08/1422126408.db2.gz LYCHQLJDDNAEKZ-YOEHRIQHSA-N 1 1 391.493 3.363 20 5 GGBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000152511841 1422126435 /nfs/dbraw/zinc/12/64/35/1422126435.db2.gz LYCHQLJDDNAEKZ-WMLDXEAASA-N 1 1 391.493 3.363 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000152623081 1422173072 /nfs/dbraw/zinc/17/30/72/1422173072.db2.gz TVMLHZCFJMPHJM-SFHVURJKSA-N 1 1 392.459 3.399 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000179754693 1429540492 /nfs/dbraw/zinc/54/04/92/1429540492.db2.gz PVYUALXNKSOABD-INIZCTEOSA-N 1 1 389.477 3.489 20 5 GGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000152769777 1422242277 /nfs/dbraw/zinc/24/22/77/1422242277.db2.gz GIJFSSGNWWKRJO-UHFFFAOYSA-N 1 1 389.452 3.318 20 5 GGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000152840180 1422267006 /nfs/dbraw/zinc/26/70/06/1422267006.db2.gz POIPFZCDDFYIMV-OAHLLOKOSA-N 1 1 386.452 3.076 20 5 GGBDMO O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000152973947 1422312661 /nfs/dbraw/zinc/31/26/61/1422312661.db2.gz BWLYGBKVEQLXDS-HNNXBMFYSA-N 1 1 381.392 3.084 20 5 GGBDMO CC1CCC([N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]2CCCO2)CC1 ZINC000152977197 1422314277 /nfs/dbraw/zinc/31/42/77/1422314277.db2.gz FXZMCBOZCGZJBO-UYJHFMRCSA-N 1 1 375.469 3.253 20 5 GGBDMO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000153019163 1422329193 /nfs/dbraw/zinc/32/91/93/1422329193.db2.gz KWMMSOBTVZEEKR-QGZVFWFLSA-N 1 1 391.431 3.491 20 5 GGBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000179766438 1429548685 /nfs/dbraw/zinc/54/86/85/1429548685.db2.gz AIEYNMALILNUEP-UHFFFAOYSA-N 1 1 377.488 3.307 20 5 GGBDMO CC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cc(F)ccc1F ZINC000179770330 1429551881 /nfs/dbraw/zinc/55/18/81/1429551881.db2.gz HPCWNECRILFCDT-ZDUSSCGKSA-N 1 1 393.346 3.281 20 5 GGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153228490 1422403386 /nfs/dbraw/zinc/40/33/86/1422403386.db2.gz GWHCSKXKHKOVLM-CQSZACIVSA-N 1 1 399.451 3.183 20 5 GGBDMO CSc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153357675 1422490195 /nfs/dbraw/zinc/49/01/95/1422490195.db2.gz KGNKXMGYQWEWSB-GOEBONIOSA-N 1 1 375.494 3.406 20 5 GGBDMO CC[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CC(F)F ZINC000153516409 1422579825 /nfs/dbraw/zinc/57/98/25/1422579825.db2.gz QVDVHQLEEHQHFI-HNNXBMFYSA-N 1 1 394.422 3.454 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](CCO)C2CC2)cc1 ZINC000153630654 1422659756 /nfs/dbraw/zinc/65/97/56/1422659756.db2.gz XZQMPGVZGDBPGP-UHFFFAOYSA-N 1 1 378.432 3.404 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000153664428 1422688733 /nfs/dbraw/zinc/68/87/33/1422688733.db2.gz VFBDYMKWPGSBKH-CALCHBBNSA-N 1 1 388.512 3.421 20 5 GGBDMO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153739723 1422731181 /nfs/dbraw/zinc/73/11/81/1422731181.db2.gz LRZVFMLFHIEXFV-UHFFFAOYSA-N 1 1 397.903 3.392 20 5 GGBDMO Cc1cc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000153749822 1422736973 /nfs/dbraw/zinc/73/69/73/1422736973.db2.gz VHXAONHORWHCMU-UHFFFAOYSA-N 1 1 384.436 3.057 20 5 GGBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1nc2ccccc2o1 ZINC000153771261 1422748479 /nfs/dbraw/zinc/74/84/79/1422748479.db2.gz RZKQTOHJNQUFLQ-UHFFFAOYSA-N 1 1 382.376 3.166 20 5 GGBDMO C[C@H](Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000153936903 1422813657 /nfs/dbraw/zinc/81/36/57/1422813657.db2.gz BUOOGIIYFPVKOF-DOTOQJQBSA-N 1 1 397.479 3.329 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+](CC(=O)OC(C)(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000154015321 1422825979 /nfs/dbraw/zinc/82/59/79/1422825979.db2.gz VQBNDQMMHJJOFF-UHFFFAOYSA-N 1 1 379.457 3.284 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+](CC(=O)OC(C)(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000154015321 1422825980 /nfs/dbraw/zinc/82/59/80/1422825980.db2.gz VQBNDQMMHJJOFF-UHFFFAOYSA-N 1 1 379.457 3.284 20 5 GGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000154033003 1422829142 /nfs/dbraw/zinc/82/91/42/1422829142.db2.gz RWVWJASDTKKHJH-QZTJIDSGSA-N 1 1 391.468 3.212 20 5 GGBDMO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000154062676 1422834025 /nfs/dbraw/zinc/83/40/25/1422834025.db2.gz UCOZIJDFHMEOAO-PKOBYXMFSA-N 1 1 398.507 3.284 20 5 GGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000154084984 1422837993 /nfs/dbraw/zinc/83/79/93/1422837993.db2.gz JWURMVMERXTYLA-RDTXWAMCSA-N 1 1 375.494 3.162 20 5 GGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000154109480 1422841603 /nfs/dbraw/zinc/84/16/03/1422841603.db2.gz MQMQASGAMWSIKJ-QGZVFWFLSA-N 1 1 382.464 3.279 20 5 GGBDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000154206889 1422855285 /nfs/dbraw/zinc/85/52/85/1422855285.db2.gz MPEYGCNSPSCWBO-AWEZNQCLSA-N 1 1 387.436 3.461 20 5 GGBDMO COC(=O)CCn1nc(C)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C ZINC000154261045 1422863599 /nfs/dbraw/zinc/86/35/99/1422863599.db2.gz GQJYGOQSXSPWBX-UHFFFAOYSA-N 1 1 386.452 3.136 20 5 GGBDMO COC(=O)CCn1nc(C)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C ZINC000154261045 1422863600 /nfs/dbraw/zinc/86/36/00/1422863600.db2.gz GQJYGOQSXSPWBX-UHFFFAOYSA-N 1 1 386.452 3.136 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179820648 1429592795 /nfs/dbraw/zinc/59/27/95/1429592795.db2.gz QMGGRBXYLMRQLZ-QGZVFWFLSA-N 1 1 387.440 3.479 20 5 GGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000154429515 1422887731 /nfs/dbraw/zinc/88/77/31/1422887731.db2.gz ZIGLMIYXPXMUIE-UXHICEINSA-N 1 1 382.416 3.457 20 5 GGBDMO O=C(NC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000154482872 1422894970 /nfs/dbraw/zinc/89/49/70/1422894970.db2.gz IHLMQIXLSIQVBF-PMACEKPBSA-N 1 1 398.463 3.304 20 5 GGBDMO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000154564571 1422933579 /nfs/dbraw/zinc/93/35/79/1422933579.db2.gz LCMXZVHFKYTUFQ-UHFFFAOYSA-N 1 1 390.831 3.405 20 5 GGBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000154564571 1422933588 /nfs/dbraw/zinc/93/35/88/1422933588.db2.gz LCMXZVHFKYTUFQ-UHFFFAOYSA-N 1 1 390.831 3.405 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154618272 1422965264 /nfs/dbraw/zinc/96/52/64/1422965264.db2.gz CBQANILVZWXBEG-GOSISDBHSA-N 1 1 386.448 3.387 20 5 GGBDMO CNC(=O)CCC[N@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000154659982 1422990056 /nfs/dbraw/zinc/99/00/56/1422990056.db2.gz HFKPAFQDARQSAO-HXUWFJFHSA-N 1 1 398.463 3.041 20 5 GGBDMO CNC(=O)CCC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000154659982 1422990087 /nfs/dbraw/zinc/99/00/87/1422990087.db2.gz HFKPAFQDARQSAO-HXUWFJFHSA-N 1 1 398.463 3.041 20 5 GGBDMO O=C1N(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)CCN1c1ccccc1[N+](=O)[O-] ZINC000154782262 1423031462 /nfs/dbraw/zinc/03/14/62/1423031462.db2.gz MISZVVJITOFMBH-IRXDYDNUSA-N 1 1 376.482 3.154 20 5 GGBDMO O=C1N(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)CCN1c1ccccc1[N+](=O)[O-] ZINC000154782262 1423031472 /nfs/dbraw/zinc/03/14/72/1423031472.db2.gz MISZVVJITOFMBH-IRXDYDNUSA-N 1 1 376.482 3.154 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000154855978 1423056561 /nfs/dbraw/zinc/05/65/61/1423056561.db2.gz RYOICADHAZEILX-UHFFFAOYSA-N 1 1 378.473 3.197 20 5 GGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155157738 1423201996 /nfs/dbraw/zinc/20/19/96/1423201996.db2.gz IZMMNJQGLSGVMI-GFCCVEGCSA-N 1 1 399.289 3.457 20 5 GGBDMO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000155298013 1423306684 /nfs/dbraw/zinc/30/66/84/1423306684.db2.gz IURUSRYNHZUHCN-HNNXBMFYSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000155298013 1423306692 /nfs/dbraw/zinc/30/66/92/1423306692.db2.gz IURUSRYNHZUHCN-HNNXBMFYSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000155339441 1423323844 /nfs/dbraw/zinc/32/38/44/1423323844.db2.gz AEEXMABKEZXMQE-MRXNPFEDSA-N 1 1 399.447 3.430 20 5 GGBDMO O=c1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc2ccc(Cl)cn12 ZINC000155704532 1423496173 /nfs/dbraw/zinc/49/61/73/1423496173.db2.gz CLDBMKOVAVDWJM-UHFFFAOYSA-N 1 1 384.823 3.421 20 5 GGBDMO O=c1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc2ccc(Cl)cn12 ZINC000155704532 1423496189 /nfs/dbraw/zinc/49/61/89/1423496189.db2.gz CLDBMKOVAVDWJM-UHFFFAOYSA-N 1 1 384.823 3.421 20 5 GGBDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000155769982 1423527022 /nfs/dbraw/zinc/52/70/22/1423527022.db2.gz ZFCPUVDKCMRWEV-SMDDNHRTSA-N 1 1 376.413 3.276 20 5 GGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000155816498 1423546033 /nfs/dbraw/zinc/54/60/33/1423546033.db2.gz ZGSSBALNEFLDHO-INIZCTEOSA-N 1 1 381.436 3.286 20 5 GGBDMO CCC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCOC ZINC000155918922 1423594107 /nfs/dbraw/zinc/59/41/07/1423594107.db2.gz VHMDYXCVSPJVBP-AWEZNQCLSA-N 1 1 384.864 3.213 20 5 GGBDMO CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCOC ZINC000155918801 1423594299 /nfs/dbraw/zinc/59/42/99/1423594299.db2.gz VHMDYXCVSPJVBP-CQSZACIVSA-N 1 1 384.864 3.213 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155938506 1423602162 /nfs/dbraw/zinc/60/21/62/1423602162.db2.gz DOHDWUAJBWWKBK-HXUWFJFHSA-N 1 1 383.448 3.115 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](Cc3ccccc3)[C@@H](CO)C3CC3)o2)cc1 ZINC000156005900 1423630897 /nfs/dbraw/zinc/63/08/97/1423630897.db2.gz KSKTVPLBVPMISJ-IBGZPJMESA-N 1 1 394.431 3.418 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](Cc3ccccc3)[C@@H](CO)C3CC3)o2)cc1 ZINC000156005900 1423630905 /nfs/dbraw/zinc/63/09/05/1423630905.db2.gz KSKTVPLBVPMISJ-IBGZPJMESA-N 1 1 394.431 3.418 20 5 GGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179951413 1429659840 /nfs/dbraw/zinc/65/98/40/1429659840.db2.gz YOVLQRDSWFGWQH-CQSZACIVSA-N 1 1 395.362 3.356 20 5 GGBDMO CCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000156064005 1423657564 /nfs/dbraw/zinc/65/75/64/1423657564.db2.gz LYLPAEPBAZFQIX-SFHVURJKSA-N 1 1 399.495 3.154 20 5 GGBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156468084 1423813908 /nfs/dbraw/zinc/81/39/08/1423813908.db2.gz DRFNEDBVOIIORW-HNNXBMFYSA-N 1 1 398.463 3.146 20 5 GGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156468084 1423813914 /nfs/dbraw/zinc/81/39/14/1423813914.db2.gz DRFNEDBVOIIORW-HNNXBMFYSA-N 1 1 398.463 3.146 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000156475683 1423815044 /nfs/dbraw/zinc/81/50/44/1423815044.db2.gz WYQVTFFTEWBCGK-DOMZBBRYSA-N 1 1 396.394 3.484 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000156475683 1423815045 /nfs/dbraw/zinc/81/50/45/1423815045.db2.gz WYQVTFFTEWBCGK-DOMZBBRYSA-N 1 1 396.394 3.484 20 5 GGBDMO Nc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000156582108 1423832073 /nfs/dbraw/zinc/83/20/73/1423832073.db2.gz MCFQRRYDAMJVRS-MJGOQNOKSA-N 1 1 394.475 3.304 20 5 GGBDMO NC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000157156563 1423939724 /nfs/dbraw/zinc/93/97/24/1423939724.db2.gz FILAFOVVDSJYCX-ZDUSSCGKSA-N 1 1 375.812 3.348 20 5 GGBDMO NC(=O)c1ccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000157334250 1423987341 /nfs/dbraw/zinc/98/73/41/1423987341.db2.gz MDSLHOUKTOUTCG-UHFFFAOYSA-N 1 1 389.839 3.391 20 5 GGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)sc2C1 ZINC000180016321 1429693911 /nfs/dbraw/zinc/69/39/11/1429693911.db2.gz GZIFHHVWFAMNGP-UHFFFAOYSA-N 1 1 398.391 3.283 20 5 GGBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)sc2C1 ZINC000180016321 1429693919 /nfs/dbraw/zinc/69/39/19/1429693919.db2.gz GZIFHHVWFAMNGP-UHFFFAOYSA-N 1 1 398.391 3.283 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000157694364 1424065950 /nfs/dbraw/zinc/06/59/50/1424065950.db2.gz MLPCENQACUHHFT-QGZVFWFLSA-N 1 1 389.496 3.477 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000157694511 1424066201 /nfs/dbraw/zinc/06/62/01/1424066201.db2.gz MLPCENQACUHHFT-KRWDZBQOSA-N 1 1 389.496 3.477 20 5 GGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000157706352 1424069721 /nfs/dbraw/zinc/06/97/21/1424069721.db2.gz OUOCDLVOBBBSEY-OAHLLOKOSA-N 1 1 395.525 3.328 20 5 GGBDMO CCCc1n[nH]c(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000157714166 1424072024 /nfs/dbraw/zinc/07/20/24/1424072024.db2.gz SLRVQXNTOXYRKW-OAHLLOKOSA-N 1 1 391.516 3.387 20 5 GGBDMO CCCc1[nH]nc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000157714166 1424072029 /nfs/dbraw/zinc/07/20/29/1424072029.db2.gz SLRVQXNTOXYRKW-OAHLLOKOSA-N 1 1 391.516 3.387 20 5 GGBDMO CCCc1[nH]nc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000157714166 1424072036 /nfs/dbraw/zinc/07/20/36/1424072036.db2.gz SLRVQXNTOXYRKW-OAHLLOKOSA-N 1 1 391.516 3.387 20 5 GGBDMO COc1cccc([C@@H](O)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)c1 ZINC000157781848 1424087506 /nfs/dbraw/zinc/08/75/06/1424087506.db2.gz SCGJQMORUMWASH-FQEVSTJZSA-N 1 1 396.447 3.036 20 5 GGBDMO Cc1nn(CCC(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)c(C)c1[N+](=O)[O-] ZINC000158386007 1424242190 /nfs/dbraw/zinc/24/21/90/1424242190.db2.gz REWCEOSTJCTDCF-UHFFFAOYSA-N 1 1 385.468 3.409 20 5 GGBDMO COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000158508195 1424275447 /nfs/dbraw/zinc/27/54/47/1424275447.db2.gz BZHCNLFGVAOBSA-OCCSQVGLSA-N 1 1 385.411 3.121 20 5 GGBDMO CCC[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000159171167 1424434554 /nfs/dbraw/zinc/43/45/54/1424434554.db2.gz WVPLUFSDHSGWDO-FQEVSTJZSA-N 1 1 383.496 3.373 20 5 GGBDMO Cn1cc([C@]2(C)C[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)cn1 ZINC000159315426 1424482575 /nfs/dbraw/zinc/48/25/75/1424482575.db2.gz JAZVWNZTMVQVRO-QHCPKHFHSA-N 1 1 389.455 3.427 20 5 GGBDMO Cn1cc([C@]2(C)C[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCO2)cn1 ZINC000159315426 1424482578 /nfs/dbraw/zinc/48/25/78/1424482578.db2.gz JAZVWNZTMVQVRO-QHCPKHFHSA-N 1 1 389.455 3.427 20 5 GGBDMO C[C@H](O)C[N@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000159511647 1424509042 /nfs/dbraw/zinc/50/90/42/1424509042.db2.gz SJVHSIUMYZEJRY-SJCJKPOMSA-N 1 1 377.828 3.241 20 5 GGBDMO C[C@H](O)C[N@@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000159511647 1424509051 /nfs/dbraw/zinc/50/90/51/1424509051.db2.gz SJVHSIUMYZEJRY-SJCJKPOMSA-N 1 1 377.828 3.241 20 5 GGBDMO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159556065 1424512733 /nfs/dbraw/zinc/51/27/33/1424512733.db2.gz BEDJGLQQNFPDTI-NRFANRHFSA-N 1 1 396.491 3.443 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000159759427 1424532196 /nfs/dbraw/zinc/53/21/96/1424532196.db2.gz IIKVHLITHKMQOS-UHFFFAOYSA-N 1 1 381.354 3.440 20 5 GGBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159778498 1424533161 /nfs/dbraw/zinc/53/31/61/1424533161.db2.gz CLZGZMPHUXIYAO-FQEVSTJZSA-N 1 1 382.464 3.401 20 5 GGBDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000159931648 1424553310 /nfs/dbraw/zinc/55/33/10/1424553310.db2.gz STILKUFTWCYCDI-UXHICEINSA-N 1 1 383.448 3.064 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000160532561 1424611461 /nfs/dbraw/zinc/61/14/61/1424611461.db2.gz WXZJIBLEDHEAMP-ACJLOTCBSA-N 1 1 386.395 3.332 20 5 GGBDMO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161012056 1424652007 /nfs/dbraw/zinc/65/20/07/1424652007.db2.gz QBKAWVRLZNBKDZ-NRFANRHFSA-N 1 1 396.491 3.443 20 5 GGBDMO CC[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000161261664 1424670842 /nfs/dbraw/zinc/67/08/42/1424670842.db2.gz SRSSKPASXBVJJJ-HXUWFJFHSA-N 1 1 384.480 3.127 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000161866498 1424782664 /nfs/dbraw/zinc/78/26/64/1424782664.db2.gz BPMFYSPFLBPAIJ-MRXNPFEDSA-N 1 1 391.468 3.287 20 5 GGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000161882081 1424786632 /nfs/dbraw/zinc/78/66/32/1424786632.db2.gz VWEFQFWRMRFMJM-CQSZACIVSA-N 1 1 388.493 3.426 20 5 GGBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000162082988 1424814762 /nfs/dbraw/zinc/81/47/62/1424814762.db2.gz LGSHEYIYCGJAEF-UHFFFAOYSA-N 1 1 384.864 3.070 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000162109457 1424816901 /nfs/dbraw/zinc/81/69/01/1424816901.db2.gz AHFGFUFDYRLJHE-SFHVURJKSA-N 1 1 399.447 3.022 20 5 GGBDMO COc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000162109457 1424816903 /nfs/dbraw/zinc/81/69/03/1424816903.db2.gz AHFGFUFDYRLJHE-SFHVURJKSA-N 1 1 399.447 3.022 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000162149641 1424820351 /nfs/dbraw/zinc/82/03/51/1424820351.db2.gz NWSDMHDFQNDMJH-AWEZNQCLSA-N 1 1 388.424 3.200 20 5 GGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000162811866 1424892814 /nfs/dbraw/zinc/89/28/14/1424892814.db2.gz JNYDPPZZLOILLM-OAHLLOKOSA-N 1 1 395.525 3.041 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000163650049 1425029343 /nfs/dbraw/zinc/02/93/43/1425029343.db2.gz QBPOLPLXTANXNM-OAHLLOKOSA-N 1 1 393.484 3.100 20 5 GGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000164090737 1425075721 /nfs/dbraw/zinc/07/57/21/1425075721.db2.gz KLLRJNSRSFJSTA-APWZRJJASA-N 1 1 386.496 3.141 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000170912979 1425388607 /nfs/dbraw/zinc/38/86/07/1425388607.db2.gz XXHWIECOZVBMRI-INIZCTEOSA-N 1 1 375.469 3.120 20 5 GGBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)cc2N1 ZINC000171367686 1425643179 /nfs/dbraw/zinc/64/31/79/1425643179.db2.gz CWTYDROPWKSPRI-KRWDZBQOSA-N 1 1 394.475 3.456 20 5 GGBDMO CCc1n[nH]c(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171371346 1425645271 /nfs/dbraw/zinc/64/52/71/1425645271.db2.gz BNGMORFGAHTBKO-OAHLLOKOSA-N 1 1 391.859 3.101 20 5 GGBDMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000171590207 1425750905 /nfs/dbraw/zinc/75/09/05/1425750905.db2.gz LFQGGZRADNXBNA-INIZCTEOSA-N 1 1 383.448 3.051 20 5 GGBDMO CC(C)CCOC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000171758422 1425813085 /nfs/dbraw/zinc/81/30/85/1425813085.db2.gz NMWFQXDVUPWHRS-LJQANCHMSA-N 1 1 375.469 3.227 20 5 GGBDMO O=C1[C@@H]([NH+]2CCC(Nc3ccc(F)cc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000171758914 1425813190 /nfs/dbraw/zinc/81/31/90/1425813190.db2.gz LXEQBXRKKVEKGH-FQEVSTJZSA-N 1 1 398.438 3.416 20 5 GGBDMO C[NH+](C)CCN1CCC(CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000172026309 1425877298 /nfs/dbraw/zinc/87/72/98/1425877298.db2.gz NPHLMVDTPBKXTJ-UHFFFAOYSA-N 1 1 390.531 3.391 20 5 GGBDMO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172423836 1426037520 /nfs/dbraw/zinc/03/75/20/1426037520.db2.gz ZCFSIHLPQJTFBS-UHFFFAOYSA-N 1 1 386.496 3.286 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000172425673 1426039298 /nfs/dbraw/zinc/03/92/98/1426039298.db2.gz UATGUBCKUPGRAJ-HZPDHXFCSA-N 1 1 395.459 3.407 20 5 GGBDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000172672007 1426136774 /nfs/dbraw/zinc/13/67/74/1426136774.db2.gz UONQKCFVLOFQSU-LBPRGKRZSA-N 1 1 397.884 3.349 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000172694381 1426147460 /nfs/dbraw/zinc/14/74/60/1426147460.db2.gz LQPUPKNJHDPYKP-QGZVFWFLSA-N 1 1 382.464 3.401 20 5 GGBDMO CCOC(=O)c1ccnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000172809532 1426199191 /nfs/dbraw/zinc/19/91/91/1426199191.db2.gz AZKYXYWQRHQSBA-KRWDZBQOSA-N 1 1 398.463 3.125 20 5 GGBDMO CCOC(=O)c1ccnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172813679 1426201605 /nfs/dbraw/zinc/20/16/05/1426201605.db2.gz LKLIZBMAICICFB-INIZCTEOSA-N 1 1 398.463 3.267 20 5 GGBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1([NH+]2CCOCC2)CCCC1 ZINC000173178719 1426379782 /nfs/dbraw/zinc/37/97/82/1426379782.db2.gz NTSPNIACPNCSIW-CYBMUJFWSA-N 1 1 381.860 3.012 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000173243982 1426426248 /nfs/dbraw/zinc/42/62/48/1426426248.db2.gz GMSKFOVNIBHGBP-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000173243982 1426426255 /nfs/dbraw/zinc/42/62/55/1426426255.db2.gz GMSKFOVNIBHGBP-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1SC ZINC000173276162 1426453283 /nfs/dbraw/zinc/45/32/83/1426453283.db2.gz PCYINLLMJSCDBV-CQSZACIVSA-N 1 1 393.509 3.320 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)[C@H]3CCc4ccccc43)o2)cc1 ZINC000173387344 1426563655 /nfs/dbraw/zinc/56/36/55/1426563655.db2.gz AMLHPWXLEYKICZ-SFHVURJKSA-N 1 1 380.404 3.127 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCO)[C@H]3CCc4ccccc43)o2)cc1 ZINC000173387344 1426563674 /nfs/dbraw/zinc/56/36/74/1426563674.db2.gz AMLHPWXLEYKICZ-SFHVURJKSA-N 1 1 380.404 3.127 20 5 GGBDMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173423882 1426606050 /nfs/dbraw/zinc/60/60/50/1426606050.db2.gz KHAYMCZYXKRXBU-UHFFFAOYSA-N 1 1 386.452 3.375 20 5 GGBDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173466223 1426640731 /nfs/dbraw/zinc/64/07/31/1426640731.db2.gz MFMCWBWORYDGMQ-HOTGVXAUSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173466223 1426640741 /nfs/dbraw/zinc/64/07/41/1426640741.db2.gz MFMCWBWORYDGMQ-HOTGVXAUSA-N 1 1 383.452 3.120 20 5 GGBDMO COc1cc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000173514955 1426685094 /nfs/dbraw/zinc/68/50/94/1426685094.db2.gz LQTPSEGNEDALRB-MRXNPFEDSA-N 1 1 383.448 3.340 20 5 GGBDMO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000173520708 1426693328 /nfs/dbraw/zinc/69/33/28/1426693328.db2.gz TZFMKNUOAASGHM-HNNXBMFYSA-N 1 1 398.419 3.240 20 5 GGBDMO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000173520194 1426693577 /nfs/dbraw/zinc/69/35/77/1426693577.db2.gz PUEKQAXTRVONNE-QGZVFWFLSA-N 1 1 396.491 3.397 20 5 GGBDMO C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000173528886 1426703434 /nfs/dbraw/zinc/70/34/34/1426703434.db2.gz WDQSRVLIBGLQGX-QGZVFWFLSA-N 1 1 383.448 3.097 20 5 GGBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000173584274 1426748463 /nfs/dbraw/zinc/74/84/63/1426748463.db2.gz VIJGAICWTCSZFW-LRDDRELGSA-N 1 1 386.374 3.254 20 5 GGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173637643 1426805491 /nfs/dbraw/zinc/80/54/91/1426805491.db2.gz HCCKQTRPLFCOLP-KBPBESRZSA-N 1 1 382.892 3.381 20 5 GGBDMO C[NH+](C)[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000173641074 1426806823 /nfs/dbraw/zinc/80/68/23/1426806823.db2.gz KGCBAKNDHHVYEF-FQEVSTJZSA-N 1 1 383.448 3.268 20 5 GGBDMO O=C(CC[N@H+]1CC[C@@H](COCc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000173651092 1426810445 /nfs/dbraw/zinc/81/04/45/1426810445.db2.gz SAOGXEUIMAHANP-GOSISDBHSA-N 1 1 383.448 3.462 20 5 GGBDMO CN(C(=O)C[N@H+]1CC[C@H](COCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173652259 1426810830 /nfs/dbraw/zinc/81/08/30/1426810830.db2.gz ITLDFYYSKOROAF-SFHVURJKSA-N 1 1 383.448 3.096 20 5 GGBDMO COc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000173704366 1426826654 /nfs/dbraw/zinc/82/66/54/1426826654.db2.gz IOLSTFHWCQGNAC-SFHVURJKSA-N 1 1 383.448 3.340 20 5 GGBDMO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173705778 1426827127 /nfs/dbraw/zinc/82/71/27/1426827127.db2.gz YTTCYSAQMJHUDL-QGZVFWFLSA-N 1 1 393.447 3.208 20 5 GGBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173705778 1426827129 /nfs/dbraw/zinc/82/71/29/1426827129.db2.gz YTTCYSAQMJHUDL-QGZVFWFLSA-N 1 1 393.447 3.208 20 5 GGBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173705778 1426827131 /nfs/dbraw/zinc/82/71/31/1426827131.db2.gz YTTCYSAQMJHUDL-QGZVFWFLSA-N 1 1 393.447 3.208 20 5 GGBDMO CC(C)CN(C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000173798302 1426854008 /nfs/dbraw/zinc/85/40/08/1426854008.db2.gz GXXOWCHJTHDZMS-UHFFFAOYSA-N 1 1 375.469 3.085 20 5 GGBDMO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173799634 1426854330 /nfs/dbraw/zinc/85/43/30/1426854330.db2.gz IERXAJXMVOARKL-OAHLLOKOSA-N 1 1 375.469 3.275 20 5 GGBDMO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C1CC1)C1CCCC1 ZINC000174244418 1427066898 /nfs/dbraw/zinc/06/68/98/1427066898.db2.gz HROHLROQQFGDOM-UHFFFAOYSA-N 1 1 387.480 3.372 20 5 GGBDMO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246031 1427067886 /nfs/dbraw/zinc/06/78/86/1427067886.db2.gz GJROHXVASAFEQO-MRXNPFEDSA-N 1 1 375.469 3.229 20 5 GGBDMO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247038 1427068395 /nfs/dbraw/zinc/06/83/95/1427068395.db2.gz FQXYDWBNKJNPDA-AWEZNQCLSA-N 1 1 389.477 3.204 20 5 GGBDMO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174249344 1427069830 /nfs/dbraw/zinc/06/98/30/1427069830.db2.gz CZWRKPRWIIVOQE-BEFAXECRSA-N 1 1 375.469 3.133 20 5 GGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000174484226 1427177194 /nfs/dbraw/zinc/17/71/94/1427177194.db2.gz ZWFODOJVJYCAQN-QGZVFWFLSA-N 1 1 388.512 3.245 20 5 GGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000174507438 1427191261 /nfs/dbraw/zinc/19/12/61/1427191261.db2.gz VEMYUMCGKABYTK-QGZVFWFLSA-N 1 1 388.512 3.245 20 5 GGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 ZINC000174655137 1427291398 /nfs/dbraw/zinc/29/13/98/1427291398.db2.gz ZHFQQFNHDZXHTA-UHFFFAOYSA-N 1 1 384.480 3.008 20 5 GGBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCN(c2ccccc2)C1 ZINC000174677886 1427304305 /nfs/dbraw/zinc/30/43/05/1427304305.db2.gz MOOZAZRIQVOVGM-FQEVSTJZSA-N 1 1 394.475 3.085 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174678362 1427305017 /nfs/dbraw/zinc/30/50/17/1427305017.db2.gz ASRINHDMXMMFDS-QGZVFWFLSA-N 1 1 398.463 3.143 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000174680465 1427306112 /nfs/dbraw/zinc/30/61/12/1427306112.db2.gz OLYWRMIKVFWIQS-IBGZPJMESA-N 1 1 382.464 3.443 20 5 GGBDMO CCOCCCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174819910 1427386429 /nfs/dbraw/zinc/38/64/29/1427386429.db2.gz STPQVDJCEBIRCV-UHFFFAOYSA-N 1 1 383.876 3.003 20 5 GGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174837895 1427397454 /nfs/dbraw/zinc/39/74/54/1427397454.db2.gz ANVMMXFZMLKYDN-IYBDPMFKSA-N 1 1 380.920 3.239 20 5 GGBDMO O=C(C[N@H+](CCCO)[C@H]1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000174908430 1427440051 /nfs/dbraw/zinc/44/00/51/1427440051.db2.gz OVIZVWYMTVURGJ-IBGZPJMESA-N 1 1 383.448 3.295 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000174951018 1427462298 /nfs/dbraw/zinc/46/22/98/1427462298.db2.gz PIBNVYZEWNXBHN-UONOGXRCSA-N 1 1 382.892 3.239 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174959669 1427467593 /nfs/dbraw/zinc/46/75/93/1427467593.db2.gz BGQREEYJVIMHNZ-MRXNPFEDSA-N 1 1 393.447 3.065 20 5 GGBDMO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000174959669 1427467597 /nfs/dbraw/zinc/46/75/97/1427467597.db2.gz BGQREEYJVIMHNZ-MRXNPFEDSA-N 1 1 393.447 3.065 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000174959669 1427467602 /nfs/dbraw/zinc/46/76/02/1427467602.db2.gz BGQREEYJVIMHNZ-MRXNPFEDSA-N 1 1 393.447 3.065 20 5 GGBDMO Cc1csc(C2([NH2+]CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CCCC2)n1 ZINC000175018226 1427501455 /nfs/dbraw/zinc/50/14/55/1427501455.db2.gz UMVBXFROSJOZNM-UHFFFAOYSA-N 1 1 386.477 3.308 20 5 GGBDMO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000175022468 1427504070 /nfs/dbraw/zinc/50/40/70/1427504070.db2.gz UQGCDQCMDNJOMN-UHFFFAOYSA-N 1 1 393.447 3.208 20 5 GGBDMO C[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2(CCCCC2)C1 ZINC000175062685 1427525756 /nfs/dbraw/zinc/52/57/56/1427525756.db2.gz YFSLNFZWKFACGP-UHFFFAOYSA-N 1 1 380.876 3.137 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000175228544 1427614109 /nfs/dbraw/zinc/61/41/09/1427614109.db2.gz QOFSWFDPTVMRBJ-OAHLLOKOSA-N 1 1 377.485 3.368 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000175228544 1427614118 /nfs/dbraw/zinc/61/41/18/1427614118.db2.gz QOFSWFDPTVMRBJ-OAHLLOKOSA-N 1 1 377.485 3.368 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000175250643 1427625588 /nfs/dbraw/zinc/62/55/88/1427625588.db2.gz UMOFNBROQRIBAU-HNNXBMFYSA-N 1 1 381.436 3.416 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000175250670 1427625792 /nfs/dbraw/zinc/62/57/92/1427625792.db2.gz UMOFNBROQRIBAU-OAHLLOKOSA-N 1 1 381.436 3.416 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175262979 1427633042 /nfs/dbraw/zinc/63/30/42/1427633042.db2.gz UQPNUKGLCDRPOE-LJQANCHMSA-N 1 1 382.464 3.258 20 5 GGBDMO C[C@@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000175267814 1427635716 /nfs/dbraw/zinc/63/57/16/1427635716.db2.gz FSVZMPKPEUZZAQ-QGZVFWFLSA-N 1 1 382.464 3.401 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000175273150 1427640159 /nfs/dbraw/zinc/64/01/59/1427640159.db2.gz VJXWYGCCCGTCFE-LJQANCHMSA-N 1 1 396.491 3.377 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000175280131 1427643902 /nfs/dbraw/zinc/64/39/02/1427643902.db2.gz LCUNMBSNEQLJDZ-IBGZPJMESA-N 1 1 397.475 3.344 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000175280114 1427644019 /nfs/dbraw/zinc/64/40/19/1427644019.db2.gz LCUNMBSNEQLJDZ-LJQANCHMSA-N 1 1 397.475 3.344 20 5 GGBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000175338096 1427689184 /nfs/dbraw/zinc/68/91/84/1427689184.db2.gz GDDNXNFPXPZQJX-HUUCEWRRSA-N 1 1 392.500 3.017 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000175354221 1427701194 /nfs/dbraw/zinc/70/11/94/1427701194.db2.gz KPHFTWGHBLIURW-APWZRJJASA-N 1 1 382.464 3.447 20 5 GGBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000175411562 1427740093 /nfs/dbraw/zinc/74/00/93/1427740093.db2.gz OMKYZVHTTNKVRJ-ASHKIFAZSA-N 1 1 392.477 3.413 20 5 GGBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000175411586 1427740129 /nfs/dbraw/zinc/74/01/29/1427740129.db2.gz OMKYZVHTTNKVRJ-PGGUUEOZSA-N 1 1 392.477 3.413 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000175426505 1427748151 /nfs/dbraw/zinc/74/81/51/1427748151.db2.gz OKMXMVMRXTVRHU-QFBILLFUSA-N 1 1 382.464 3.447 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000175438622 1427754993 /nfs/dbraw/zinc/75/49/93/1427754993.db2.gz ZHUJRXZRMLJZHY-YLJYHZDGSA-N 1 1 396.491 3.490 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000175438677 1427755061 /nfs/dbraw/zinc/75/50/61/1427755061.db2.gz ZHUJRXZRMLJZHY-PXNSSMCTSA-N 1 1 396.491 3.490 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000175438638 1427755102 /nfs/dbraw/zinc/75/51/02/1427755102.db2.gz ZHUJRXZRMLJZHY-FXAWDEMLSA-N 1 1 396.491 3.490 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)nc(C)[nH+]1 ZINC000175470276 1427771861 /nfs/dbraw/zinc/77/18/61/1427771861.db2.gz RRQFOWCIOMWDOT-UHFFFAOYSA-N 1 1 389.843 3.054 20 5 GGBDMO CN(C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000175845150 1427926619 /nfs/dbraw/zinc/92/66/19/1427926619.db2.gz CWEDFMASNMFSEW-SJORKVTESA-N 1 1 389.477 3.207 20 5 GGBDMO CN(C(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000175845150 1427926628 /nfs/dbraw/zinc/92/66/28/1427926628.db2.gz CWEDFMASNMFSEW-SJORKVTESA-N 1 1 389.477 3.207 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000175904105 1427961977 /nfs/dbraw/zinc/96/19/77/1427961977.db2.gz JVSJZCQYILLBPH-CQSZACIVSA-N 1 1 398.467 3.031 20 5 GGBDMO CSc1ccc(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000175923027 1427973653 /nfs/dbraw/zinc/97/36/53/1427973653.db2.gz ZVUOVCHDTGVWLP-AWEZNQCLSA-N 1 1 393.509 3.080 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175974885 1428007632 /nfs/dbraw/zinc/00/76/32/1428007632.db2.gz HFHHKXNTAIBXPF-LJQANCHMSA-N 1 1 382.464 3.258 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176108429 1428087384 /nfs/dbraw/zinc/08/73/84/1428087384.db2.gz VAWCBNRQKWZTMR-HKUYNNGSSA-N 1 1 396.491 3.200 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180172992 1429780004 /nfs/dbraw/zinc/78/00/04/1429780004.db2.gz WJYXXLFYJXWSSG-IUODEOHRSA-N 1 1 386.395 3.248 20 5 GGBDMO C[C@]1(O)CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000180199773 1429800053 /nfs/dbraw/zinc/80/00/53/1429800053.db2.gz SEYCFZAFLLZUEO-NRFANRHFSA-N 1 1 378.432 3.404 20 5 GGBDMO CC(C)(O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000180207097 1429801885 /nfs/dbraw/zinc/80/18/85/1429801885.db2.gz MGVKUSDSFWEBMA-UHFFFAOYSA-N 1 1 391.855 3.460 20 5 GGBDMO CC(C)(O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000180207097 1429801887 /nfs/dbraw/zinc/80/18/87/1429801887.db2.gz MGVKUSDSFWEBMA-UHFFFAOYSA-N 1 1 391.855 3.460 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)nc1 ZINC000180344194 1429841075 /nfs/dbraw/zinc/84/10/75/1429841075.db2.gz AWADKZOERDVUJS-CYBMUJFWSA-N 1 1 384.465 3.263 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)nc1 ZINC000180344194 1429841076 /nfs/dbraw/zinc/84/10/76/1429841076.db2.gz AWADKZOERDVUJS-CYBMUJFWSA-N 1 1 384.465 3.263 20 5 GGBDMO C[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180394792 1429855945 /nfs/dbraw/zinc/85/59/45/1429855945.db2.gz CUQJQUSHFXUBRE-QGZVFWFLSA-N 1 1 396.491 3.158 20 5 GGBDMO C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180399253 1429857012 /nfs/dbraw/zinc/85/70/12/1429857012.db2.gz KRCHYAGLCQXYFI-ABSDTBQOSA-N 1 1 396.491 3.025 20 5 GGBDMO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180433818 1429868617 /nfs/dbraw/zinc/86/86/17/1429868617.db2.gz GMEQSFJCZJLVGZ-GFCCVEGCSA-N 1 1 391.449 3.431 20 5 GGBDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000180447298 1429871517 /nfs/dbraw/zinc/87/15/17/1429871517.db2.gz IKBUSDZPTFVCER-SNVBAGLBSA-N 1 1 378.772 3.446 20 5 GGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180508086 1429885423 /nfs/dbraw/zinc/88/54/23/1429885423.db2.gz IRVWRUFULVPZLM-CYBMUJFWSA-N 1 1 385.411 3.438 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180541237 1429893425 /nfs/dbraw/zinc/89/34/25/1429893425.db2.gz WHZWQEDFIXSMGJ-UHFFFAOYSA-N 1 1 385.420 3.094 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000180602672 1429926115 /nfs/dbraw/zinc/92/61/15/1429926115.db2.gz VETYGUUIMCHTLB-ZBFHGGJFSA-N 1 1 376.409 3.293 20 5 GGBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000180651743 1429956764 /nfs/dbraw/zinc/95/67/64/1429956764.db2.gz ZYEDTYFUIVDEAE-QGZVFWFLSA-N 1 1 388.855 3.397 20 5 GGBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000180722060 1430000871 /nfs/dbraw/zinc/00/08/71/1430000871.db2.gz AXXRAGFUXZBHKD-MRXNPFEDSA-N 1 1 395.525 3.182 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(Cn4ccnn4)CC3)cs2)c1 ZINC000180818985 1430056434 /nfs/dbraw/zinc/05/64/34/1430056434.db2.gz GRLSVRKZBKIMIY-UHFFFAOYSA-N 1 1 384.465 3.222 20 5 GGBDMO Cc1ccc(C[N@H+](CCO)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000180844825 1430066967 /nfs/dbraw/zinc/06/69/67/1430066967.db2.gz WJYKOMUKGLALGT-UHFFFAOYSA-N 1 1 380.448 3.298 20 5 GGBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000180947454 1430129424 /nfs/dbraw/zinc/12/94/24/1430129424.db2.gz UCTVSKUPQMSQSQ-INIZCTEOSA-N 1 1 387.461 3.077 20 5 GGBDMO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000180952123 1430131955 /nfs/dbraw/zinc/13/19/55/1430131955.db2.gz BSMFYKHJOUSZJR-INIZCTEOSA-N 1 1 387.461 3.077 20 5 GGBDMO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000180977244 1430147512 /nfs/dbraw/zinc/14/75/12/1430147512.db2.gz UANVMZOYESUZAU-QGZVFWFLSA-N 1 1 396.491 3.271 20 5 GGBDMO C[C@H](CCO)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000180979483 1430149016 /nfs/dbraw/zinc/14/90/16/1430149016.db2.gz OLRYKQPASSANGI-CQSZACIVSA-N 1 1 391.855 3.460 20 5 GGBDMO C[C@H](CCO)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000180979483 1430149018 /nfs/dbraw/zinc/14/90/18/1430149018.db2.gz OLRYKQPASSANGI-CQSZACIVSA-N 1 1 391.855 3.460 20 5 GGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000181109331 1430213747 /nfs/dbraw/zinc/21/37/47/1430213747.db2.gz HDRXYNLRELOYQI-RDJZCZTQSA-N 1 1 382.464 3.302 20 5 GGBDMO CC(=O)c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000181135648 1430222123 /nfs/dbraw/zinc/22/21/23/1430222123.db2.gz SCSSPXGIORLYLY-LJQANCHMSA-N 1 1 383.448 3.366 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000181305432 1430268786 /nfs/dbraw/zinc/26/87/86/1430268786.db2.gz QUDNLIZJDFYMBA-WMLDXEAASA-N 1 1 397.431 3.106 20 5 GGBDMO CCC[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000181317306 1430271769 /nfs/dbraw/zinc/27/17/69/1430271769.db2.gz ZXRCRIKNBAMYDI-KRWDZBQOSA-N 1 1 382.464 3.304 20 5 GGBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)c(F)c1 ZINC000181412694 1430291716 /nfs/dbraw/zinc/29/17/16/1430291716.db2.gz OUVOGWKHPQCBJS-MRXNPFEDSA-N 1 1 399.781 3.442 20 5 GGBDMO C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181457414 1430304143 /nfs/dbraw/zinc/30/41/43/1430304143.db2.gz NBGFRERBMSWXII-LSDHHAIUSA-N 1 1 384.480 3.388 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000181591974 1430324628 /nfs/dbraw/zinc/32/46/28/1430324628.db2.gz WHEXXINYXAWOGP-MEDUHNTESA-N 1 1 390.465 3.436 20 5 GGBDMO COc1ccc(NC(=O)C[NH2+][C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 ZINC000181625491 1430329972 /nfs/dbraw/zinc/32/99/72/1430329972.db2.gz JKQAQHFZNUSSFK-MRXNPFEDSA-N 1 1 376.438 3.048 20 5 GGBDMO C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181634207 1430332159 /nfs/dbraw/zinc/33/21/59/1430332159.db2.gz KBDMEZOUWSKBBN-CVEARBPZSA-N 1 1 397.479 3.163 20 5 GGBDMO C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181637275 1430332726 /nfs/dbraw/zinc/33/27/26/1430332726.db2.gz XFUSCPLMQBOQLV-HZPDHXFCSA-N 1 1 375.469 3.133 20 5 GGBDMO C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181655019 1430335882 /nfs/dbraw/zinc/33/58/82/1430335882.db2.gz DTWZJWCXVUPQSE-HOTGVXAUSA-N 1 1 397.479 3.163 20 5 GGBDMO O=C(CC[N@@H+]1CCC[C@@H]1CN1CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181679411 1430340286 /nfs/dbraw/zinc/34/02/86/1430340286.db2.gz ZENOAYAUDBRSLT-MRXNPFEDSA-N 1 1 378.448 3.013 20 5 GGBDMO O=C(CC[N@H+]1CCC[C@@H]1CN1CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181679411 1430340288 /nfs/dbraw/zinc/34/02/88/1430340288.db2.gz ZENOAYAUDBRSLT-MRXNPFEDSA-N 1 1 378.448 3.013 20 5 GGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000181683400 1430341186 /nfs/dbraw/zinc/34/11/86/1430341186.db2.gz AUFRNWJBEZQIBE-INIZCTEOSA-N 1 1 395.525 3.062 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000181895533 1430379727 /nfs/dbraw/zinc/37/97/27/1430379727.db2.gz ZCRALCZFUKFUFW-GOSISDBHSA-N 1 1 398.463 3.100 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000181897462 1430379954 /nfs/dbraw/zinc/37/99/54/1430379954.db2.gz MYLFELAQKSIMRJ-MRXNPFEDSA-N 1 1 392.452 3.072 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000181897462 1430379959 /nfs/dbraw/zinc/37/99/59/1430379959.db2.gz MYLFELAQKSIMRJ-MRXNPFEDSA-N 1 1 392.452 3.072 20 5 GGBDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181908361 1430381466 /nfs/dbraw/zinc/38/14/66/1430381466.db2.gz CFZIDWHFRWPEKV-KGLIPLIRSA-N 1 1 379.482 3.355 20 5 GGBDMO Cn1cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181921095 1430383460 /nfs/dbraw/zinc/38/34/60/1430383460.db2.gz UUSAECHFWDBCGM-OAQYLSRUSA-N 1 1 392.459 3.439 20 5 GGBDMO Cn1cc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181921095 1430383463 /nfs/dbraw/zinc/38/34/63/1430383463.db2.gz UUSAECHFWDBCGM-OAQYLSRUSA-N 1 1 392.459 3.439 20 5 GGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000181936932 1430386076 /nfs/dbraw/zinc/38/60/76/1430386076.db2.gz AMMXEZABSBXKTQ-UHFFFAOYSA-N 1 1 395.525 3.014 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000182058013 1430403327 /nfs/dbraw/zinc/40/33/27/1430403327.db2.gz NRDAINNVWJBENU-HOTGVXAUSA-N 1 1 397.431 3.355 20 5 GGBDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000182168587 1430423599 /nfs/dbraw/zinc/42/35/99/1430423599.db2.gz QXQSWMVRUPETKI-BBRMVZONSA-N 1 1 377.466 3.109 20 5 GGBDMO COc1ccc(Cl)cc1C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190190 1430427079 /nfs/dbraw/zinc/42/70/79/1430427079.db2.gz JEKPWECQRGVVLW-HNNXBMFYSA-N 1 1 380.828 3.129 20 5 GGBDMO O=C(C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000182200417 1430428699 /nfs/dbraw/zinc/42/86/99/1430428699.db2.gz OTQDKTGINXAPJT-HUUCEWRRSA-N 1 1 390.461 3.133 20 5 GGBDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215291 1430431077 /nfs/dbraw/zinc/43/10/77/1430431077.db2.gz XLPPBPFJYZAEQY-HNNXBMFYSA-N 1 1 384.354 3.485 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000182220729 1430431883 /nfs/dbraw/zinc/43/18/83/1430431883.db2.gz UORUJLIVLQPWPC-RBUKOAKNSA-N 1 1 386.448 3.016 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000182220707 1430432085 /nfs/dbraw/zinc/43/20/85/1430432085.db2.gz UORUJLIVLQPWPC-OALUTQOASA-N 1 1 386.448 3.016 20 5 GGBDMO C[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000182242715 1430435915 /nfs/dbraw/zinc/43/59/15/1430435915.db2.gz UUCPBXKOKOCQBY-HNNXBMFYSA-N 1 1 397.431 3.060 20 5 GGBDMO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)no1 ZINC000182254532 1430437700 /nfs/dbraw/zinc/43/77/00/1430437700.db2.gz FOSQZCXGJHMIBQ-UHFFFAOYSA-N 1 1 378.816 3.395 20 5 GGBDMO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000182428606 1430466359 /nfs/dbraw/zinc/46/63/59/1430466359.db2.gz MCLDCXAECLNXQG-QGZVFWFLSA-N 1 1 384.404 3.388 20 5 GGBDMO C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000182620013 1430503771 /nfs/dbraw/zinc/50/37/71/1430503771.db2.gz QIZWOTCXEOOAMI-CABCVRRESA-N 1 1 385.439 3.400 20 5 GGBDMO C[C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182629183 1430505195 /nfs/dbraw/zinc/50/51/95/1430505195.db2.gz WTKUPUNFFCPXRS-OAHLLOKOSA-N 1 1 385.439 3.402 20 5 GGBDMO C[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182631686 1430505680 /nfs/dbraw/zinc/50/56/80/1430505680.db2.gz IWCJHYQOLQFOAB-QWHCGFSZSA-N 1 1 391.468 3.462 20 5 GGBDMO C[C@@H](C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182631686 1430505683 /nfs/dbraw/zinc/50/56/83/1430505683.db2.gz IWCJHYQOLQFOAB-QWHCGFSZSA-N 1 1 391.468 3.462 20 5 GGBDMO COc1cc(C[N@@H+](C)CCc2ccncc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182673093 1430514445 /nfs/dbraw/zinc/51/44/45/1430514445.db2.gz ORFLISFDWHYALD-UHFFFAOYSA-N 1 1 381.379 3.317 20 5 GGBDMO CN1CCN(CCC[N@H+](C)Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000182963543 1430581630 /nfs/dbraw/zinc/58/16/30/1430581630.db2.gz GWBYMDHHBKYFLD-UHFFFAOYSA-N 1 1 379.504 3.016 20 5 GGBDMO CN1CCN(CCC[N@@H+](C)Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000182963543 1430581634 /nfs/dbraw/zinc/58/16/34/1430581634.db2.gz GWBYMDHHBKYFLD-UHFFFAOYSA-N 1 1 379.504 3.016 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000183018717 1430594044 /nfs/dbraw/zinc/59/40/44/1430594044.db2.gz RIZUJNDZRYYUDZ-HZPDHXFCSA-N 1 1 395.525 3.143 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183034613 1430597484 /nfs/dbraw/zinc/59/74/84/1430597484.db2.gz CTOLNYVIZPPXEG-CVEARBPZSA-N 1 1 395.525 3.143 20 5 GGBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C2(CCCCC2)C1 ZINC000183057980 1430601632 /nfs/dbraw/zinc/60/16/32/1430601632.db2.gz UIUFHVUPQLGUNK-UHFFFAOYSA-N 1 1 383.395 3.287 20 5 GGBDMO Cn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C2CCCCC2)n1 ZINC000183087339 1430609818 /nfs/dbraw/zinc/60/98/18/1430609818.db2.gz TZZPHVPRLRPBHW-KRWDZBQOSA-N 1 1 384.484 3.457 20 5 GGBDMO COc1cc(C[N@@H+](CCO)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183246385 1430658493 /nfs/dbraw/zinc/65/84/93/1430658493.db2.gz VBVKCPSORQKBLQ-UHFFFAOYSA-N 1 1 388.411 3.374 20 5 GGBDMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000183479147 1430722372 /nfs/dbraw/zinc/72/23/72/1430722372.db2.gz XFSLHLMZVAIMKB-LBPRGKRZSA-N 1 1 391.399 3.349 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183622113 1430756680 /nfs/dbraw/zinc/75/66/80/1430756680.db2.gz IDFIVBKVBXDGOS-QGZVFWFLSA-N 1 1 383.452 3.366 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183960654 1430819130 /nfs/dbraw/zinc/81/91/30/1430819130.db2.gz JTMHQOPRNXFNPQ-GFCCVEGCSA-N 1 1 378.454 3.124 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183960654 1430819131 /nfs/dbraw/zinc/81/91/31/1430819131.db2.gz JTMHQOPRNXFNPQ-GFCCVEGCSA-N 1 1 378.454 3.124 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000184073139 1430837513 /nfs/dbraw/zinc/83/75/13/1430837513.db2.gz RHJIMXSZVDERKV-WMZOPIPTSA-N 1 1 383.448 3.000 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184202210 1430855672 /nfs/dbraw/zinc/85/56/72/1430855672.db2.gz SPXHBXXQBODNJC-UHFFFAOYSA-N 1 1 391.493 3.055 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184214628 1430857252 /nfs/dbraw/zinc/85/72/52/1430857252.db2.gz PLQHZRKHTZAEMF-ZDUSSCGKSA-N 1 1 381.448 3.117 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184214628 1430857253 /nfs/dbraw/zinc/85/72/53/1430857253.db2.gz PLQHZRKHTZAEMF-ZDUSSCGKSA-N 1 1 381.448 3.117 20 5 GGBDMO CCCCCNC(=O)C1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184244075 1430861614 /nfs/dbraw/zinc/86/16/14/1430861614.db2.gz DQBHVDURICSLEI-UHFFFAOYSA-N 1 1 381.448 3.261 20 5 GGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184258507 1430863459 /nfs/dbraw/zinc/86/34/59/1430863459.db2.gz UOTUOPPMVMHFNF-KBPBESRZSA-N 1 1 381.448 3.259 20 5 GGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184258507 1430863460 /nfs/dbraw/zinc/86/34/60/1430863460.db2.gz UOTUOPPMVMHFNF-KBPBESRZSA-N 1 1 381.448 3.259 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000184290902 1430868928 /nfs/dbraw/zinc/86/89/28/1430868928.db2.gz ZRIKXMNTVUJLDL-GFCCVEGCSA-N 1 1 375.404 3.118 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000184290902 1430868930 /nfs/dbraw/zinc/86/89/30/1430868930.db2.gz ZRIKXMNTVUJLDL-GFCCVEGCSA-N 1 1 375.404 3.118 20 5 GGBDMO C[N@@H+](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000184482121 1430892775 /nfs/dbraw/zinc/89/27/75/1430892775.db2.gz GHHOIAASNTYSQK-UHFFFAOYSA-N 1 1 376.844 3.179 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184495274 1430894671 /nfs/dbraw/zinc/89/46/71/1430894671.db2.gz BBBJOIRCUOXEFF-MRXNPFEDSA-N 1 1 391.468 3.286 20 5 GGBDMO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000184520755 1430897870 /nfs/dbraw/zinc/89/78/70/1430897870.db2.gz JNSYFYKGYNGCPV-CYBMUJFWSA-N 1 1 377.391 3.225 20 5 GGBDMO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000184843701 1431000879 /nfs/dbraw/zinc/00/08/79/1431000879.db2.gz ZDGVYRNXLFVVRH-YOEHRIQHSA-N 1 1 383.404 3.340 20 5 GGBDMO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000184843739 1431000893 /nfs/dbraw/zinc/00/08/93/1431000893.db2.gz ZDGVYRNXLFVVRH-WMLDXEAASA-N 1 1 383.404 3.340 20 5 GGBDMO C[C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000185081754 1431056103 /nfs/dbraw/zinc/05/61/03/1431056103.db2.gz LUOMCWQEIPCFLK-GFCCVEGCSA-N 1 1 377.441 3.073 20 5 GGBDMO C[C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000185081754 1431056108 /nfs/dbraw/zinc/05/61/08/1431056108.db2.gz LUOMCWQEIPCFLK-GFCCVEGCSA-N 1 1 377.441 3.073 20 5 GGBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000185098226 1431060633 /nfs/dbraw/zinc/06/06/33/1431060633.db2.gz UVKBQYDKXDERLC-GFCCVEGCSA-N 1 1 399.382 3.463 20 5 GGBDMO COc1cccc(-c2noc([C@@H](C)[NH2+]CCOc3cccc([N+](=O)[O-])c3)n2)c1 ZINC000185127941 1431067670 /nfs/dbraw/zinc/06/76/70/1431067670.db2.gz SIFFIJKUUWTQHY-CYBMUJFWSA-N 1 1 384.392 3.383 20 5 GGBDMO COc1cc(CNC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000185223746 1431088781 /nfs/dbraw/zinc/08/87/81/1431088781.db2.gz VKSZUYOYSIANNK-LJQANCHMSA-N 1 1 385.464 3.309 20 5 GGBDMO COc1cc(C[NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000185223746 1431088786 /nfs/dbraw/zinc/08/87/86/1431088786.db2.gz VKSZUYOYSIANNK-LJQANCHMSA-N 1 1 385.464 3.309 20 5 GGBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000185359067 1431125741 /nfs/dbraw/zinc/12/57/41/1431125741.db2.gz NMBTXUUTAUMZBG-KRWDZBQOSA-N 1 1 390.465 3.438 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185371603 1431128700 /nfs/dbraw/zinc/12/87/00/1431128700.db2.gz NKIHNJNFHORUMO-BDJLRTHQSA-N 1 1 390.465 3.436 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(O)(c4ccccc4)CC3)o2)cc1 ZINC000185488065 1431156069 /nfs/dbraw/zinc/15/60/69/1431156069.db2.gz KTTGCOSZUGNFRJ-UHFFFAOYSA-N 1 1 380.404 3.128 20 5 GGBDMO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185539528 1431167311 /nfs/dbraw/zinc/16/73/11/1431167311.db2.gz FDCRDFRNFWHHQE-KSMMKXTCSA-N 1 1 375.444 3.313 20 5 GGBDMO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000185664272 1431199577 /nfs/dbraw/zinc/19/95/77/1431199577.db2.gz HHJPNCRZRMHSIC-GFCCVEGCSA-N 1 1 385.376 3.139 20 5 GGBDMO C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185689788 1431207341 /nfs/dbraw/zinc/20/73/41/1431207341.db2.gz WUILGIXWGOFZKM-HOCLYGCPSA-N 1 1 385.468 3.387 20 5 GGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c(Cl)c1 ZINC000185855513 1431252980 /nfs/dbraw/zinc/25/29/80/1431252980.db2.gz XHFXKPRRYCKESS-UHFFFAOYSA-N 1 1 395.868 3.078 20 5 GGBDMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186004430 1431309503 /nfs/dbraw/zinc/30/95/03/1431309503.db2.gz WGBQDYXIMFTICD-OAHLLOKOSA-N 1 1 377.832 3.127 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186009846 1431310551 /nfs/dbraw/zinc/31/05/51/1431310551.db2.gz GIBCJRMLUMTQEM-AWEZNQCLSA-N 1 1 382.892 3.415 20 5 GGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000186009931 1431310679 /nfs/dbraw/zinc/31/06/79/1431310679.db2.gz LGXVPGAGOUPCKI-KSSFIOAISA-N 1 1 392.887 3.407 20 5 GGBDMO O=C(CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186092719 1431328917 /nfs/dbraw/zinc/32/89/17/1431328917.db2.gz YAYHYCOITNGDRK-GOSISDBHSA-N 1 1 383.448 3.257 20 5 GGBDMO O=C(CC[N@H+]1CCO[C@H](CCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186092719 1431328924 /nfs/dbraw/zinc/32/89/24/1431328924.db2.gz YAYHYCOITNGDRK-GOSISDBHSA-N 1 1 383.448 3.257 20 5 GGBDMO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186303913 1431376680 /nfs/dbraw/zinc/37/66/80/1431376680.db2.gz ARHLHFILNDGOSM-KRWDZBQOSA-N 1 1 397.431 3.060 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186635482 1431475683 /nfs/dbraw/zinc/47/56/83/1431475683.db2.gz YRHWJEZDWMHFSO-NRFANRHFSA-N 1 1 381.432 3.363 20 5 GGBDMO C[C@H](Nc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000186709844 1431497745 /nfs/dbraw/zinc/49/77/45/1431497745.db2.gz ZLAINKVMUUYWBL-HNNXBMFYSA-N 1 1 397.479 3.329 20 5 GGBDMO COc1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c([N+](=O)[O-])cc1F ZINC000186946305 1431573642 /nfs/dbraw/zinc/57/36/42/1431573642.db2.gz NQEMZOKZMSBZJU-UHFFFAOYSA-N 1 1 392.402 3.451 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000187394915 1431718068 /nfs/dbraw/zinc/71/80/68/1431718068.db2.gz PPGQCFANBVLFDL-FQEVSTJZSA-N 1 1 382.464 3.305 20 5 GGBDMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000187529775 1431757937 /nfs/dbraw/zinc/75/79/37/1431757937.db2.gz KWRSGVSNCVSCJR-UHFFFAOYSA-N 1 1 382.464 3.179 20 5 GGBDMO CSc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000188246625 1431865448 /nfs/dbraw/zinc/86/54/48/1431865448.db2.gz KHCPVHUVFFCYCW-CJNGLKHVSA-N 1 1 375.494 3.406 20 5 GGBDMO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188328466 1431873621 /nfs/dbraw/zinc/87/36/21/1431873621.db2.gz KWZDSFOZZBHKTA-FQEVSTJZSA-N 1 1 389.883 3.317 20 5 GGBDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000188331558 1431874151 /nfs/dbraw/zinc/87/41/51/1431874151.db2.gz AFTGQBNRDXZCPG-OAHLLOKOSA-N 1 1 389.477 3.328 20 5 GGBDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000188331558 1431874153 /nfs/dbraw/zinc/87/41/53/1431874153.db2.gz AFTGQBNRDXZCPG-OAHLLOKOSA-N 1 1 389.477 3.328 20 5 GGBDMO CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000188348442 1431875886 /nfs/dbraw/zinc/87/58/86/1431875886.db2.gz OBNLUKZDKFTHCP-SFHVURJKSA-N 1 1 398.463 3.212 20 5 GGBDMO C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[N@H+]1CC(C)(C)O ZINC000188669764 1431927250 /nfs/dbraw/zinc/92/72/50/1431927250.db2.gz CSLPRDZRQGNPAG-MRXNPFEDSA-N 1 1 377.488 3.305 20 5 GGBDMO C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[N@H+]1CC(C)(C)O ZINC000188669783 1431927417 /nfs/dbraw/zinc/92/74/17/1431927417.db2.gz CSLPRDZRQGNPAG-INIZCTEOSA-N 1 1 377.488 3.305 20 5 GGBDMO Cc1cc(NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000189310159 1432083357 /nfs/dbraw/zinc/08/33/57/1432083357.db2.gz FFCIDGUCPLFEBH-NRFANRHFSA-N 1 1 398.463 3.004 20 5 GGBDMO CCc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[NH+](C)C)cc1 ZINC000189574680 1432164686 /nfs/dbraw/zinc/16/46/86/1432164686.db2.gz PXLSUGQKWBFRLN-GOSISDBHSA-N 1 1 391.493 3.276 20 5 GGBDMO O=C(CC[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1cc([N+](=O)[O-])ccc1F ZINC000189587185 1432168463 /nfs/dbraw/zinc/16/84/63/1432168463.db2.gz RJHLOFUJNXPKKN-HXUWFJFHSA-N 1 1 385.395 3.194 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1 ZINC000189722054 1432214944 /nfs/dbraw/zinc/21/49/44/1432214944.db2.gz PCEBUYKUTICLJA-UHFFFAOYSA-N 1 1 377.466 3.062 20 5 GGBDMO CC[C@@](C)(O)C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000189739844 1432220433 /nfs/dbraw/zinc/22/04/33/1432220433.db2.gz DGBSDSPCVIARBD-JOCHJYFZSA-N 1 1 397.475 3.147 20 5 GGBDMO COc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc([N+](=O)[O-])c1C ZINC000190107878 1432321135 /nfs/dbraw/zinc/32/11/35/1432321135.db2.gz MRQAEPNSTBUDER-CABCVRRESA-N 1 1 375.469 3.295 20 5 GGBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1c[nH]c2ccccc12 ZINC000190490794 1432391643 /nfs/dbraw/zinc/39/16/43/1432391643.db2.gz KSMISZBBYLLFRM-UHFFFAOYSA-N 1 1 378.432 3.487 20 5 GGBDMO COc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000190574468 1432411069 /nfs/dbraw/zinc/41/10/69/1432411069.db2.gz ZIARARBDILLAFS-QGZVFWFLSA-N 1 1 387.436 3.462 20 5 GGBDMO CCn1cc([C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)cn1 ZINC000190819093 1432493610 /nfs/dbraw/zinc/49/36/10/1432493610.db2.gz CYRIGQMKHPTJDG-IBGZPJMESA-N 1 1 397.435 3.082 20 5 GGBDMO CCn1cc([C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)cn1 ZINC000190819093 1432493627 /nfs/dbraw/zinc/49/36/27/1432493627.db2.gz CYRIGQMKHPTJDG-IBGZPJMESA-N 1 1 397.435 3.082 20 5 GGBDMO Cc1c(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000190842510 1432504101 /nfs/dbraw/zinc/50/41/01/1432504101.db2.gz HYBQSPDRGPYZBL-SFHVURJKSA-N 1 1 398.463 3.316 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190851325 1432507684 /nfs/dbraw/zinc/50/76/84/1432507684.db2.gz BKBRSUZNLBPUOH-IBGZPJMESA-N 1 1 398.463 3.316 20 5 GGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000191301690 1432625305 /nfs/dbraw/zinc/62/53/05/1432625305.db2.gz WOXRKHIEBFGVQR-UHFFFAOYSA-N 1 1 387.387 3.177 20 5 GGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000191301690 1432625317 /nfs/dbraw/zinc/62/53/17/1432625317.db2.gz WOXRKHIEBFGVQR-UHFFFAOYSA-N 1 1 387.387 3.177 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000191338876 1432636283 /nfs/dbraw/zinc/63/62/83/1432636283.db2.gz CJUZMJBGGOLZNI-HUUCEWRRSA-N 1 1 378.473 3.221 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191338860 1432636546 /nfs/dbraw/zinc/63/65/46/1432636546.db2.gz CJUZMJBGGOLZNI-GASCZTMLSA-N 1 1 378.473 3.221 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191338860 1432636554 /nfs/dbraw/zinc/63/65/54/1432636554.db2.gz CJUZMJBGGOLZNI-GASCZTMLSA-N 1 1 378.473 3.221 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000191341522 1432636832 /nfs/dbraw/zinc/63/68/32/1432636832.db2.gz IMZOWNXRBAEXTF-BRWVUGGUSA-N 1 1 390.484 3.317 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000191383514 1432646804 /nfs/dbraw/zinc/64/68/04/1432646804.db2.gz UNZIYTUYPNSDBD-SJORKVTESA-N 1 1 392.500 3.470 20 5 GGBDMO CCC[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[N@H+]1CCOC ZINC000191413249 1432656967 /nfs/dbraw/zinc/65/69/67/1432656967.db2.gz WQNLPCGWFZKRPE-MRXNPFEDSA-N 1 1 378.473 3.176 20 5 GGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191478561 1432668846 /nfs/dbraw/zinc/66/88/46/1432668846.db2.gz CZFBDNYDTNKZIZ-IBGZPJMESA-N 1 1 385.464 3.421 20 5 GGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191489505 1432670570 /nfs/dbraw/zinc/67/05/70/1432670570.db2.gz MFEUJBVTVBDXHY-IBGZPJMESA-N 1 1 385.464 3.421 20 5 GGBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000191724359 1432713067 /nfs/dbraw/zinc/71/30/67/1432713067.db2.gz WIZHOXLUPMNOJD-QAPCUYQASA-N 1 1 386.448 3.243 20 5 GGBDMO O=C1Nc2ccccc2CC[C@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192048226 1432786768 /nfs/dbraw/zinc/78/67/68/1432786768.db2.gz NGROROJKKVFAMY-HXUWFJFHSA-N 1 1 381.432 3.392 20 5 GGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192226832 1432819637 /nfs/dbraw/zinc/81/96/37/1432819637.db2.gz VAOBWVYQYRCXKZ-HXUWFJFHSA-N 1 1 385.464 3.444 20 5 GGBDMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000192468165 1432848526 /nfs/dbraw/zinc/84/85/26/1432848526.db2.gz WRZRKRYZBMLKCO-AWEZNQCLSA-N 1 1 389.477 3.307 20 5 GGBDMO CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192644313 1432870628 /nfs/dbraw/zinc/87/06/28/1432870628.db2.gz VNZCOBCJGDKBRD-GOSISDBHSA-N 1 1 389.477 3.012 20 5 GGBDMO CC[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000192720983 1432879788 /nfs/dbraw/zinc/87/97/88/1432879788.db2.gz UKJUFLOWFIRHHF-UYAOXDASSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000192720983 1432879790 /nfs/dbraw/zinc/87/97/90/1432879790.db2.gz UKJUFLOWFIRHHF-UYAOXDASSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000192720959 1432879893 /nfs/dbraw/zinc/87/98/93/1432879893.db2.gz UKJUFLOWFIRHHF-QUCCMNQESA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000192720959 1432879895 /nfs/dbraw/zinc/87/98/95/1432879895.db2.gz UKJUFLOWFIRHHF-QUCCMNQESA-N 1 1 397.475 3.313 20 5 GGBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777881 1432889437 /nfs/dbraw/zinc/88/94/37/1432889437.db2.gz PGNCLHXQLUBTAV-FUHWJXTLSA-N 1 1 397.479 3.007 20 5 GGBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777881 1432889440 /nfs/dbraw/zinc/88/94/40/1432889440.db2.gz PGNCLHXQLUBTAV-FUHWJXTLSA-N 1 1 397.479 3.007 20 5 GGBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777881 1432889441 /nfs/dbraw/zinc/88/94/41/1432889441.db2.gz PGNCLHXQLUBTAV-FUHWJXTLSA-N 1 1 397.479 3.007 20 5 GGBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192925503 1432908587 /nfs/dbraw/zinc/90/85/87/1432908587.db2.gz FVNBTALMTAUAED-HKUYNNGSSA-N 1 1 396.491 3.424 20 5 GGBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2N1 ZINC000192960218 1432913417 /nfs/dbraw/zinc/91/34/17/1432913417.db2.gz QTVYGPBVJNKAOR-INIZCTEOSA-N 1 1 380.448 3.414 20 5 GGBDMO C[N@@H+](CCSCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000193620118 1433030160 /nfs/dbraw/zinc/03/01/60/1433030160.db2.gz KHSJBHYKMUDLCP-UHFFFAOYSA-N 1 1 385.489 3.349 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CSCC[N@@H+](C)Cc1ccccc1 ZINC000193623624 1433030375 /nfs/dbraw/zinc/03/03/75/1433030375.db2.gz QMMGYNLGTWMPIL-UHFFFAOYSA-N 1 1 389.477 3.407 20 5 GGBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)cc1 ZINC000193663058 1433036352 /nfs/dbraw/zinc/03/63/52/1433036352.db2.gz RRRGVVKXRLCHBP-MRXNPFEDSA-N 1 1 393.827 3.173 20 5 GGBDMO COC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000193669303 1433037389 /nfs/dbraw/zinc/03/73/89/1433037389.db2.gz FEIXPZZKMUTXMH-KRWDZBQOSA-N 1 1 389.839 3.115 20 5 GGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000193750175 1433051845 /nfs/dbraw/zinc/05/18/45/1433051845.db2.gz OIPMHGMPFVIPBV-UHFFFAOYSA-N 1 1 394.428 3.334 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000193778846 1433057398 /nfs/dbraw/zinc/05/73/98/1433057398.db2.gz BMWDPEYOSWVYEM-KRWDZBQOSA-N 1 1 382.464 3.443 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000193778846 1433057404 /nfs/dbraw/zinc/05/74/04/1433057404.db2.gz BMWDPEYOSWVYEM-KRWDZBQOSA-N 1 1 382.464 3.443 20 5 GGBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000193801198 1433062738 /nfs/dbraw/zinc/06/27/38/1433062738.db2.gz VRCTUMHZQURVHA-KRWDZBQOSA-N 1 1 383.448 3.164 20 5 GGBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000193803275 1433062986 /nfs/dbraw/zinc/06/29/86/1433062986.db2.gz YMTDLWYYWLZWKQ-AWEZNQCLSA-N 1 1 375.375 3.125 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000194028165 1433103864 /nfs/dbraw/zinc/10/38/64/1433103864.db2.gz KQCLPQWOICJXSU-IBGZPJMESA-N 1 1 398.463 3.182 20 5 GGBDMO COc1cccc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000194303040 1433158400 /nfs/dbraw/zinc/15/84/00/1433158400.db2.gz AFTOUAABRWBUEX-CQSZACIVSA-N 1 1 385.420 3.249 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194345319 1433164756 /nfs/dbraw/zinc/16/47/56/1433164756.db2.gz JVGRXCKGELNQNJ-UHFFFAOYSA-N 1 1 395.456 3.053 20 5 GGBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194352029 1433165746 /nfs/dbraw/zinc/16/57/46/1433165746.db2.gz SEKYXDXSBAGJPJ-QGZVFWFLSA-N 1 1 395.459 3.388 20 5 GGBDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])cc2)CC1 ZINC000194403434 1433172875 /nfs/dbraw/zinc/17/28/75/1433172875.db2.gz GBIPVBQWAUTFTJ-UHFFFAOYSA-N 1 1 382.464 3.293 20 5 GGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194415861 1433174484 /nfs/dbraw/zinc/17/44/84/1433174484.db2.gz FECFIIBDRPQXIU-SFHVURJKSA-N 1 1 382.464 3.258 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000194487857 1433186259 /nfs/dbraw/zinc/18/62/59/1433186259.db2.gz ODKDDLNUHQYPNC-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000194487857 1433186260 /nfs/dbraw/zinc/18/62/60/1433186260.db2.gz ODKDDLNUHQYPNC-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO COc1cccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194528812 1433193033 /nfs/dbraw/zinc/19/30/33/1433193033.db2.gz HSADVOOYRZCETD-KRWDZBQOSA-N 1 1 383.448 3.198 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3c(C)cccc3[N+](=O)[O-])CC2)oc1C ZINC000194695491 1433216632 /nfs/dbraw/zinc/21/66/32/1433216632.db2.gz FQDUJBBWEQRLLM-UHFFFAOYSA-N 1 1 386.452 3.150 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194751488 1433224594 /nfs/dbraw/zinc/22/45/94/1433224594.db2.gz AIOGJNYEZUAZRH-IBGZPJMESA-N 1 1 396.491 3.425 20 5 GGBDMO CSc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1[N+](=O)[O-] ZINC000194792787 1433233872 /nfs/dbraw/zinc/23/38/72/1433233872.db2.gz QRLYXWUHAWWPLG-UHFFFAOYSA-N 1 1 383.433 3.136 20 5 GGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000194858553 1433250090 /nfs/dbraw/zinc/25/00/90/1433250090.db2.gz CRLRHOWZEZSQMN-LJQANCHMSA-N 1 1 388.424 3.056 20 5 GGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000194860890 1433250757 /nfs/dbraw/zinc/25/07/57/1433250757.db2.gz DQHQKHKNIUJXRM-LJQANCHMSA-N 1 1 388.424 3.056 20 5 GGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000194865337 1433251875 /nfs/dbraw/zinc/25/18/75/1433251875.db2.gz WFKIROIJAINAOG-FQEVSTJZSA-N 1 1 391.468 3.143 20 5 GGBDMO COc1cccc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000194917178 1433264069 /nfs/dbraw/zinc/26/40/69/1433264069.db2.gz RRFIKSXHYUFBHT-GOSISDBHSA-N 1 1 383.448 3.244 20 5 GGBDMO COc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000195321814 1433318914 /nfs/dbraw/zinc/31/89/14/1433318914.db2.gz VUYGAVGBJSEISW-HNNXBMFYSA-N 1 1 377.828 3.290 20 5 GGBDMO C[N@@H+](CCOc1cccc(CNc2ncc([N+](=O)[O-])s2)c1)C1CCOCC1 ZINC000195513177 1433338080 /nfs/dbraw/zinc/33/80/80/1433338080.db2.gz PNPIQDBGXPHFET-UHFFFAOYSA-N 1 1 392.481 3.153 20 5 GGBDMO Cc1cc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195692228 1433344817 /nfs/dbraw/zinc/34/48/17/1433344817.db2.gz REXHBYRFFNSNOP-IRXDYDNUSA-N 1 1 397.475 3.442 20 5 GGBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000216733026 1433364249 /nfs/dbraw/zinc/36/42/49/1433364249.db2.gz CZPLMWDSOAKNDR-GOSISDBHSA-N 1 1 388.855 3.175 20 5 GGBDMO C[N@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000216733026 1433364252 /nfs/dbraw/zinc/36/42/52/1433364252.db2.gz CZPLMWDSOAKNDR-GOSISDBHSA-N 1 1 388.855 3.175 20 5 GGBDMO COc1cc(C[NH2+]Cc2cnn(C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237129523 1433390344 /nfs/dbraw/zinc/39/03/44/1433390344.db2.gz QRTJOEOLRQJDKA-UHFFFAOYSA-N 1 1 382.420 3.206 20 5 GGBDMO COc1cc(CNC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237242289 1433393851 /nfs/dbraw/zinc/39/38/51/1433393851.db2.gz JYNONHTYTQSTEZ-SFHVURJKSA-N 1 1 385.464 3.366 20 5 GGBDMO COc1cc(CNC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237242289 1433393852 /nfs/dbraw/zinc/39/38/52/1433393852.db2.gz JYNONHTYTQSTEZ-SFHVURJKSA-N 1 1 385.464 3.366 20 5 GGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237464853 1433404553 /nfs/dbraw/zinc/40/45/53/1433404553.db2.gz UUOPXTVHJZENOI-GFCCVEGCSA-N 1 1 397.884 3.349 20 5 GGBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237578287 1433410590 /nfs/dbraw/zinc/41/05/90/1433410590.db2.gz UUOPXTVHJZENOI-LBPRGKRZSA-N 1 1 397.884 3.349 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000245439611 1433467941 /nfs/dbraw/zinc/46/79/41/1433467941.db2.gz FXZPNWFKEBMXQH-HNAYVOBHSA-N 1 1 399.447 3.394 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000245439611 1433467943 /nfs/dbraw/zinc/46/79/43/1433467943.db2.gz FXZPNWFKEBMXQH-HNAYVOBHSA-N 1 1 399.447 3.394 20 5 GGBDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245445305 1433469323 /nfs/dbraw/zinc/46/93/23/1433469323.db2.gz KGLAKKMNOMHJOR-HZPDHXFCSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245445305 1433469324 /nfs/dbraw/zinc/46/93/24/1433469324.db2.gz KGLAKKMNOMHJOR-HZPDHXFCSA-N 1 1 383.452 3.120 20 5 GGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245448265 1433469589 /nfs/dbraw/zinc/46/95/89/1433469589.db2.gz MTKGJUNTXUAXAC-FUHWJXTLSA-N 1 1 383.448 3.461 20 5 GGBDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245446561 1433469644 /nfs/dbraw/zinc/46/96/44/1433469644.db2.gz LHFXHUVYEAAYIN-YESZJQIVSA-N 1 1 397.479 3.050 20 5 GGBDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245446561 1433469645 /nfs/dbraw/zinc/46/96/45/1433469645.db2.gz LHFXHUVYEAAYIN-YESZJQIVSA-N 1 1 397.479 3.050 20 5 GGBDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000245447633 1433469656 /nfs/dbraw/zinc/46/96/56/1433469656.db2.gz MFMCWBWORYDGMQ-JKSUJKDBSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000245447633 1433469657 /nfs/dbraw/zinc/46/96/57/1433469657.db2.gz MFMCWBWORYDGMQ-JKSUJKDBSA-N 1 1 383.452 3.120 20 5 GGBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000245449481 1433469934 /nfs/dbraw/zinc/46/99/34/1433469934.db2.gz NSVFDUYCQDSNHP-NHCUHLMSSA-N 1 1 398.438 3.403 20 5 GGBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245679423 1433498406 /nfs/dbraw/zinc/49/84/06/1433498406.db2.gz GULKJUNFBHMWDY-VQTJNVASSA-N 1 1 388.512 3.004 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000245682655 1433498763 /nfs/dbraw/zinc/49/87/63/1433498763.db2.gz KHTHUFPPHXYJJQ-FQEVSTJZSA-N 1 1 382.464 3.221 20 5 GGBDMO Cc1c(NC(=O)CCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000245682655 1433498765 /nfs/dbraw/zinc/49/87/65/1433498765.db2.gz KHTHUFPPHXYJJQ-FQEVSTJZSA-N 1 1 382.464 3.221 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000245727732 1433506559 /nfs/dbraw/zinc/50/65/59/1433506559.db2.gz SIBDAJZLEIOHCX-FQEVSTJZSA-N 1 1 382.464 3.221 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000245727732 1433506560 /nfs/dbraw/zinc/50/65/60/1433506560.db2.gz SIBDAJZLEIOHCX-FQEVSTJZSA-N 1 1 382.464 3.221 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000245727732 1433506562 /nfs/dbraw/zinc/50/65/62/1433506562.db2.gz SIBDAJZLEIOHCX-FQEVSTJZSA-N 1 1 382.464 3.221 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000245831559 1433523840 /nfs/dbraw/zinc/52/38/40/1433523840.db2.gz GKKYLABUQDVLJH-HOTGVXAUSA-N 1 1 393.509 3.218 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1SC ZINC000245839838 1433524726 /nfs/dbraw/zinc/52/47/26/1433524726.db2.gz FONAXLPLFHIGEZ-QWHCGFSZSA-N 1 1 381.498 3.176 20 5 GGBDMO O=C(C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245929967 1433545868 /nfs/dbraw/zinc/54/58/68/1433545868.db2.gz UPNIVVNRLCMPRJ-UONOGXRCSA-N 1 1 399.900 3.173 20 5 GGBDMO O=C(C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245929967 1433545871 /nfs/dbraw/zinc/54/58/71/1433545871.db2.gz UPNIVVNRLCMPRJ-UONOGXRCSA-N 1 1 399.900 3.173 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000245952404 1433550019 /nfs/dbraw/zinc/55/00/19/1433550019.db2.gz SSQYRQTWPCVWPR-FPOVZHCZSA-N 1 1 383.448 3.430 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000245952404 1433550023 /nfs/dbraw/zinc/55/00/23/1433550023.db2.gz SSQYRQTWPCVWPR-FPOVZHCZSA-N 1 1 383.448 3.430 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245998960 1433555863 /nfs/dbraw/zinc/55/58/63/1433555863.db2.gz XZLZNEARUORUGE-DLBZAZTESA-N 1 1 393.509 3.218 20 5 GGBDMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000246180943 1433578680 /nfs/dbraw/zinc/57/86/80/1433578680.db2.gz RHYHVMUZAZWXCO-RHSMWYFYSA-N 1 1 383.452 3.066 20 5 GGBDMO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000246180943 1433578683 /nfs/dbraw/zinc/57/86/83/1433578683.db2.gz RHYHVMUZAZWXCO-RHSMWYFYSA-N 1 1 383.452 3.066 20 5 GGBDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246183673 1433579214 /nfs/dbraw/zinc/57/92/14/1433579214.db2.gz SBLYYAKTNUXFAR-IUODEOHRSA-N 1 1 389.843 3.157 20 5 GGBDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246183673 1433579217 /nfs/dbraw/zinc/57/92/17/1433579217.db2.gz SBLYYAKTNUXFAR-IUODEOHRSA-N 1 1 389.843 3.157 20 5 GGBDMO C[C@@]1(O)CC[N@@H+]([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000246289569 1433590158 /nfs/dbraw/zinc/59/01/58/1433590158.db2.gz AHEDBZVMZZSNBH-IEBWSBKVSA-N 1 1 389.839 3.385 20 5 GGBDMO C[C@@]1(O)CC[N@H+]([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000246289569 1433590160 /nfs/dbraw/zinc/59/01/60/1433590160.db2.gz AHEDBZVMZZSNBH-IEBWSBKVSA-N 1 1 389.839 3.385 20 5 GGBDMO CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246319351 1433594345 /nfs/dbraw/zinc/59/43/45/1433594345.db2.gz RORDAPUXALHXHD-VQTJNVASSA-N 1 1 376.428 3.459 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000246367200 1433601533 /nfs/dbraw/zinc/60/15/33/1433601533.db2.gz LHPAZSQKPPKSAX-IAGOWNOFSA-N 1 1 375.469 3.087 20 5 GGBDMO COc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000246377462 1433603500 /nfs/dbraw/zinc/60/35/00/1433603500.db2.gz MJFJGMNTMFWYTJ-JKSUJKDBSA-N 1 1 375.469 3.330 20 5 GGBDMO O=C(C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000246429276 1433611684 /nfs/dbraw/zinc/61/16/84/1433611684.db2.gz DAGVWTIZERDOAD-GOEBONIOSA-N 1 1 390.461 3.133 20 5 GGBDMO CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000246524535 1433625268 /nfs/dbraw/zinc/62/52/68/1433625268.db2.gz BYYGHRIKRNRLRX-DZGCQCFKSA-N 1 1 379.482 3.355 20 5 GGBDMO O=C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246528527 1433625713 /nfs/dbraw/zinc/62/57/13/1433625713.db2.gz JGDXOQZCMAIYJL-SCLBCKFNSA-N 1 1 392.887 3.135 20 5 GGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000246541494 1433628111 /nfs/dbraw/zinc/62/81/11/1433628111.db2.gz GLMSBTZRRVMYTH-YOEHRIQHSA-N 1 1 386.477 3.275 20 5 GGBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000246568619 1433632354 /nfs/dbraw/zinc/63/23/54/1433632354.db2.gz KYEKEEYXTKLDKW-WMLDXEAASA-N 1 1 376.409 3.163 20 5 GGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000246568614 1433632369 /nfs/dbraw/zinc/63/23/69/1433632369.db2.gz KYEKEEYXTKLDKW-RHSMWYFYSA-N 1 1 376.409 3.163 20 5 GGBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000246642252 1433644215 /nfs/dbraw/zinc/64/42/15/1433644215.db2.gz WWEJGBMFYRFVKK-DYVFJYSZSA-N 1 1 375.450 3.447 20 5 GGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000246642252 1433644216 /nfs/dbraw/zinc/64/42/16/1433644216.db2.gz WWEJGBMFYRFVKK-DYVFJYSZSA-N 1 1 375.450 3.447 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246655543 1433645835 /nfs/dbraw/zinc/64/58/35/1433645835.db2.gz AAGHJCXCCSEOGS-HOCLYGCPSA-N 1 1 395.525 3.184 20 5 GGBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246736409 1433657888 /nfs/dbraw/zinc/65/78/88/1433657888.db2.gz XSVOSIYKTNAZSD-QFBILLFUSA-N 1 1 399.495 3.001 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246768876 1433663060 /nfs/dbraw/zinc/66/30/60/1433663060.db2.gz UTFQUYWJQJIOME-KSSFIOAISA-N 1 1 397.903 3.044 20 5 GGBDMO O=C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000246864700 1433680005 /nfs/dbraw/zinc/68/00/05/1433680005.db2.gz PUGSFBYRPLTFFO-GUYCJALGSA-N 1 1 392.887 3.135 20 5 GGBDMO O=C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000246864723 1433680173 /nfs/dbraw/zinc/68/01/73/1433680173.db2.gz PUGSFBYRPLTFFO-SUMWQHHRSA-N 1 1 392.887 3.135 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)c1 ZINC000246877358 1433681399 /nfs/dbraw/zinc/68/13/99/1433681399.db2.gz QIRHBGCUCKRKCF-YJBOKZPZSA-N 1 1 383.452 3.094 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)c1 ZINC000246877335 1433681491 /nfs/dbraw/zinc/68/14/91/1433681491.db2.gz QIRHBGCUCKRKCF-MAUKXSAKSA-N 1 1 383.452 3.094 20 5 GGBDMO CCOC(=O)c1ccnc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000246889332 1433683167 /nfs/dbraw/zinc/68/31/67/1433683167.db2.gz GJPZTVSUKPQMLV-MRXNPFEDSA-N 1 1 398.463 3.267 20 5 GGBDMO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000247235776 1433694767 /nfs/dbraw/zinc/69/47/67/1433694767.db2.gz UQXPNZCXOWQQGA-BRWVUGGUSA-N 1 1 388.512 3.149 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000247422999 1433720618 /nfs/dbraw/zinc/72/06/18/1433720618.db2.gz NGGYMEYTKJTYRU-YPGOJHLTSA-N 1 1 396.491 3.280 20 5 GGBDMO CS(=O)(=O)c1ccc(N[C@H](C[NH+]2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000247552165 1433736420 /nfs/dbraw/zinc/73/64/20/1433736420.db2.gz WHWCJPIQPBSBOK-GOSISDBHSA-N 1 1 389.477 3.247 20 5 GGBDMO Nc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000248064552 1433767215 /nfs/dbraw/zinc/76/72/15/1433767215.db2.gz MCFQRRYDAMJVRS-PKOBYXMFSA-N 1 1 394.475 3.304 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000248148286 1433774901 /nfs/dbraw/zinc/77/49/01/1433774901.db2.gz UIYFAEVDUHWVCM-OAHLLOKOSA-N 1 1 385.468 3.301 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000248183724 1433778641 /nfs/dbraw/zinc/77/86/41/1433778641.db2.gz WXZJIBLEDHEAMP-SCLBCKFNSA-N 1 1 386.395 3.332 20 5 GGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000248199930 1433779784 /nfs/dbraw/zinc/77/97/84/1433779784.db2.gz YISQQSYARDEXQU-RHSMWYFYSA-N 1 1 386.477 3.275 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248439645 1433802793 /nfs/dbraw/zinc/80/27/93/1433802793.db2.gz IRXHXLGUEDOHOJ-CRAIPNDOSA-N 1 1 395.525 3.291 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248439645 1433802795 /nfs/dbraw/zinc/80/27/95/1433802795.db2.gz IRXHXLGUEDOHOJ-CRAIPNDOSA-N 1 1 395.525 3.291 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248444394 1433803214 /nfs/dbraw/zinc/80/32/14/1433803214.db2.gz FXDJQDPXZWMZOP-DOTOQJQBSA-N 1 1 392.839 3.141 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000248459477 1433804661 /nfs/dbraw/zinc/80/46/61/1433804661.db2.gz NRDAINNVWJBENU-JKSUJKDBSA-N 1 1 397.431 3.355 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000248468719 1433805005 /nfs/dbraw/zinc/80/50/05/1433805005.db2.gz UGLUEVAZAAFCSO-DLBZAZTESA-N 1 1 388.489 3.449 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000248537691 1433807570 /nfs/dbraw/zinc/80/75/70/1433807570.db2.gz HIXLVVZSMKSXOA-KNBMTAEXSA-N 1 1 383.448 3.286 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000248537691 1433807571 /nfs/dbraw/zinc/80/75/71/1433807571.db2.gz HIXLVVZSMKSXOA-KNBMTAEXSA-N 1 1 383.448 3.286 20 5 GGBDMO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248547343 1433807788 /nfs/dbraw/zinc/80/77/88/1433807788.db2.gz FDCRDFRNFWHHQE-CKFHNAJUSA-N 1 1 375.444 3.313 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000248564060 1433808756 /nfs/dbraw/zinc/80/87/56/1433808756.db2.gz HTMGHRURHWZQAC-RDJZCZTQSA-N 1 1 378.473 3.162 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000248612865 1433811346 /nfs/dbraw/zinc/81/13/46/1433811346.db2.gz YCFGNFRABQJURG-DOXZYTNZSA-N 1 1 395.475 3.091 20 5 GGBDMO COc1cccc(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000248834933 1433824978 /nfs/dbraw/zinc/82/49/78/1433824978.db2.gz CPUUKQNOITXEFV-IGOJGBNBSA-N 1 1 397.475 3.490 20 5 GGBDMO COc1cccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000248841059 1433825304 /nfs/dbraw/zinc/82/53/04/1433825304.db2.gz QRNFIODLLPCYPX-HZPDHXFCSA-N 1 1 375.469 3.330 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000249128763 1433836526 /nfs/dbraw/zinc/83/65/26/1433836526.db2.gz UNZIYTUYPNSDBD-DLBZAZTESA-N 1 1 392.500 3.470 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000249128766 1433836622 /nfs/dbraw/zinc/83/66/22/1433836622.db2.gz UNZIYTUYPNSDBD-IRXDYDNUSA-N 1 1 392.500 3.470 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000249146467 1433837553 /nfs/dbraw/zinc/83/75/53/1433837553.db2.gz UOKAFSITGWHOHA-HOCLYGCPSA-N 1 1 395.525 3.184 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000250080139 1433854326 /nfs/dbraw/zinc/85/43/26/1433854326.db2.gz OZPIXMBTKRCKGV-DNVCBOLYSA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000250080139 1433854327 /nfs/dbraw/zinc/85/43/27/1433854327.db2.gz OZPIXMBTKRCKGV-DNVCBOLYSA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000250142432 1433854803 /nfs/dbraw/zinc/85/48/03/1433854803.db2.gz ZGEMIKISANKVDJ-DNVCBOLYSA-N 1 1 386.448 3.385 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000252441539 1433863193 /nfs/dbraw/zinc/86/31/93/1433863193.db2.gz NICIVYJEWYREAO-UONOGXRCSA-N 1 1 378.448 3.043 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000255036231 1433874753 /nfs/dbraw/zinc/87/47/53/1433874753.db2.gz HTMJYGLXPIAMCT-FUHWJXTLSA-N 1 1 392.477 3.077 20 5 GGBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000255954482 1433892674 /nfs/dbraw/zinc/89/26/74/1433892674.db2.gz NGCXKWFDHFMRIU-SFHVURJKSA-N 1 1 388.855 3.175 20 5 GGBDMO C[N@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000255954482 1433892677 /nfs/dbraw/zinc/89/26/77/1433892677.db2.gz NGCXKWFDHFMRIU-SFHVURJKSA-N 1 1 388.855 3.175 20 5 GGBDMO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261714209 1433899720 /nfs/dbraw/zinc/89/97/20/1433899720.db2.gz DSRALDHLQIEJNC-HXUWFJFHSA-N 1 1 398.438 3.121 20 5 GGBDMO CCOc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000261956347 1433915688 /nfs/dbraw/zinc/91/56/88/1433915688.db2.gz LZSCQWIYFQAQEB-KRWDZBQOSA-N 1 1 389.839 3.434 20 5 GGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261976767 1433918652 /nfs/dbraw/zinc/91/86/52/1433918652.db2.gz NTQRIRKYTSYFTP-UGSOOPFHSA-N 1 1 389.452 3.388 20 5 GGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261976760 1433918717 /nfs/dbraw/zinc/91/87/17/1433918717.db2.gz NTQRIRKYTSYFTP-ACJLOTCBSA-N 1 1 389.452 3.388 20 5 GGBDMO CSc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000262097510 1433927101 /nfs/dbraw/zinc/92/71/01/1433927101.db2.gz YYYHLWBRJNIYCU-MRXNPFEDSA-N 1 1 375.425 3.243 20 5 GGBDMO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000263522160 1434011307 /nfs/dbraw/zinc/01/13/07/1434011307.db2.gz ROEBSRSEDVNLPC-MRXNPFEDSA-N 1 1 387.436 3.226 20 5 GGBDMO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000263522160 1434011311 /nfs/dbraw/zinc/01/13/11/1434011311.db2.gz ROEBSRSEDVNLPC-MRXNPFEDSA-N 1 1 387.436 3.226 20 5 GGBDMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000263522160 1434011316 /nfs/dbraw/zinc/01/13/16/1434011316.db2.gz ROEBSRSEDVNLPC-MRXNPFEDSA-N 1 1 387.436 3.226 20 5 GGBDMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000263522160 1434011319 /nfs/dbraw/zinc/01/13/19/1434011319.db2.gz ROEBSRSEDVNLPC-MRXNPFEDSA-N 1 1 387.436 3.226 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264404574 1434108209 /nfs/dbraw/zinc/10/82/09/1434108209.db2.gz XAVUDZKQSWIPRI-MRXNPFEDSA-N 1 1 398.463 3.347 20 5 GGBDMO CCCO[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000264448766 1434114177 /nfs/dbraw/zinc/11/41/77/1434114177.db2.gz DDJJCURWUMKQAS-HNNXBMFYSA-N 1 1 379.457 3.213 20 5 GGBDMO CCCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000264448767 1434114245 /nfs/dbraw/zinc/11/42/45/1434114245.db2.gz DDJJCURWUMKQAS-OAHLLOKOSA-N 1 1 379.457 3.213 20 5 GGBDMO Cc1c(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000264606780 1434133953 /nfs/dbraw/zinc/13/39/53/1434133953.db2.gz DLBAOMYTVXXPJL-LZWOXQAQSA-N 1 1 376.457 3.009 20 5 GGBDMO Cc1c(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000264606780 1434133954 /nfs/dbraw/zinc/13/39/54/1434133954.db2.gz DLBAOMYTVXXPJL-LZWOXQAQSA-N 1 1 376.457 3.009 20 5 GGBDMO COc1cc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000264678912 1434143053 /nfs/dbraw/zinc/14/30/53/1434143053.db2.gz NTUWFJSMCWHPGK-CQSZACIVSA-N 1 1 385.420 3.249 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000264899215 1434163380 /nfs/dbraw/zinc/16/33/80/1434163380.db2.gz LBIYFIHYBRRMBE-UHFFFAOYSA-N 1 1 393.484 3.196 20 5 GGBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000264955004 1434167681 /nfs/dbraw/zinc/16/76/81/1434167681.db2.gz YNZNJZRXAOWDMD-UHFFFAOYSA-N 1 1 390.531 3.486 20 5 GGBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000264955004 1434167683 /nfs/dbraw/zinc/16/76/83/1434167683.db2.gz YNZNJZRXAOWDMD-UHFFFAOYSA-N 1 1 390.531 3.486 20 5 GGBDMO CCN1CC[NH+](CCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000265314885 1434217217 /nfs/dbraw/zinc/21/72/17/1434217217.db2.gz JMYAALPWOUUQSR-UHFFFAOYSA-N 1 1 398.463 3.353 20 5 GGBDMO CCn1cc(C[NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000265528657 1434242820 /nfs/dbraw/zinc/24/28/20/1434242820.db2.gz PERYPWPIRBESEA-UHFFFAOYSA-N 1 1 388.346 3.051 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c2ccncc21 ZINC000265755990 1434262873 /nfs/dbraw/zinc/26/28/73/1434262873.db2.gz DUNIYYZUSVDABZ-XLIONFOSSA-N 1 1 392.459 3.438 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c2ccncc21 ZINC000265755987 1434262902 /nfs/dbraw/zinc/26/29/02/1434262902.db2.gz DUNIYYZUSVDABZ-FXAWDEMLSA-N 1 1 392.459 3.438 20 5 GGBDMO COc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000265858006 1434273423 /nfs/dbraw/zinc/27/34/23/1434273423.db2.gz CIJZCCLOTXJWMK-INIZCTEOSA-N 1 1 397.431 3.237 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266002825 1434295342 /nfs/dbraw/zinc/29/53/42/1434295342.db2.gz JTKGANOTOMDYRN-CYBMUJFWSA-N 1 1 381.860 3.468 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC2(CCOCC2)C1 ZINC000266002825 1434295343 /nfs/dbraw/zinc/29/53/43/1434295343.db2.gz JTKGANOTOMDYRN-CYBMUJFWSA-N 1 1 381.860 3.468 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266537612 1434347639 /nfs/dbraw/zinc/34/76/39/1434347639.db2.gz JVSWEMPIHZJMED-LJQANCHMSA-N 1 1 396.491 3.301 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c(N)c3F)CC2)oc1C ZINC000266826738 1434379379 /nfs/dbraw/zinc/37/93/79/1434379379.db2.gz BGJHLUDYQTWZFM-UHFFFAOYSA-N 1 1 377.420 3.245 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266946395 1434391494 /nfs/dbraw/zinc/39/14/94/1434391494.db2.gz SNTBGMYQWFZEBP-NEPJUHHUSA-N 1 1 377.832 3.178 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266946403 1434391530 /nfs/dbraw/zinc/39/15/30/1434391530.db2.gz SNTBGMYQWFZEBP-VXGBXAGGSA-N 1 1 377.832 3.178 20 5 GGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266958139 1434393065 /nfs/dbraw/zinc/39/30/65/1434393065.db2.gz VWOGNNMBAIPQHJ-VXGBXAGGSA-N 1 1 377.832 3.178 20 5 GGBDMO O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000266997940 1434397316 /nfs/dbraw/zinc/39/73/16/1434397316.db2.gz FREWUXRCGNYLFH-UHFFFAOYSA-N 1 1 391.468 3.366 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298740 1434420494 /nfs/dbraw/zinc/42/04/94/1434420494.db2.gz UCRSLNACCKOYGY-IIBYNOLFSA-N 1 1 397.475 3.462 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000267458151 1434435824 /nfs/dbraw/zinc/43/58/24/1434435824.db2.gz QORVUXPQKAOUHE-QGZVFWFLSA-N 1 1 382.464 3.161 20 5 GGBDMO COC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267466860 1434436737 /nfs/dbraw/zinc/43/67/37/1434436737.db2.gz WRARUGIWTKCCSK-QWHCGFSZSA-N 1 1 390.465 3.014 20 5 GGBDMO COC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267466860 1434436738 /nfs/dbraw/zinc/43/67/38/1434436738.db2.gz WRARUGIWTKCCSK-QWHCGFSZSA-N 1 1 390.465 3.014 20 5 GGBDMO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000267633152 1434451799 /nfs/dbraw/zinc/45/17/99/1434451799.db2.gz SZEPIWWWUXKIBC-JSGCOSHPSA-N 1 1 390.440 3.471 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000267633152 1434451801 /nfs/dbraw/zinc/45/18/01/1434451801.db2.gz SZEPIWWWUXKIBC-JSGCOSHPSA-N 1 1 390.440 3.471 20 5 GGBDMO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000267657159 1434453287 /nfs/dbraw/zinc/45/32/87/1434453287.db2.gz CDSCTXKSJZIOHA-OAHLLOKOSA-N 1 1 390.509 3.467 20 5 GGBDMO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000267657159 1434453289 /nfs/dbraw/zinc/45/32/89/1434453289.db2.gz CDSCTXKSJZIOHA-OAHLLOKOSA-N 1 1 390.509 3.467 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000267678920 1434454932 /nfs/dbraw/zinc/45/49/32/1434454932.db2.gz WONVCHBDRQFKPG-UHFFFAOYSA-N 1 1 389.843 3.054 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000268869991 1434566342 /nfs/dbraw/zinc/56/63/42/1434566342.db2.gz LEVPHCHGMFHBTL-LBPRGKRZSA-N 1 1 376.409 3.480 20 5 GGBDMO CO[C@H](C)c1nc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000269077554 1434588832 /nfs/dbraw/zinc/58/88/32/1434588832.db2.gz NTSYYCRCDNMQGH-NWDGAFQWSA-N 1 1 378.454 3.266 20 5 GGBDMO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269129704 1434595420 /nfs/dbraw/zinc/59/54/20/1434595420.db2.gz AUEKUNOAEJAIJW-UHFFFAOYSA-N 1 1 375.450 3.004 20 5 GGBDMO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269178806 1434602495 /nfs/dbraw/zinc/60/24/95/1434602495.db2.gz KRIQCLNWKPBMHO-CYBMUJFWSA-N 1 1 375.450 3.004 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269178806 1434602496 /nfs/dbraw/zinc/60/24/96/1434602496.db2.gz KRIQCLNWKPBMHO-CYBMUJFWSA-N 1 1 375.450 3.004 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269434141 1434645296 /nfs/dbraw/zinc/64/52/96/1434645296.db2.gz CMIZPMFKJJIEKR-MRXNPFEDSA-N 1 1 385.468 3.035 20 5 GGBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269434141 1434645300 /nfs/dbraw/zinc/64/53/00/1434645300.db2.gz CMIZPMFKJJIEKR-MRXNPFEDSA-N 1 1 385.468 3.035 20 5 GGBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269434141 1434645306 /nfs/dbraw/zinc/64/53/06/1434645306.db2.gz CMIZPMFKJJIEKR-MRXNPFEDSA-N 1 1 385.468 3.035 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000269458553 1434649168 /nfs/dbraw/zinc/64/91/68/1434649168.db2.gz SCFQZGNNYVODKJ-ZDUSSCGKSA-N 1 1 391.497 3.145 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000269613304 1434663539 /nfs/dbraw/zinc/66/35/39/1434663539.db2.gz QGHOYRYVOGPVHD-UHFFFAOYSA-N 1 1 380.832 3.071 20 5 GGBDMO CC(C)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)CC1 ZINC000270457257 1434734880 /nfs/dbraw/zinc/73/48/80/1434734880.db2.gz KFZXLGDXNZVOBI-UHFFFAOYSA-N 1 1 383.496 3.138 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000270796789 1434776065 /nfs/dbraw/zinc/77/60/65/1434776065.db2.gz LFTBKTDRNOMHGH-HNNXBMFYSA-N 1 1 395.525 3.280 20 5 GGBDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271112455 1434802610 /nfs/dbraw/zinc/80/26/10/1434802610.db2.gz ADPNTPWFGRHUME-GOSISDBHSA-N 1 1 392.452 3.089 20 5 GGBDMO COC(=O)[C@@H]1CC12CC[NH+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000271202083 1434807971 /nfs/dbraw/zinc/80/79/71/1434807971.db2.gz UULZNODVHSXDMP-INIZCTEOSA-N 1 1 387.461 3.493 20 5 GGBDMO CCOc1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000271434471 1434824559 /nfs/dbraw/zinc/82/45/59/1434824559.db2.gz DNDTYPKKXJHOAO-HNNXBMFYSA-N 1 1 388.468 3.180 20 5 GGBDMO COc1cc(C[NH2+][C@@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000271831146 1434853464 /nfs/dbraw/zinc/85/34/64/1434853464.db2.gz XBDLZVBHTXWAFE-AWEZNQCLSA-N 1 1 382.363 3.418 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272214190 1434878555 /nfs/dbraw/zinc/87/85/55/1434878555.db2.gz AUBWZKUYMPIDPR-GDBMZVCRSA-N 1 1 385.468 3.082 20 5 GGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272222978 1434879399 /nfs/dbraw/zinc/87/93/99/1434879399.db2.gz AGCWDQKJCXLNMM-STQMWFEESA-N 1 1 390.440 3.471 20 5 GGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272222978 1434879401 /nfs/dbraw/zinc/87/94/01/1434879401.db2.gz AGCWDQKJCXLNMM-STQMWFEESA-N 1 1 390.440 3.471 20 5 GGBDMO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272386275 1434892769 /nfs/dbraw/zinc/89/27/69/1434892769.db2.gz WCLAUXRZUQNJQE-SJLPKXTDSA-N 1 1 383.448 3.000 20 5 GGBDMO CCC[N@H+]1CC[C@@H](CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272454662 1434897588 /nfs/dbraw/zinc/89/75/88/1434897588.db2.gz QBZGKJSEFDSLNF-ZDUSSCGKSA-N 1 1 387.427 3.069 20 5 GGBDMO Cn1ccnc1[C@@H](NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272496118 1434900483 /nfs/dbraw/zinc/90/04/83/1434900483.db2.gz FYKOWRMNCATXFA-ROUUACIJSA-N 1 1 385.493 3.372 20 5 GGBDMO COc1cccc(O[C@H](C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272537900 1434905454 /nfs/dbraw/zinc/90/54/54/1434905454.db2.gz OKBZJHKSODAMKZ-FOIQADDNSA-N 1 1 396.447 3.483 20 5 GGBDMO Cn1ccnc1[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272539078 1434905649 /nfs/dbraw/zinc/90/56/49/1434905649.db2.gz OREZZXNUUDISON-ICSRJNTNSA-N 1 1 395.463 3.437 20 5 GGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000272585849 1434910847 /nfs/dbraw/zinc/91/08/47/1434910847.db2.gz ZCRRKQJXCYZQJR-AZUAARDMSA-N 1 1 384.411 3.054 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@]2(C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272598114 1434912981 /nfs/dbraw/zinc/91/29/81/1434912981.db2.gz OGTIXKYQGGTRTL-GOSISDBHSA-N 1 1 388.411 3.374 20 5 GGBDMO COc1ccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272871387 1434937719 /nfs/dbraw/zinc/93/77/19/1434937719.db2.gz WRAHLDFEAPHJRY-ZBFHGGJFSA-N 1 1 390.484 3.056 20 5 GGBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ncccc12 ZINC000273066080 1434956723 /nfs/dbraw/zinc/95/67/23/1434956723.db2.gz DUVSIMJUCNNEQQ-QGZVFWFLSA-N 1 1 378.432 3.322 20 5 GGBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)sc2C1 ZINC000273079740 1434958361 /nfs/dbraw/zinc/95/83/61/1434958361.db2.gz XJBYHJVHZYWBDC-UHFFFAOYSA-N 1 1 389.481 3.136 20 5 GGBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)sc2C1 ZINC000273079740 1434958364 /nfs/dbraw/zinc/95/83/64/1434958364.db2.gz XJBYHJVHZYWBDC-UHFFFAOYSA-N 1 1 389.481 3.136 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000273153559 1434967060 /nfs/dbraw/zinc/96/70/60/1434967060.db2.gz IJRVMXMWAZNLFD-UHFFFAOYSA-N 1 1 381.358 3.116 20 5 GGBDMO COc1ccccc1-c1noc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000273264322 1434976541 /nfs/dbraw/zinc/97/65/41/1434976541.db2.gz FGRDRUORQRLOCO-CYBMUJFWSA-N 1 1 384.392 3.383 20 5 GGBDMO Cc1cc(-c2noc([C@H](C)[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000273273733 1434977348 /nfs/dbraw/zinc/97/73/48/1434977348.db2.gz FDVXPJVOZYVCBG-YVEFUNNKSA-N 1 1 386.383 3.477 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273356584 1434982961 /nfs/dbraw/zinc/98/29/61/1434982961.db2.gz DNMWEUWZYWMELM-UHFFFAOYSA-N 1 1 396.463 3.336 20 5 GGBDMO COc1ccccc1-c1noc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000273439599 1434988936 /nfs/dbraw/zinc/98/89/36/1434988936.db2.gz ZBOVQTUMMVRHGI-ZDUSSCGKSA-N 1 1 384.392 3.383 20 5 GGBDMO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)cc(C(F)(F)F)c1 ZINC000274084295 1435042332 /nfs/dbraw/zinc/04/23/32/1435042332.db2.gz TVLLVKQASNHFOB-YPMHNXCESA-N 1 1 384.314 3.199 20 5 GGBDMO COc1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc1[N+](=O)[O-] ZINC000275037536 1435111881 /nfs/dbraw/zinc/11/18/81/1435111881.db2.gz FFMKSQURXZMAOM-UHFFFAOYSA-N 1 1 378.816 3.090 20 5 GGBDMO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000275308998 1435130179 /nfs/dbraw/zinc/13/01/79/1435130179.db2.gz OEQSOFZOZRHXNZ-HKUYNNGSSA-N 1 1 397.435 3.220 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](CCO)c1ccccc1 ZINC000275462068 1435140933 /nfs/dbraw/zinc/14/09/33/1435140933.db2.gz KHEUAPHHRFHUHF-SFHVURJKSA-N 1 1 375.400 3.118 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](CCO)c1ccccc1 ZINC000275462058 1435140938 /nfs/dbraw/zinc/14/09/38/1435140938.db2.gz KHEUAPHHRFHUHF-GOSISDBHSA-N 1 1 375.400 3.118 20 5 GGBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H](C)O1 ZINC000275603846 1435151904 /nfs/dbraw/zinc/15/19/04/1435151904.db2.gz JKFRMPYJQITDAU-IYBDPMFKSA-N 1 1 393.487 3.323 20 5 GGBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H](C)O1 ZINC000275603846 1435151905 /nfs/dbraw/zinc/15/19/05/1435151905.db2.gz JKFRMPYJQITDAU-IYBDPMFKSA-N 1 1 393.487 3.323 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000276043908 1435187491 /nfs/dbraw/zinc/18/74/91/1435187491.db2.gz SYIACDZTMRNLOQ-HNNXBMFYSA-N 1 1 392.374 3.137 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000276043908 1435187492 /nfs/dbraw/zinc/18/74/92/1435187492.db2.gz SYIACDZTMRNLOQ-HNNXBMFYSA-N 1 1 392.374 3.137 20 5 GGBDMO CCOc1cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000276859456 1435238007 /nfs/dbraw/zinc/23/80/07/1435238007.db2.gz GEQITBCTOYIXDB-UHFFFAOYSA-N 1 1 389.477 3.449 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000277559983 1435312826 /nfs/dbraw/zinc/31/28/26/1435312826.db2.gz JWCJPLAONBIVKM-IEBWSBKVSA-N 1 1 381.432 3.360 20 5 GGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277801028 1435331824 /nfs/dbraw/zinc/33/18/24/1435331824.db2.gz VPHGGEOXQUWWOJ-KRWDZBQOSA-N 1 1 392.500 3.016 20 5 GGBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000278343108 1435381844 /nfs/dbraw/zinc/38/18/44/1435381844.db2.gz JELQJLSMQYQEEU-AWEZNQCLSA-N 1 1 396.369 3.187 20 5 GGBDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000278374293 1435385096 /nfs/dbraw/zinc/38/50/96/1435385096.db2.gz AFZQJGNQOXASAT-NXEZZACHSA-N 1 1 391.371 3.161 20 5 GGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278433962 1435390597 /nfs/dbraw/zinc/39/05/97/1435390597.db2.gz KKLGXZNJOAIRIJ-NSHDSACASA-N 1 1 399.373 3.254 20 5 GGBDMO Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278760629 1435421222 /nfs/dbraw/zinc/42/12/22/1435421222.db2.gz NLTJHFBJSCHOGX-INIZCTEOSA-N 1 1 397.479 3.050 20 5 GGBDMO Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278760631 1435421303 /nfs/dbraw/zinc/42/13/03/1435421303.db2.gz NLTJHFBJSCHOGX-MRXNPFEDSA-N 1 1 397.479 3.050 20 5 GGBDMO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1=CC[N@@H+](C)CC1 ZINC000278767723 1435421686 /nfs/dbraw/zinc/42/16/86/1435421686.db2.gz UGNZEWYRUVVPSI-LLVKDONJSA-N 1 1 386.374 3.063 20 5 GGBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)CCCCCO ZINC000278776904 1435422738 /nfs/dbraw/zinc/42/27/38/1435422738.db2.gz CTVZOLGKXBMRMY-CYBMUJFWSA-N 1 1 392.481 3.140 20 5 GGBDMO CCn1nccc1C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000278857995 1435432044 /nfs/dbraw/zinc/43/20/44/1435432044.db2.gz KVBRSXIKWUIMAT-HNNXBMFYSA-N 1 1 385.468 3.326 20 5 GGBDMO CCn1nccc1C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000278886818 1435435432 /nfs/dbraw/zinc/43/54/32/1435435432.db2.gz NTCZCCMILJXFRI-UHFFFAOYSA-N 1 1 382.424 3.241 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278945954 1435443472 /nfs/dbraw/zinc/44/34/72/1435443472.db2.gz VCVLESIIKCVYDR-OAHLLOKOSA-N 1 1 397.479 3.334 20 5 GGBDMO CN1CCN(c2cc(C[NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)ccn2)CC1 ZINC000279031671 1435454122 /nfs/dbraw/zinc/45/41/22/1435454122.db2.gz INFPDPGBVOJVCW-FQEVSTJZSA-N 1 1 395.507 3.254 20 5 GGBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C[C@H]2C1 ZINC000279188595 1435468952 /nfs/dbraw/zinc/46/89/52/1435468952.db2.gz JSFQQHCBRFZPBD-TXEJJXNPSA-N 1 1 383.398 3.005 20 5 GGBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000279291821 1435482439 /nfs/dbraw/zinc/48/24/39/1435482439.db2.gz YHHDFDFTZHTPTB-LBPRGKRZSA-N 1 1 392.456 3.020 20 5 GGBDMO Cc1[nH+]ccn1CCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279529724 1435510062 /nfs/dbraw/zinc/51/00/62/1435510062.db2.gz PCJZJWZKWIVLKP-UHFFFAOYSA-N 1 1 385.346 3.008 20 5 GGBDMO C[C@@H]1OCC[C@]12C[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C[C@@H](C)O2 ZINC000279787397 1435543085 /nfs/dbraw/zinc/54/30/85/1435543085.db2.gz OALHQKCJIIKVJM-SIFCLUCFSA-N 1 1 387.436 3.061 20 5 GGBDMO Cc1cccc(CC2(O)CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000279797801 1435544414 /nfs/dbraw/zinc/54/44/14/1435544414.db2.gz NAGCXNZBAJMRHT-UHFFFAOYSA-N 1 1 398.459 3.339 20 5 GGBDMO C[C@H](Nc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000280370870 1435646007 /nfs/dbraw/zinc/64/60/07/1435646007.db2.gz YXHJNYFICMLKCN-INIZCTEOSA-N 1 1 395.463 3.155 20 5 GGBDMO C[C@@H](Nc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000280370872 1435646308 /nfs/dbraw/zinc/64/63/08/1435646308.db2.gz YXHJNYFICMLKCN-MRXNPFEDSA-N 1 1 395.463 3.155 20 5 GGBDMO CC1(C)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@]2(CCOC2)O1 ZINC000280524069 1435673255 /nfs/dbraw/zinc/67/32/55/1435673255.db2.gz OKWFRNSBUOENPZ-FQEVSTJZSA-N 1 1 387.436 3.062 20 5 GGBDMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000280617905 1435690569 /nfs/dbraw/zinc/69/05/69/1435690569.db2.gz BITMOMOGBVIMNE-OAHLLOKOSA-N 1 1 391.468 3.139 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c2c(c1)COCO2 ZINC000280716071 1435708347 /nfs/dbraw/zinc/70/83/47/1435708347.db2.gz BTZITNDWSLXJLP-OTWHNJEPSA-N 1 1 376.453 3.367 20 5 GGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281024786 1435758572 /nfs/dbraw/zinc/75/85/72/1435758572.db2.gz OPZGWHSQHNKVKC-KDOFPFPSSA-N 1 1 395.419 3.392 20 5 GGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281024786 1435758584 /nfs/dbraw/zinc/75/85/84/1435758584.db2.gz OPZGWHSQHNKVKC-KDOFPFPSSA-N 1 1 395.419 3.392 20 5 GGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281024780 1435758813 /nfs/dbraw/zinc/75/88/13/1435758813.db2.gz OPZGWHSQHNKVKC-KBXCAEBGSA-N 1 1 395.419 3.392 20 5 GGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281024780 1435758822 /nfs/dbraw/zinc/75/88/22/1435758822.db2.gz OPZGWHSQHNKVKC-KBXCAEBGSA-N 1 1 395.419 3.392 20 5 GGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281561061 1435813507 /nfs/dbraw/zinc/81/35/07/1435813507.db2.gz YFANBBRJZMLRNU-YEAFQPLXSA-N 1 1 375.469 3.183 20 5 GGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1OC(F)F ZINC000282359155 1435844360 /nfs/dbraw/zinc/84/43/60/1435844360.db2.gz DDLLQQGQLZPQPF-UHFFFAOYSA-N 1 1 379.363 3.309 20 5 GGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1OC(F)F ZINC000282359155 1435844362 /nfs/dbraw/zinc/84/43/62/1435844362.db2.gz DDLLQQGQLZPQPF-UHFFFAOYSA-N 1 1 379.363 3.309 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000282995872 1435869453 /nfs/dbraw/zinc/86/94/53/1435869453.db2.gz COVDBTZTPAQYCN-CABCVRRESA-N 1 1 375.469 3.376 20 5 GGBDMO COc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1OC ZINC000283875232 1435941426 /nfs/dbraw/zinc/94/14/26/1435941426.db2.gz ALDCRSDWKMPYJM-LLVKDONJSA-N 1 1 391.380 3.380 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283890841 1435946017 /nfs/dbraw/zinc/94/60/17/1435946017.db2.gz IUPHKLVLIHQNRF-KGLIPLIRSA-N 1 1 378.448 3.043 20 5 GGBDMO CCOc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164631624 719089810 /nfs/dbraw/zinc/08/98/10/719089810.db2.gz YRVBSZSXIAPZAD-PKOBYXMFSA-N 1 1 382.464 3.489 20 5 GGBDMO CCOc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164631620 719089881 /nfs/dbraw/zinc/08/98/81/719089881.db2.gz YRVBSZSXIAPZAD-MJGOQNOKSA-N 1 1 382.464 3.489 20 5 GGBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC001164646861 719307304 /nfs/dbraw/zinc/30/73/04/719307304.db2.gz JDOOGPQIQZYBQC-UHFFFAOYSA-N 1 1 378.864 3.045 20 5 GGBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)ncc2[N+](=O)[O-])CC3)cs1 ZINC001164693780 719807896 /nfs/dbraw/zinc/80/78/96/719807896.db2.gz REVOHYIBKFHCDP-UHFFFAOYSA-N 1 1 388.497 3.093 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])C2 ZINC001164809201 720097838 /nfs/dbraw/zinc/09/78/38/720097838.db2.gz IYBMYJQJFIXSRK-KXBFYZLASA-N 1 1 394.903 3.136 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])C2 ZINC001164809200 720098296 /nfs/dbraw/zinc/09/82/96/720098296.db2.gz IYBMYJQJFIXSRK-HNAYVOBHSA-N 1 1 394.903 3.136 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001164812510 720105862 /nfs/dbraw/zinc/10/58/62/720105862.db2.gz OYDIIUBWNXPGFX-JTSKRJEESA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001164812527 720108835 /nfs/dbraw/zinc/10/88/35/720108835.db2.gz PBPRUDTXPUYGAE-PGRDOPGGSA-N 1 1 396.491 3.328 20 5 GGBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2c1 ZINC001164725423 720365758 /nfs/dbraw/zinc/36/57/58/720365758.db2.gz NHXFDWPAWTYJCB-WOJBJXKFSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c2ccccc21 ZINC001164726981 720374373 /nfs/dbraw/zinc/37/43/73/720374373.db2.gz QAOUONJCMRSQMT-RBUKOAKNSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc21 ZINC001164727771 720376317 /nfs/dbraw/zinc/37/63/17/720376317.db2.gz RJHLVMZPYVMZOB-ROUUACIJSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)ccc21 ZINC001164729756 720376635 /nfs/dbraw/zinc/37/66/35/720376635.db2.gz WBTDAWBZKYCELH-PMACEKPBSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)ccc21 ZINC001164729758 720377133 /nfs/dbraw/zinc/37/71/33/720377133.db2.gz WBTDAWBZKYCELH-VQTJNVASSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)ccc21 ZINC001164729757 720377423 /nfs/dbraw/zinc/37/74/23/720377423.db2.gz WBTDAWBZKYCELH-UXHICEINSA-N 1 1 375.432 3.391 20 5 GGBDMO CC(C)Oc1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164729389 720453613 /nfs/dbraw/zinc/45/36/13/720453613.db2.gz HIVLYFZJJWIOTK-IAGOWNOFSA-N 1 1 383.452 3.025 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164839180 720555637 /nfs/dbraw/zinc/55/56/37/720555637.db2.gz PSJJIQSDWPDJKG-IPMKNSEASA-N 1 1 398.511 3.181 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164840529 720660796 /nfs/dbraw/zinc/66/07/96/720660796.db2.gz NFDHSBJIWLXLHU-IBGZPJMESA-N 1 1 382.464 3.250 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)cc([N+](=O)[O-])n1)[C@H]2C ZINC001164860054 720948645 /nfs/dbraw/zinc/94/86/45/720948645.db2.gz PMJPUZUAFTXQHM-LBPRGKRZSA-N 1 1 378.864 3.261 20 5 GGBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)cn1 ZINC001164770384 721096423 /nfs/dbraw/zinc/09/64/23/721096423.db2.gz PVQNVGDMNHSFSR-RTWAWAEBSA-N 1 1 398.514 3.475 20 5 GGBDMO Cc1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164771310 721299917 /nfs/dbraw/zinc/29/99/17/721299917.db2.gz ZXAQINAZAIBPHX-UHFFFAOYSA-N 1 1 379.464 3.282 20 5 GGBDMO O=[N+]([O-])c1cccc2nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)ccc21 ZINC001164783431 721407728 /nfs/dbraw/zinc/40/77/28/721407728.db2.gz IIFADLBMYCSMMF-OKILXGFUSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1cccc2nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)ccc21 ZINC001164783431 721407732 /nfs/dbraw/zinc/40/77/32/721407732.db2.gz IIFADLBMYCSMMF-OKILXGFUSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164784235 721418651 /nfs/dbraw/zinc/41/86/51/721418651.db2.gz KWAWTTPXEOBFRD-HUUCEWRRSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1ccc2ccnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164781794 721422524 /nfs/dbraw/zinc/42/25/24/721422524.db2.gz FERHFFVLSXRVMK-GASCZTMLSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1ccc2ccnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164781794 721422527 /nfs/dbraw/zinc/42/25/27/721422527.db2.gz FERHFFVLSXRVMK-GASCZTMLSA-N 1 1 381.461 3.168 20 5 GGBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164793757 721491898 /nfs/dbraw/zinc/49/18/98/721491898.db2.gz VFHUCGNLZOPUPA-UHFFFAOYSA-N 1 1 385.443 3.405 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164899057 721510765 /nfs/dbraw/zinc/51/07/65/721510765.db2.gz JUHSVVUHHLJTLO-GDBMZVCRSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164899058 721511204 /nfs/dbraw/zinc/51/12/04/721511204.db2.gz JUHSVVUHHLJTLO-GOEBONIOSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164901064 721512080 /nfs/dbraw/zinc/51/20/80/721512080.db2.gz WHNLTSUTKORLOK-GDBMZVCRSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905239 721526926 /nfs/dbraw/zinc/52/69/26/721526926.db2.gz HDNTUIXHYNHLTC-ZBFHGGJFSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908336 721584614 /nfs/dbraw/zinc/58/46/14/721584614.db2.gz YKCXZEPDNJRZGF-SFHVURJKSA-N 1 1 389.406 3.123 20 5 GGBDMO Cc1cc([N+](=O)[O-])cnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908267 721744438 /nfs/dbraw/zinc/74/44/38/721744438.db2.gz GHAWZSAMGRDWRW-UHFFFAOYSA-N 1 1 393.447 3.481 20 5 GGBDMO Cc1cc([N+](=O)[O-])cnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908267 721744446 /nfs/dbraw/zinc/74/44/46/721744446.db2.gz GHAWZSAMGRDWRW-UHFFFAOYSA-N 1 1 393.447 3.481 20 5 GGBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001164910046 721749046 /nfs/dbraw/zinc/74/90/46/721749046.db2.gz ZLASXYNFRDBVCA-UHFFFAOYSA-N 1 1 397.410 3.312 20 5 GGBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001164910046 721749049 /nfs/dbraw/zinc/74/90/49/721749049.db2.gz ZLASXYNFRDBVCA-UHFFFAOYSA-N 1 1 397.410 3.312 20 5 GGBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165023997 721800758 /nfs/dbraw/zinc/80/07/58/721800758.db2.gz KPIIEKGOSAEMLG-VDGAXYAQSA-N 1 1 381.480 3.430 20 5 GGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001165025855 721804958 /nfs/dbraw/zinc/80/49/58/721804958.db2.gz POPAOAZGCXDZAE-FHLIZLRMSA-N 1 1 385.443 3.261 20 5 GGBDMO Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165028799 721805431 /nfs/dbraw/zinc/80/54/31/721805431.db2.gz ZSLRFMBQVABGIC-WDSOQIARSA-N 1 1 381.480 3.430 20 5 GGBDMO Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165028796 721805471 /nfs/dbraw/zinc/80/54/71/721805471.db2.gz ZSLRFMBQVABGIC-UHOSZYNNSA-N 1 1 381.480 3.430 20 5 GGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC001165026900 721808551 /nfs/dbraw/zinc/80/85/51/721808551.db2.gz SDKGJJOZFQGTSR-DKSSEZFCSA-N 1 1 385.443 3.261 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164923638 721868296 /nfs/dbraw/zinc/86/82/96/721868296.db2.gz JICDLFHWJFXZID-SJORKVTESA-N 1 1 389.887 3.011 20 5 GGBDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164923638 721868297 /nfs/dbraw/zinc/86/82/97/721868297.db2.gz JICDLFHWJFXZID-SJORKVTESA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164923635 721868367 /nfs/dbraw/zinc/86/83/67/721868367.db2.gz JICDLFHWJFXZID-DLBZAZTESA-N 1 1 389.887 3.011 20 5 GGBDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164923635 721868369 /nfs/dbraw/zinc/86/83/69/721868369.db2.gz JICDLFHWJFXZID-DLBZAZTESA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164923636 721868465 /nfs/dbraw/zinc/86/84/65/721868465.db2.gz JICDLFHWJFXZID-IAGOWNOFSA-N 1 1 389.887 3.011 20 5 GGBDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164923636 721868466 /nfs/dbraw/zinc/86/84/66/721868466.db2.gz JICDLFHWJFXZID-IAGOWNOFSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164933317 721888614 /nfs/dbraw/zinc/88/86/14/721888614.db2.gz LZNHAJLRIHGMTR-ZWKOTPCHSA-N 1 1 399.470 3.011 20 5 GGBDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164933317 721888615 /nfs/dbraw/zinc/88/86/15/721888615.db2.gz LZNHAJLRIHGMTR-ZWKOTPCHSA-N 1 1 399.470 3.011 20 5 GGBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(C)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940996 721922573 /nfs/dbraw/zinc/92/25/73/721922573.db2.gz YKRANFIRPAZLFA-UHFFFAOYSA-N 1 1 396.491 3.478 20 5 GGBDMO Cc1cc(Cl)nc(N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001165044928 721954569 /nfs/dbraw/zinc/95/45/69/721954569.db2.gz RKBNKNZWNHTTBB-UHFFFAOYSA-N 1 1 376.844 3.153 20 5 GGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044697 721955765 /nfs/dbraw/zinc/95/57/65/721955765.db2.gz OTOCOKUEWIJIHP-UHFFFAOYSA-N 1 1 397.262 3.498 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953759 722018516 /nfs/dbraw/zinc/01/85/16/722018516.db2.gz YDPRPCDWYAGAJE-UHFFFAOYSA-N 1 1 381.480 3.494 20 5 GGBDMO Cc1c(C)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164953851 722018610 /nfs/dbraw/zinc/01/86/10/722018610.db2.gz ZQDIXZOYSSXHQI-UHFFFAOYSA-N 1 1 381.480 3.494 20 5 GGBDMO O=[N+]([O-])c1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc2[nH]ccc21 ZINC001164956199 722020243 /nfs/dbraw/zinc/02/02/43/722020243.db2.gz XVOALBXWTZUDLP-UHFFFAOYSA-N 1 1 392.463 3.359 20 5 GGBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993684 722191796 /nfs/dbraw/zinc/19/17/96/722191796.db2.gz HOTHVHBRKDLNOC-SFHVURJKSA-N 1 1 391.834 3.422 20 5 GGBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164993684 722191798 /nfs/dbraw/zinc/19/17/98/722191798.db2.gz HOTHVHBRKDLNOC-SFHVURJKSA-N 1 1 391.834 3.422 20 5 GGBDMO COc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164993939 722195740 /nfs/dbraw/zinc/19/57/40/722195740.db2.gz JODRDARAHKHMKD-HXUWFJFHSA-N 1 1 386.427 3.382 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000040082229 205050098 /nfs/dbraw/zinc/05/00/98/205050098.db2.gz QPMAWVMMZXUPIE-IYBDPMFKSA-N 1 1 395.459 3.407 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000040082229 205050102 /nfs/dbraw/zinc/05/01/02/205050102.db2.gz QPMAWVMMZXUPIE-IYBDPMFKSA-N 1 1 395.459 3.407 20 5 GGBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000052620260 205133209 /nfs/dbraw/zinc/13/32/09/205133209.db2.gz AOWSHKSCOCMIOV-KRWDZBQOSA-N 1 1 398.463 3.294 20 5 GGBDMO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000052620260 205133212 /nfs/dbraw/zinc/13/32/12/205133212.db2.gz AOWSHKSCOCMIOV-KRWDZBQOSA-N 1 1 398.463 3.294 20 5 GGBDMO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000052620260 205133214 /nfs/dbraw/zinc/13/32/14/205133214.db2.gz AOWSHKSCOCMIOV-KRWDZBQOSA-N 1 1 398.463 3.294 20 5 GGBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000052620257 205133890 /nfs/dbraw/zinc/13/38/90/205133890.db2.gz AOWSHKSCOCMIOV-QGZVFWFLSA-N 1 1 398.463 3.294 20 5 GGBDMO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000052620257 205133893 /nfs/dbraw/zinc/13/38/93/205133893.db2.gz AOWSHKSCOCMIOV-QGZVFWFLSA-N 1 1 398.463 3.294 20 5 GGBDMO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000052620257 205133897 /nfs/dbraw/zinc/13/38/97/205133897.db2.gz AOWSHKSCOCMIOV-QGZVFWFLSA-N 1 1 398.463 3.294 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[N@@H+]1CCc2sccc2C1 ZINC000117764667 564232230 /nfs/dbraw/zinc/23/22/30/564232230.db2.gz FOBFYSVRLUZJEX-UHFFFAOYSA-N 1 1 379.869 3.027 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[N@H+]1CCc2sccc2C1 ZINC000117764667 564232231 /nfs/dbraw/zinc/23/22/31/564232231.db2.gz FOBFYSVRLUZJEX-UHFFFAOYSA-N 1 1 379.869 3.027 20 5 GGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120100874 564305172 /nfs/dbraw/zinc/30/51/72/564305172.db2.gz VFIMBWXLSDVELQ-GFCCVEGCSA-N 1 1 384.274 3.208 20 5 GGBDMO C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027350085 564354049 /nfs/dbraw/zinc/35/40/49/564354049.db2.gz OZTAUPXNRYYZJK-UHFFFAOYSA-N 1 1 378.226 3.088 20 5 GGBDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027350085 564354051 /nfs/dbraw/zinc/35/40/51/564354051.db2.gz OZTAUPXNRYYZJK-UHFFFAOYSA-N 1 1 378.226 3.088 20 5 GGBDMO CN(C(=O)C[N@H+](C)Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000028935040 564366010 /nfs/dbraw/zinc/36/60/10/564366010.db2.gz AZODJKZODMQMOG-UHFFFAOYSA-N 1 1 392.253 3.452 20 5 GGBDMO CN(C(=O)C[N@@H+](C)Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000028935040 564366013 /nfs/dbraw/zinc/36/60/13/564366013.db2.gz AZODJKZODMQMOG-UHFFFAOYSA-N 1 1 392.253 3.452 20 5 GGBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000121577071 564375922 /nfs/dbraw/zinc/37/59/22/564375922.db2.gz IDBFHOQBRRHSFP-NSHDSACASA-N 1 1 382.258 3.104 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000032428855 564399843 /nfs/dbraw/zinc/39/98/43/564399843.db2.gz RFICZXDUWVTYGS-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000032428855 564399845 /nfs/dbraw/zinc/39/98/45/564399845.db2.gz RFICZXDUWVTYGS-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122472514 564415570 /nfs/dbraw/zinc/41/55/70/564415570.db2.gz KHKYKMQVRMEDMP-CQSZACIVSA-N 1 1 384.274 3.304 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123776459 564461492 /nfs/dbraw/zinc/46/14/92/564461492.db2.gz QNGKSIYEDQEBOU-KGLIPLIRSA-N 1 1 382.258 3.056 20 5 GGBDMO Cc1c(Br)cc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000123966443 564467424 /nfs/dbraw/zinc/46/74/24/564467424.db2.gz BNOJCSFJKBNLFZ-LBPRGKRZSA-N 1 1 384.274 3.080 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000124382110 564480817 /nfs/dbraw/zinc/48/08/17/564480817.db2.gz TTWHLTWYGINCKT-CYBMUJFWSA-N 1 1 398.301 3.455 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000124857428 564495536 /nfs/dbraw/zinc/49/55/36/564495536.db2.gz AZQXGKUDHYZIIG-OAHLLOKOSA-N 1 1 384.274 3.078 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000124857428 564495541 /nfs/dbraw/zinc/49/55/41/564495541.db2.gz AZQXGKUDHYZIIG-OAHLLOKOSA-N 1 1 384.274 3.078 20 5 GGBDMO Cc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000125086759 564502503 /nfs/dbraw/zinc/50/25/03/564502503.db2.gz AUYCAPKSURGLPF-HZMBPMFUSA-N 1 1 384.274 3.078 20 5 GGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000125913105 564530996 /nfs/dbraw/zinc/53/09/96/564530996.db2.gz BYSOFBRSTMUYRT-GFCCVEGCSA-N 1 1 384.274 3.080 20 5 GGBDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000130936089 564696998 /nfs/dbraw/zinc/69/69/98/564696998.db2.gz QVYZJSSIKWYNCY-UHFFFAOYSA-N 1 1 383.857 3.005 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000131247385 564706397 /nfs/dbraw/zinc/70/63/97/564706397.db2.gz BHSJWCLUVVRKKQ-INIZCTEOSA-N 1 1 392.253 3.356 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000131247385 564706401 /nfs/dbraw/zinc/70/64/01/564706401.db2.gz BHSJWCLUVVRKKQ-INIZCTEOSA-N 1 1 392.253 3.356 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000132534178 564745963 /nfs/dbraw/zinc/74/59/63/564745963.db2.gz MBFSISJKYDIKAK-INIZCTEOSA-N 1 1 392.253 3.356 20 5 GGBDMO CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC000093815434 564890367 /nfs/dbraw/zinc/89/03/67/564890367.db2.gz UWJZMSNSYWBAGF-MRXNPFEDSA-N 1 1 381.226 3.228 20 5 GGBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000096482956 564902223 /nfs/dbraw/zinc/90/22/23/564902223.db2.gz GQGLFSZDPUOZRI-NSHDSACASA-N 1 1 389.237 3.342 20 5 GGBDMO C[C@H]1C[C@H](Nc2ccc(I)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000097635712 564909363 /nfs/dbraw/zinc/90/93/63/564909363.db2.gz IYBHEEIKIATDLX-GXSJLCMTSA-N 1 1 375.210 3.094 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000152611056 564965230 /nfs/dbraw/zinc/96/52/30/564965230.db2.gz CNUDQXGUGHQISN-CYBMUJFWSA-N 1 1 396.285 3.033 20 5 GGBDMO O=[N+]([O-])c1cc(I)ccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000107815952 565003511 /nfs/dbraw/zinc/00/35/11/565003511.db2.gz FGEZAUCQHUKHKW-JTQLQIEISA-N 1 1 387.221 3.096 20 5 GGBDMO CCCC[N@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000109333500 565023908 /nfs/dbraw/zinc/02/39/08/565023908.db2.gz BYXZUFMGWFWXGU-UHFFFAOYSA-N 1 1 388.262 3.044 20 5 GGBDMO CCCC[N@@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000109333500 565023910 /nfs/dbraw/zinc/02/39/10/565023910.db2.gz BYXZUFMGWFWXGU-UHFFFAOYSA-N 1 1 388.262 3.044 20 5 GGBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000155108211 565061897 /nfs/dbraw/zinc/06/18/97/565061897.db2.gz DUNARSZUJUXPEK-NWDGAFQWSA-N 1 1 383.246 3.058 20 5 GGBDMO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000113350361 565069334 /nfs/dbraw/zinc/06/93/34/565069334.db2.gz IMZOTMWPULYLEC-LLVKDONJSA-N 1 1 386.857 3.421 20 5 GGBDMO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000113350363 565069431 /nfs/dbraw/zinc/06/94/31/565069431.db2.gz IMZOTMWPULYLEC-NSHDSACASA-N 1 1 386.857 3.421 20 5 GGBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267272369 565112528 /nfs/dbraw/zinc/11/25/28/565112528.db2.gz SOVBIFBNFIKCDU-NSHDSACASA-N 1 1 380.246 3.353 20 5 GGBDMO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000372210428 565226727 /nfs/dbraw/zinc/22/67/27/565226727.db2.gz GSNLUSMVIHWRRE-LBPRGKRZSA-N 1 1 383.246 3.059 20 5 GGBDMO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000271207304 565243011 /nfs/dbraw/zinc/24/30/11/565243011.db2.gz WVKIOAVDPCMENR-LBPRGKRZSA-N 1 1 383.242 3.132 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272787401 565296937 /nfs/dbraw/zinc/29/69/37/565296937.db2.gz SPODNQYXGWVFEP-NSHDSACASA-N 1 1 382.258 3.046 20 5 GGBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000373778756 565302669 /nfs/dbraw/zinc/30/26/69/565302669.db2.gz CUKXQFWEMJWZIN-CQSZACIVSA-N 1 1 390.237 3.274 20 5 GGBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000373778756 565302671 /nfs/dbraw/zinc/30/26/71/565302671.db2.gz CUKXQFWEMJWZIN-CQSZACIVSA-N 1 1 390.237 3.274 20 5 GGBDMO COc1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c([N+](=O)[O-])cc1F ZINC000274292227 565364953 /nfs/dbraw/zinc/36/49/53/565364953.db2.gz HAPSBZXNUCCDQF-AWEZNQCLSA-N 1 1 399.216 3.328 20 5 GGBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301158136 565468456 /nfs/dbraw/zinc/46/84/56/565468456.db2.gz OEYVWQJYHLGLJS-CYBMUJFWSA-N 1 1 385.306 3.043 20 5 GGBDMO CC(C)[C@H](CNc1cc(Br)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000301328207 565479291 /nfs/dbraw/zinc/47/92/91/565479291.db2.gz CJEIRAKATVHQDZ-INIZCTEOSA-N 1 1 385.306 3.041 20 5 GGBDMO C[C@@H]1C[N@H+](CCCCNc2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301659639 565501859 /nfs/dbraw/zinc/50/18/59/565501859.db2.gz TWCCLMITUKVXIG-TXEJJXNPSA-N 1 1 387.278 3.054 20 5 GGBDMO O=[N+]([O-])c1cc(Br)cnc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000301669388 565503357 /nfs/dbraw/zinc/50/33/57/565503357.db2.gz DQDVGCOOBSUVMJ-UHFFFAOYSA-N 1 1 399.289 3.199 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000301754483 565509633 /nfs/dbraw/zinc/50/96/33/565509633.db2.gz CNUHKMDFPSTPJG-NHYWBVRUSA-N 1 1 381.274 3.205 20 5 GGBDMO O=[N+]([O-])c1cncc(Br)c1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000301829548 565512548 /nfs/dbraw/zinc/51/25/48/565512548.db2.gz GXJUMESCBNXLLP-UHFFFAOYSA-N 1 1 391.269 3.465 20 5 GGBDMO O=[N+]([O-])c1cncc(Br)c1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000301829548 565512552 /nfs/dbraw/zinc/51/25/52/565512552.db2.gz GXJUMESCBNXLLP-UHFFFAOYSA-N 1 1 391.269 3.465 20 5 GGBDMO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301872575 565515807 /nfs/dbraw/zinc/51/58/07/565515807.db2.gz DFNLUSNVOFILOP-FZMZJTMJSA-N 1 1 381.274 3.205 20 5 GGBDMO O=[N+]([O-])c1cncc(Br)c1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000301871974 565515931 /nfs/dbraw/zinc/51/59/31/565515931.db2.gz DFNLUSNVOFILOP-BXUZGUMPSA-N 1 1 381.274 3.205 20 5 GGBDMO Cc1ccc([C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000301936506 565519875 /nfs/dbraw/zinc/51/98/75/565519875.db2.gz QEMJIVDZOMUGRB-AWEZNQCLSA-N 1 1 383.495 3.083 20 5 GGBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302402617 565540609 /nfs/dbraw/zinc/54/06/09/565540609.db2.gz FVDKWBQSTYENNG-VNHYZAJKSA-N 1 1 398.301 3.435 20 5 GGBDMO C[C@@H](O)C[N@H+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000302384262 565541023 /nfs/dbraw/zinc/54/10/23/565541023.db2.gz AJJQWTHUBSWNPD-NXEZZACHSA-N 1 1 381.782 3.158 20 5 GGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000302609279 565547658 /nfs/dbraw/zinc/54/76/58/565547658.db2.gz BGXPYMBALFFIEZ-ZDUSSCGKSA-N 1 1 385.306 3.043 20 5 GGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000302709979 565550741 /nfs/dbraw/zinc/55/07/41/565550741.db2.gz ZDVWMUMJCFYEGZ-ZDUSSCGKSA-N 1 1 385.306 3.043 20 5 GGBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278823798 565579939 /nfs/dbraw/zinc/57/99/39/565579939.db2.gz YGLRCMFHCPCKOJ-CYBMUJFWSA-N 1 1 398.301 3.042 20 5 GGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1(c2ccc(Br)cc2)CC1 ZINC000174872913 565664356 /nfs/dbraw/zinc/66/43/56/565664356.db2.gz GMGXPSZFTLBJFG-UHFFFAOYSA-N 1 1 379.258 3.217 20 5 GGBDMO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000280342340 565666756 /nfs/dbraw/zinc/66/67/56/565666756.db2.gz IKDJOILMAVHXBA-LLVKDONJSA-N 1 1 393.241 3.066 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000280526898 565677258 /nfs/dbraw/zinc/67/72/58/565677258.db2.gz OQPCTMPVHHKCSF-LLVKDONJSA-N 1 1 393.241 3.350 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192359005 565682689 /nfs/dbraw/zinc/68/26/89/565682689.db2.gz XQGCFLPYWWFFJI-LBPRGKRZSA-N 1 1 384.274 3.161 20 5 GGBDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000280617482 565684031 /nfs/dbraw/zinc/68/40/31/565684031.db2.gz WHSOKISRWLYKBU-GHMZBOCLSA-N 1 1 393.241 3.430 20 5 GGBDMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000280617486 565684036 /nfs/dbraw/zinc/68/40/36/565684036.db2.gz WHSOKISRWLYKBU-QWRGUYRKSA-N 1 1 393.241 3.430 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000330463188 565707424 /nfs/dbraw/zinc/70/74/24/565707424.db2.gz CEUOZPRSVLANDO-GFCCVEGCSA-N 1 1 384.274 3.222 20 5 GGBDMO C[N@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315974 565744301 /nfs/dbraw/zinc/74/43/01/565744301.db2.gz AVGLDTOHPZQHCB-OAHLLOKOSA-N 1 1 395.253 3.229 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000331530361 565765551 /nfs/dbraw/zinc/76/55/51/565765551.db2.gz PEJOPCBVNCJXAL-MWLCHTKSSA-N 1 1 382.258 3.021 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000332405739 565835570 /nfs/dbraw/zinc/83/55/70/565835570.db2.gz BRHXUNGMVTYVID-UHFFFAOYSA-N 1 1 379.258 3.470 20 5 GGBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000332496229 565840544 /nfs/dbraw/zinc/84/05/44/565840544.db2.gz BVULCPCLHYJHGU-WCQYABFASA-N 1 1 382.258 3.056 20 5 GGBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332509486 565841432 /nfs/dbraw/zinc/84/14/32/565841432.db2.gz HJBWBXKZZMAYRG-FZMZJTMJSA-N 1 1 382.258 3.056 20 5 GGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177286784 565841512 /nfs/dbraw/zinc/84/15/12/565841512.db2.gz VZXJCRHACMYZBO-CYBMUJFWSA-N 1 1 384.274 3.352 20 5 GGBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332509489 565841754 /nfs/dbraw/zinc/84/17/54/565841754.db2.gz HJBWBXKZZMAYRG-RISCZKNCSA-N 1 1 382.258 3.056 20 5 GGBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000332597142 565846137 /nfs/dbraw/zinc/84/61/37/565846137.db2.gz PPCMDSXOSHIRGQ-STQMWFEESA-N 1 1 396.285 3.365 20 5 GGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332595748 565846317 /nfs/dbraw/zinc/84/63/17/565846317.db2.gz GQMLTZGJCUSYAB-OLZOCXBDSA-N 1 1 382.258 3.056 20 5 GGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000178740407 565935094 /nfs/dbraw/zinc/93/50/94/565935094.db2.gz GGAPRVNTRYJOKC-JTQLQIEISA-N 1 1 395.257 3.237 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286293406 565951792 /nfs/dbraw/zinc/95/17/92/565951792.db2.gz SBDRIFZCUPFOEK-FUNVUKJBSA-N 1 1 396.285 3.363 20 5 GGBDMO C[N@@H+](CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000179566017 565990510 /nfs/dbraw/zinc/99/05/10/565990510.db2.gz POPIQCSKVFRDAS-UHFFFAOYSA-N 1 1 375.516 3.126 20 5 GGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246156478 566018757 /nfs/dbraw/zinc/01/87/57/566018757.db2.gz IFMKNVXAWQGACI-STQMWFEESA-N 1 1 398.301 3.136 20 5 GGBDMO C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000287542880 566024788 /nfs/dbraw/zinc/02/47/88/566024788.db2.gz BQYCPZJNIOEXJB-IAQYHMDHSA-N 1 1 383.495 3.163 20 5 GGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000246400820 566027936 /nfs/dbraw/zinc/02/79/36/566027936.db2.gz ALDYSCUOIGBHKX-NEPJUHHUSA-N 1 1 384.274 3.208 20 5 GGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000180553035 566072719 /nfs/dbraw/zinc/07/27/19/566072719.db2.gz WIZHXISWECKKPO-GFCCVEGCSA-N 1 1 384.274 3.208 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180572178 566074005 /nfs/dbraw/zinc/07/40/05/566074005.db2.gz XFPBWKRQROQCEU-UHFFFAOYSA-N 1 1 381.230 3.072 20 5 GGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000248372633 566076023 /nfs/dbraw/zinc/07/60/23/566076023.db2.gz BDOJAFRRZWKKPJ-JSGCOSHPSA-N 1 1 383.901 3.283 20 5 GGBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181073578 566110469 /nfs/dbraw/zinc/11/04/69/566110469.db2.gz UCXKTJRYDQOAFD-MRXNPFEDSA-N 1 1 392.253 3.058 20 5 GGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181073578 566110473 /nfs/dbraw/zinc/11/04/73/566110473.db2.gz UCXKTJRYDQOAFD-MRXNPFEDSA-N 1 1 392.253 3.058 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366603399 566161264 /nfs/dbraw/zinc/16/12/64/566161264.db2.gz MTRXJOCEQZACFL-CHWSQXEVSA-N 1 1 382.258 3.022 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000366603402 566161408 /nfs/dbraw/zinc/16/14/08/566161408.db2.gz MTRXJOCEQZACFL-STQMWFEESA-N 1 1 382.258 3.022 20 5 GGBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000181749648 566163218 /nfs/dbraw/zinc/16/32/18/566163218.db2.gz SMZLBIYOSGTJAQ-MRXNPFEDSA-N 1 1 383.857 3.137 20 5 GGBDMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000181922891 566173859 /nfs/dbraw/zinc/17/38/59/566173859.db2.gz NHTNUULFGZMVPV-NSHDSACASA-N 1 1 383.857 3.007 20 5 GGBDMO COCCCC[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000418140080 566200380 /nfs/dbraw/zinc/20/03/80/566200380.db2.gz FJIQOQYYMOXOCE-UHFFFAOYSA-N 1 1 378.210 3.058 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183041837 566236775 /nfs/dbraw/zinc/23/67/75/566236775.db2.gz SXRHUEBMOOYJGN-KGLIPLIRSA-N 1 1 383.901 3.426 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000555810324 566252831 /nfs/dbraw/zinc/25/28/31/566252831.db2.gz RESXNWMDAWKLMK-LBPRGKRZSA-N 1 1 384.274 3.126 20 5 GGBDMO C[N@H+](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000462275731 566273898 /nfs/dbraw/zinc/27/38/98/566273898.db2.gz KRVVZOFDELPMPY-UHFFFAOYSA-N 1 1 396.296 3.054 20 5 GGBDMO C[N@@H+](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000462275731 566273906 /nfs/dbraw/zinc/27/39/06/566273906.db2.gz KRVVZOFDELPMPY-UHFFFAOYSA-N 1 1 396.296 3.054 20 5 GGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599666711 566284166 /nfs/dbraw/zinc/28/41/66/566284166.db2.gz BRCABKLGHNZNML-GFCCVEGCSA-N 1 1 384.274 3.065 20 5 GGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599827449 566299090 /nfs/dbraw/zinc/29/90/90/566299090.db2.gz BNRCEASRQGDYDU-GFCCVEGCSA-N 1 1 382.258 3.104 20 5 GGBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(Br)c1 ZINC000535583422 566313564 /nfs/dbraw/zinc/31/35/64/566313564.db2.gz SJMKAUCXSZRCGP-UHFFFAOYSA-N 1 1 394.269 3.430 20 5 GGBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCCC[C@H]1C ZINC000445823053 566313936 /nfs/dbraw/zinc/31/39/36/566313936.db2.gz ZYOJQNAQCNBYKK-CHWSQXEVSA-N 1 1 398.301 3.279 20 5 GGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600102502 566315803 /nfs/dbraw/zinc/31/58/03/566315803.db2.gz MNOMBMCEIQUCPD-LBPRGKRZSA-N 1 1 396.285 3.494 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600119636 566317352 /nfs/dbraw/zinc/31/73/52/566317352.db2.gz QZPLKYMLHKPSDL-ZDUSSCGKSA-N 1 1 396.285 3.209 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000509632386 566322364 /nfs/dbraw/zinc/32/23/64/566322364.db2.gz GUDQKLXWKPFPNF-KGLIPLIRSA-N 1 1 382.258 3.022 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000509632388 566322726 /nfs/dbraw/zinc/32/27/26/566322726.db2.gz GUDQKLXWKPFPNF-ZIAGYGMSSA-N 1 1 382.258 3.022 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000576286057 566331654 /nfs/dbraw/zinc/33/16/54/566331654.db2.gz HEBWKZHLMCZOMM-ZDUSSCGKSA-N 1 1 398.301 3.373 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2Cc2ccccc2Br)n1 ZINC000420980636 566334462 /nfs/dbraw/zinc/33/44/62/566334462.db2.gz XCICFLJQXMWSMS-AWEZNQCLSA-N 1 1 379.258 3.261 20 5 GGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000446273463 566339630 /nfs/dbraw/zinc/33/96/30/566339630.db2.gz AHOVHNCXIFMUCB-OCCSQVGLSA-N 1 1 398.301 3.231 20 5 GGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000446273464 566340498 /nfs/dbraw/zinc/34/04/98/566340498.db2.gz AHOVHNCXIFMUCB-TZMCWYRMSA-N 1 1 398.301 3.231 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000482978706 566348889 /nfs/dbraw/zinc/34/88/89/566348889.db2.gz KYVCCPQJUUXRHH-LLVKDONJSA-N 1 1 393.241 3.350 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000482978708 566348959 /nfs/dbraw/zinc/34/89/59/566348959.db2.gz KYVCCPQJUUXRHH-NSHDSACASA-N 1 1 393.241 3.350 20 5 GGBDMO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000462824225 566355045 /nfs/dbraw/zinc/35/50/45/566355045.db2.gz CUHMMWMDNVZOLI-SNVBAGLBSA-N 1 1 378.210 3.056 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000510479889 566386351 /nfs/dbraw/zinc/38/63/51/566386351.db2.gz QOTRLVWZQSMGDL-ZDUSSCGKSA-N 1 1 396.285 3.412 20 5 GGBDMO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000510522943 566391012 /nfs/dbraw/zinc/39/10/12/566391012.db2.gz RRDKQYGKPJVIOU-UHFFFAOYSA-N 1 1 389.905 3.135 20 5 GGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@H+](C2CCC2)C1 ZINC000557836870 566426574 /nfs/dbraw/zinc/42/65/74/566426574.db2.gz CMQZNKKXYDYBFQ-LBPRGKRZSA-N 1 1 396.285 3.304 20 5 GGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1Br ZINC000511108175 566437293 /nfs/dbraw/zinc/43/72/93/566437293.db2.gz PHUAQCCNZXFUBS-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1Br ZINC000511108175 566437295 /nfs/dbraw/zinc/43/72/95/566437295.db2.gz PHUAQCCNZXFUBS-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558028020 566443603 /nfs/dbraw/zinc/44/36/03/566443603.db2.gz ZQRQVKRHHWVODI-HWWQOWPSSA-N 1 1 396.285 3.160 20 5 GGBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000577826395 566467495 /nfs/dbraw/zinc/46/74/95/566467495.db2.gz NUHNADAYTMOZDN-UHFFFAOYSA-N 1 1 396.285 3.305 20 5 GGBDMO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)cn1 ZINC000602483119 566474159 /nfs/dbraw/zinc/47/41/59/566474159.db2.gz LGXOYGZFTMAWBN-JTQLQIEISA-N 1 1 385.287 3.217 20 5 GGBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C2)cn1 ZINC000602483119 566474161 /nfs/dbraw/zinc/47/41/61/566474161.db2.gz LGXOYGZFTMAWBN-JTQLQIEISA-N 1 1 385.287 3.217 20 5 GGBDMO CC(C)[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)N1CCCC1 ZINC000602548900 566478052 /nfs/dbraw/zinc/47/80/52/566478052.db2.gz WOLCETYHUBCQSY-LBPRGKRZSA-N 1 1 390.303 3.155 20 5 GGBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000485140162 566479193 /nfs/dbraw/zinc/47/91/93/566479193.db2.gz HKDTYDXXJQIAOQ-UHFFFAOYSA-N 1 1 385.283 3.456 20 5 GGBDMO CC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H](O)C(F)(F)F ZINC000602582832 566479376 /nfs/dbraw/zinc/47/93/76/566479376.db2.gz XXSWYDAQBMHWIX-HTQZYQBOSA-N 1 1 377.182 3.210 20 5 GGBDMO CC(=O)NC1CCC([N@@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602609094 566479523 /nfs/dbraw/zinc/47/95/23/566479523.db2.gz RFXUEAXADGZDEC-UHFFFAOYSA-N 1 1 390.303 3.298 20 5 GGBDMO C[C@H]1C[N@@H+](CCCNCc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602632379 566481394 /nfs/dbraw/zinc/48/13/94/566481394.db2.gz IMAHWYKYPYVZCG-NSHDSACASA-N 1 1 392.319 3.009 20 5 GGBDMO C[C@@H]1C[N@@H+](CCCNCc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602632376 566482020 /nfs/dbraw/zinc/48/20/20/566482020.db2.gz IMAHWYKYPYVZCG-LLVKDONJSA-N 1 1 392.319 3.009 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000578227931 566503825 /nfs/dbraw/zinc/50/38/25/566503825.db2.gz VHPXVVVSJHGTDT-CYBMUJFWSA-N 1 1 396.285 3.412 20 5 GGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000559491143 566552711 /nfs/dbraw/zinc/55/27/11/566552711.db2.gz GHOYSULVSFSSOO-JTQLQIEISA-N 1 1 395.257 3.237 20 5 GGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@H]1C ZINC000579137091 566582944 /nfs/dbraw/zinc/58/29/44/566582944.db2.gz BHLDUVOZYGVAPD-MNOVXSKESA-N 1 1 384.274 3.220 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+](CCO)C3CCSCC3)cs2)c1 ZINC000449687252 566594282 /nfs/dbraw/zinc/59/42/82/566594282.db2.gz OSEQKIVGIOOEBO-UHFFFAOYSA-N 1 1 379.507 3.408 20 5 GGBDMO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1Br ZINC000560095669 566597154 /nfs/dbraw/zinc/59/71/54/566597154.db2.gz GOVUKRWZDCEXJY-UHFFFAOYSA-N 1 1 380.242 3.041 20 5 GGBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1Br ZINC000560095669 566597160 /nfs/dbraw/zinc/59/71/60/566597160.db2.gz GOVUKRWZDCEXJY-UHFFFAOYSA-N 1 1 380.242 3.041 20 5 GGBDMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425398609 566637302 /nfs/dbraw/zinc/63/73/02/566637302.db2.gz NPNDGSJMWLLWGY-AWEZNQCLSA-N 1 1 398.301 3.486 20 5 GGBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425398609 566637314 /nfs/dbraw/zinc/63/73/14/566637314.db2.gz NPNDGSJMWLLWGY-AWEZNQCLSA-N 1 1 398.301 3.486 20 5 GGBDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425398610 566637735 /nfs/dbraw/zinc/63/77/35/566637735.db2.gz NPNDGSJMWLLWGY-CQSZACIVSA-N 1 1 398.301 3.486 20 5 GGBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425398610 566637742 /nfs/dbraw/zinc/63/77/42/566637742.db2.gz NPNDGSJMWLLWGY-CQSZACIVSA-N 1 1 398.301 3.486 20 5 GGBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425401837 566640263 /nfs/dbraw/zinc/64/02/63/566640263.db2.gz QRQPHDLTNZBPSU-ZDUSSCGKSA-N 1 1 384.274 3.096 20 5 GGBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425401837 566640266 /nfs/dbraw/zinc/64/02/66/566640266.db2.gz QRQPHDLTNZBPSU-ZDUSSCGKSA-N 1 1 384.274 3.096 20 5 GGBDMO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425455297 566645476 /nfs/dbraw/zinc/64/54/76/566645476.db2.gz GEBPWLNVCUVHNS-CQSZACIVSA-N 1 1 384.274 3.238 20 5 GGBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425455297 566645481 /nfs/dbraw/zinc/64/54/81/566645481.db2.gz GEBPWLNVCUVHNS-CQSZACIVSA-N 1 1 384.274 3.238 20 5 GGBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000514542555 566653317 /nfs/dbraw/zinc/65/33/17/566653317.db2.gz DMKKEKOEBGSPSG-NWDGAFQWSA-N 1 1 389.905 3.098 20 5 GGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000468471220 566703880 /nfs/dbraw/zinc/70/38/80/566703880.db2.gz UDZOSBPBXLWNGI-HNNXBMFYSA-N 1 1 398.301 3.136 20 5 GGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000468473493 566704390 /nfs/dbraw/zinc/70/43/90/566704390.db2.gz XMNULFLAQDIAEJ-CQSZACIVSA-N 1 1 384.274 3.208 20 5 GGBDMO COc1cc(C[N@H+](CCO)Cc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000488184781 566712839 /nfs/dbraw/zinc/71/28/39/566712839.db2.gz JLKIAAQXJRSADP-UHFFFAOYSA-N 1 1 395.253 3.360 20 5 GGBDMO COc1cc(C[N@@H+](CCO)Cc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000488184781 566712840 /nfs/dbraw/zinc/71/28/40/566712840.db2.gz JLKIAAQXJRSADP-UHFFFAOYSA-N 1 1 395.253 3.360 20 5 GGBDMO C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000561527807 566715058 /nfs/dbraw/zinc/71/50/58/566715058.db2.gz SNRKTRDPNYYMHY-GFCCVEGCSA-N 1 1 396.285 3.304 20 5 GGBDMO O=[N+]([O-])c1cccc(OCC[N@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488227772 566715343 /nfs/dbraw/zinc/71/53/43/566715343.db2.gz GRFDORUZMMQMKO-UHFFFAOYSA-N 1 1 395.253 3.231 20 5 GGBDMO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000561527674 566715487 /nfs/dbraw/zinc/71/54/87/566715487.db2.gz LXTXOWZEMIEBLQ-LBPRGKRZSA-N 1 1 396.285 3.304 20 5 GGBDMO Cc1c(Br)c(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000488764442 566746588 /nfs/dbraw/zinc/74/65/88/566746588.db2.gz LRNUWKQXJQMQHP-LLVKDONJSA-N 1 1 383.290 3.371 20 5 GGBDMO CC[N@@H+](CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427244614 566759172 /nfs/dbraw/zinc/75/91/72/566759172.db2.gz WGUFPGVBHKZODM-UHFFFAOYSA-N 1 1 379.404 3.321 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000489309439 566779514 /nfs/dbraw/zinc/77/95/14/566779514.db2.gz AHFAAEDYLYHINJ-HNNXBMFYSA-N 1 1 384.274 3.078 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000609855631 566789931 /nfs/dbraw/zinc/78/99/31/566789931.db2.gz MYDPDQYOVQIBGH-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000609855631 566789939 /nfs/dbraw/zinc/78/99/39/566789939.db2.gz MYDPDQYOVQIBGH-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCCC[C@@H]1C ZINC000610040522 566800117 /nfs/dbraw/zinc/80/01/17/566800117.db2.gz ZAEVKFOTNGTSGQ-RYUDHWBXSA-N 1 1 384.274 3.350 20 5 GGBDMO Cn1cc[nH+]c1N1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000427980613 566807484 /nfs/dbraw/zinc/80/74/84/566807484.db2.gz BQYAVXCHJJAHRS-UHFFFAOYSA-N 1 1 380.246 3.172 20 5 GGBDMO CSc1cccc(F)c1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000517558146 566831292 /nfs/dbraw/zinc/83/12/92/566831292.db2.gz BJALEBTVECVHLQ-UHFFFAOYSA-N 1 1 384.454 3.019 20 5 GGBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[nH+]1 ZINC000517595393 566834000 /nfs/dbraw/zinc/83/40/00/566834000.db2.gz RWYXIEOXNZQPDK-UHFFFAOYSA-N 1 1 393.241 3.211 20 5 GGBDMO O=[N+]([O-])c1cc(Br)ccc1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000610489200 566836804 /nfs/dbraw/zinc/83/68/04/566836804.db2.gz LWEFVNPUCAYSNH-CQSZACIVSA-N 1 1 384.274 3.048 20 5 GGBDMO COC(C)(C)C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000518012319 566860146 /nfs/dbraw/zinc/86/01/46/566860146.db2.gz VOCDFRYNQPCYDK-UHFFFAOYSA-N 1 1 378.210 3.056 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000610770006 566861082 /nfs/dbraw/zinc/86/10/82/566861082.db2.gz HQVLJXPNOIWQHE-HNNXBMFYSA-N 1 1 391.269 3.463 20 5 GGBDMO COCC(C)(C)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000429268176 566919268 /nfs/dbraw/zinc/91/92/68/566919268.db2.gz AFCSCJUOKYAFSZ-UHFFFAOYSA-N 1 1 378.210 3.056 20 5 GGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000544225358 566948576 /nfs/dbraw/zinc/94/85/76/566948576.db2.gz VUVXLSUDLHGBDU-ZDUSSCGKSA-N 1 1 383.901 3.473 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000452175100 566949092 /nfs/dbraw/zinc/94/90/92/566949092.db2.gz RTMCBMFXTNNQCW-NSHDSACASA-N 1 1 396.285 3.222 20 5 GGBDMO C[N@H+](Cc1ccncc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564536101 566983144 /nfs/dbraw/zinc/98/31/44/566983144.db2.gz BLJOCNJRJABCJS-UHFFFAOYSA-N 1 1 383.189 3.226 20 5 GGBDMO C[N@@H+](Cc1ccncc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564536101 566983154 /nfs/dbraw/zinc/98/31/54/566983154.db2.gz BLJOCNJRJABCJS-UHFFFAOYSA-N 1 1 383.189 3.226 20 5 GGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431326703 567075280 /nfs/dbraw/zinc/07/52/80/567075280.db2.gz NSOBKBPDXLFRLF-ZDUSSCGKSA-N 1 1 396.285 3.161 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC=C(c3cccc(Br)c3)CC2)c1 ZINC000545880202 567085503 /nfs/dbraw/zinc/08/55/03/567085503.db2.gz XNXQNKMALPTXPF-UHFFFAOYSA-N 1 1 377.242 3.343 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431502854 567085986 /nfs/dbraw/zinc/08/59/86/567085986.db2.gz SLOWSKQIEVNGDT-LBPRGKRZSA-N 1 1 384.274 3.352 20 5 GGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000431500782 567086192 /nfs/dbraw/zinc/08/61/92/567086192.db2.gz TYSNWYSSMDUURM-FZMZJTMJSA-N 1 1 384.274 3.302 20 5 GGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000431514193 567086218 /nfs/dbraw/zinc/08/62/18/567086218.db2.gz XPBICLAOUBHVRW-CYBMUJFWSA-N 1 1 396.285 3.161 20 5 GGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000431500784 567086276 /nfs/dbraw/zinc/08/62/76/567086276.db2.gz TYSNWYSSMDUURM-RISCZKNCSA-N 1 1 384.274 3.302 20 5 GGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431954741 567120264 /nfs/dbraw/zinc/12/02/64/567120264.db2.gz ZMCCAVYTOGQHBO-CQSZACIVSA-N 1 1 384.274 3.352 20 5 GGBDMO CO[C@@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000589258465 567169941 /nfs/dbraw/zinc/16/99/41/567169941.db2.gz CQCIDZYGZUFPLN-CQSZACIVSA-N 1 1 390.221 3.200 20 5 GGBDMO CO[C@@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000589258465 567169949 /nfs/dbraw/zinc/16/99/49/567169949.db2.gz CQCIDZYGZUFPLN-CQSZACIVSA-N 1 1 390.221 3.200 20 5 GGBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589255820 567170153 /nfs/dbraw/zinc/17/01/53/567170153.db2.gz YDHNDCSVIBADGF-SECBINFHSA-N 1 1 387.177 3.070 20 5 GGBDMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000523908797 567176695 /nfs/dbraw/zinc/17/66/95/567176695.db2.gz QAZRCEITIBZRIW-ZDUSSCGKSA-N 1 1 389.905 3.181 20 5 GGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498550685 567186550 /nfs/dbraw/zinc/18/65/50/567186550.db2.gz QSUOGXCFBJJIRI-MNOVXSKESA-N 1 1 384.274 3.220 20 5 GGBDMO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000566954078 567206770 /nfs/dbraw/zinc/20/67/70/567206770.db2.gz ZVZYXJCYGLNJMN-CYBMUJFWSA-N 1 1 379.258 3.391 20 5 GGBDMO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000566954078 567206777 /nfs/dbraw/zinc/20/67/77/567206777.db2.gz ZVZYXJCYGLNJMN-CYBMUJFWSA-N 1 1 379.258 3.391 20 5 GGBDMO C[N@@H+](CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000524641086 567207592 /nfs/dbraw/zinc/20/75/92/567207592.db2.gz OOALTXPUUGUMSE-UHFFFAOYSA-N 1 1 389.905 3.181 20 5 GGBDMO COc1ccccc1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000567033717 567212342 /nfs/dbraw/zinc/21/23/42/567212342.db2.gz AFTPPBKSKWFKOV-UHFFFAOYSA-N 1 1 398.200 3.498 20 5 GGBDMO CC(C)OCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000567316779 567236974 /nfs/dbraw/zinc/23/69/74/567236974.db2.gz VBLZYDWVDFZWTK-UHFFFAOYSA-N 1 1 388.262 3.043 20 5 GGBDMO CC(C)OCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000567316779 567236981 /nfs/dbraw/zinc/23/69/81/567236981.db2.gz VBLZYDWVDFZWTK-UHFFFAOYSA-N 1 1 388.262 3.043 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)n1 ZINC000433320750 567242720 /nfs/dbraw/zinc/24/27/20/567242720.db2.gz SWNBEZRSCUELPG-CQSZACIVSA-N 1 1 379.258 3.118 20 5 GGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000525396703 567247324 /nfs/dbraw/zinc/24/73/24/567247324.db2.gz XHYPZTBAACORCF-VXGBXAGGSA-N 1 1 384.274 3.302 20 5 GGBDMO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000568330464 567320010 /nfs/dbraw/zinc/32/00/10/567320010.db2.gz LCJFCUXHGOHUEM-AWEZNQCLSA-N 1 1 390.221 3.200 20 5 GGBDMO C[NH+](C)Cc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000500796260 567345910 /nfs/dbraw/zinc/34/59/10/567345910.db2.gz QNACQRRTQOYKFS-UHFFFAOYSA-N 1 1 383.857 3.252 20 5 GGBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592829805 567368700 /nfs/dbraw/zinc/36/87/00/567368700.db2.gz ZUZSUDFPYYUUAM-GFCCVEGCSA-N 1 1 384.274 3.222 20 5 GGBDMO Cc1sc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000435632445 567381442 /nfs/dbraw/zinc/38/14/42/567381442.db2.gz OJRGFIRCLAFZDU-CQSZACIVSA-N 1 1 387.527 3.040 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000550263616 567437126 /nfs/dbraw/zinc/43/71/26/567437126.db2.gz QFZGONQJMLKSSJ-CQSZACIVSA-N 1 1 396.241 3.291 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457090200 567438064 /nfs/dbraw/zinc/43/80/64/567438064.db2.gz LTVVBKZJGZTPGY-GFCCVEGCSA-N 1 1 384.274 3.220 20 5 GGBDMO Cc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457098280 567439291 /nfs/dbraw/zinc/43/92/91/567439291.db2.gz TWSDYTYYZRDPDC-CYBMUJFWSA-N 1 1 384.274 3.220 20 5 GGBDMO Cc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457098281 567439869 /nfs/dbraw/zinc/43/98/69/567439869.db2.gz TWSDYTYYZRDPDC-ZDUSSCGKSA-N 1 1 384.274 3.220 20 5 GGBDMO C[N@@H+](CCCCNC(=O)c1sc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000457166616 567445616 /nfs/dbraw/zinc/44/56/16/567445616.db2.gz LAJOHGCCOFDGIJ-UHFFFAOYSA-N 1 1 376.276 3.023 20 5 GGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594195346 567464907 /nfs/dbraw/zinc/46/49/07/567464907.db2.gz FYYISTBJNDIIRA-LSDHHAIUSA-N 1 1 382.258 3.104 20 5 GGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594195343 567465197 /nfs/dbraw/zinc/46/51/97/567465197.db2.gz FYYISTBJNDIIRA-CABCVRRESA-N 1 1 382.258 3.104 20 5 GGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000594195748 567465440 /nfs/dbraw/zinc/46/54/40/567465440.db2.gz ISTVZVQQRCFKDQ-CABCVRRESA-N 1 1 382.258 3.104 20 5 GGBDMO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570392950 567482168 /nfs/dbraw/zinc/48/21/68/567482168.db2.gz TWCICCOAORXMCG-ZDUSSCGKSA-N 1 1 379.258 3.391 20 5 GGBDMO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570392950 567482172 /nfs/dbraw/zinc/48/21/72/567482172.db2.gz TWCICCOAORXMCG-ZDUSSCGKSA-N 1 1 379.258 3.391 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000505606618 567586526 /nfs/dbraw/zinc/58/65/26/567586526.db2.gz KMNOVZCYSHENBL-QGZVFWFLSA-N 1 1 396.285 3.224 20 5 GGBDMO CC[NH+]1CCN(C[C@H](C)CNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596081608 567607123 /nfs/dbraw/zinc/60/71/23/567607123.db2.gz IIIUXAZJXCXSHG-CYBMUJFWSA-N 1 1 385.306 3.043 20 5 GGBDMO C[N@@H+](Cc1ccccc1)C1CN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000553334210 567645012 /nfs/dbraw/zinc/64/50/12/567645012.db2.gz WIKRIVZLRNVRCE-UHFFFAOYSA-N 1 1 377.242 3.073 20 5 GGBDMO CC[N@H+](Cc1cccc(Br)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532491159 567718291 /nfs/dbraw/zinc/71/82/91/567718291.db2.gz RESNUZVQGVMGSH-UHFFFAOYSA-N 1 1 392.253 3.478 20 5 GGBDMO CC[N@@H+](Cc1cccc(Br)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532491159 567718293 /nfs/dbraw/zinc/71/82/93/567718293.db2.gz RESNUZVQGVMGSH-UHFFFAOYSA-N 1 1 392.253 3.478 20 5 GGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000597860488 567721235 /nfs/dbraw/zinc/72/12/35/567721235.db2.gz NBZKEVGUJRGOLY-NSHDSACASA-N 1 1 384.274 3.208 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597922650 567724805 /nfs/dbraw/zinc/72/48/05/567724805.db2.gz JYRRLMBFGOJQHT-LBPRGKRZSA-N 1 1 384.274 3.268 20 5 GGBDMO C[N@@H+](CC[C@H]1CCCO1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573964750 567747807 /nfs/dbraw/zinc/74/78/07/567747807.db2.gz WBEBJQHLROKPAP-CQSZACIVSA-N 1 1 390.221 3.200 20 5 GGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598220548 567748040 /nfs/dbraw/zinc/74/80/40/567748040.db2.gz QMRCCCWBXFYZPY-CYBMUJFWSA-N 1 1 396.285 3.494 20 5 GGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000598219439 567748258 /nfs/dbraw/zinc/74/82/58/567748258.db2.gz LXHWFUTVAGRIFY-GFCCVEGCSA-N 1 1 396.285 3.494 20 5 GGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000598219440 567748593 /nfs/dbraw/zinc/74/85/93/567748593.db2.gz LXHWFUTVAGRIFY-LBPRGKRZSA-N 1 1 396.285 3.494 20 5 GGBDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000574087241 567755211 /nfs/dbraw/zinc/75/52/11/567755211.db2.gz WTUCVXJPCCIGLE-LLVKDONJSA-N 1 1 391.253 3.018 20 5 GGBDMO CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000574087241 567755217 /nfs/dbraw/zinc/75/52/17/567755217.db2.gz WTUCVXJPCCIGLE-LLVKDONJSA-N 1 1 391.253 3.018 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000598562990 567777075 /nfs/dbraw/zinc/77/70/75/567777075.db2.gz YOXWCOWALBDOPA-CYBMUJFWSA-N 1 1 396.285 3.209 20 5 GGBDMO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000599065298 567804615 /nfs/dbraw/zinc/80/46/15/567804615.db2.gz KBOZWYYJJVVFOZ-NWDGAFQWSA-N 1 1 384.274 3.350 20 5 GGBDMO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000599071144 567805266 /nfs/dbraw/zinc/80/52/66/567805266.db2.gz QYAPQMYXVLQYDJ-VXGBXAGGSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599147911 567807772 /nfs/dbraw/zinc/80/77/72/567807772.db2.gz SZQZHORJQNZCJC-NEPJUHHUSA-N 1 1 384.274 3.208 20 5 GGBDMO O=[N+]([O-])c1ccc(CCCCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000823635492 599567551 /nfs/dbraw/zinc/56/75/51/599567551.db2.gz YAPDBQDZVPWZEJ-UHFFFAOYSA-N 1 1 389.419 3.180 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)C1CC1 ZINC000826499948 607524412 /nfs/dbraw/zinc/52/44/12/607524412.db2.gz FRAPHOBNGKIYCV-UHFFFAOYSA-N 1 1 389.419 3.192 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820760434 606470491 /nfs/dbraw/zinc/47/04/91/606470491.db2.gz QTAKPXHIEVHPSO-KDOFPFPSSA-N 1 1 393.451 3.097 20 5 GGBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824658249 609433020 /nfs/dbraw/zinc/43/30/20/609433020.db2.gz VFHYNVAXAWICHL-HOCLYGCPSA-N 1 1 393.451 3.097 20 5 GGBDMO C[N@@H+](CCCCc1ccccc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053080371 1406283175 /nfs/dbraw/zinc/28/31/75/1406283175.db2.gz BXJFFEMDARCCDK-UHFFFAOYSA-N 1 1 385.420 3.217 20 5 GGBDMO C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053419985 1406389789 /nfs/dbraw/zinc/38/97/89/1406389789.db2.gz XVRHFXCTNBOYEK-LJQANCHMSA-N 1 1 385.464 3.067 20 5 GGBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)COc3ccc(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000053572080 1406446746 /nfs/dbraw/zinc/44/67/46/1406446746.db2.gz VFVOAWCSXMUYKW-UHFFFAOYSA-N 1 1 397.475 3.325 20 5 GGBDMO COc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000053710099 1406483922 /nfs/dbraw/zinc/48/39/22/1406483922.db2.gz IRTLSZKNLCYQFV-HNNXBMFYSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000053710099 1406483928 /nfs/dbraw/zinc/48/39/28/1406483928.db2.gz IRTLSZKNLCYQFV-HNNXBMFYSA-N 1 1 387.436 3.250 20 5 GGBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000053721538 1406489246 /nfs/dbraw/zinc/48/92/46/1406489246.db2.gz KFBILSHOSBKAJK-UHFFFAOYSA-N 1 1 378.432 3.424 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053811648 1406520317 /nfs/dbraw/zinc/52/03/17/1406520317.db2.gz CSQLSDOJIHLCLO-MRXNPFEDSA-N 1 1 399.495 3.380 20 5 GGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000053846411 1406533386 /nfs/dbraw/zinc/53/33/86/1406533386.db2.gz DUEMEGDRDLMSJA-AWEZNQCLSA-N 1 1 399.451 3.040 20 5 GGBDMO CS(=O)(=O)c1ccc(N2CCC[N@@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000054124180 1406625078 /nfs/dbraw/zinc/62/50/78/1406625078.db2.gz IZBQKMSKGHAWLU-UHFFFAOYSA-N 1 1 395.525 3.091 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000054150141 1406632476 /nfs/dbraw/zinc/63/24/76/1406632476.db2.gz DHGIPGIIVVFYRM-UHFFFAOYSA-N 1 1 387.411 3.091 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000054150141 1406632489 /nfs/dbraw/zinc/63/24/89/1406632489.db2.gz DHGIPGIIVVFYRM-UHFFFAOYSA-N 1 1 387.411 3.091 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC000054167748 1406637459 /nfs/dbraw/zinc/63/74/59/1406637459.db2.gz DXDUJCIUHZEGRI-IAGOWNOFSA-N 1 1 397.475 3.177 20 5 GGBDMO O=C(NC1CC1)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000054359410 1406700426 /nfs/dbraw/zinc/70/04/26/1406700426.db2.gz NSZKZXTYVVRPQD-SFHVURJKSA-N 1 1 380.448 3.173 20 5 GGBDMO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)c1 ZINC000054636388 1406793120 /nfs/dbraw/zinc/79/31/20/1406793120.db2.gz NHWTZDXCDWSDEA-UHFFFAOYSA-N 1 1 393.403 3.373 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cn1 ZINC000054626354 1406790570 /nfs/dbraw/zinc/79/05/70/1406790570.db2.gz YIRIKSGEQXJAKO-ZDUSSCGKSA-N 1 1 397.460 3.281 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000054676499 1406802483 /nfs/dbraw/zinc/80/24/83/1406802483.db2.gz HALNHPZBCDCJCW-NSHDSACASA-N 1 1 398.366 3.276 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000054676499 1406802487 /nfs/dbraw/zinc/80/24/87/1406802487.db2.gz HALNHPZBCDCJCW-NSHDSACASA-N 1 1 398.366 3.276 20 5 GGBDMO COc1cc(C[NH+]2CCC(c3nc(C)no3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000054678151 1406803226 /nfs/dbraw/zinc/80/32/26/1406803226.db2.gz VHMCFUQUYJTVSU-UHFFFAOYSA-N 1 1 398.366 3.276 20 5 GGBDMO Cc1noc(C2CC[NH+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000054678422 1406804353 /nfs/dbraw/zinc/80/43/53/1406804353.db2.gz JIVLEMAFXFKSGD-LLVKDONJSA-N 1 1 384.396 3.277 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000055152360 1406894605 /nfs/dbraw/zinc/89/46/05/1406894605.db2.gz KANYXQLRHRLYKZ-RYUDHWBXSA-N 1 1 391.399 3.429 20 5 GGBDMO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000007453661 1398681459 /nfs/dbraw/zinc/68/14/59/1398681459.db2.gz ZPHSCBUSNRUGNI-AWEZNQCLSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000007453661 1398681477 /nfs/dbraw/zinc/68/14/77/1398681477.db2.gz ZPHSCBUSNRUGNI-AWEZNQCLSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000007671206 1398725308 /nfs/dbraw/zinc/72/53/08/1398725308.db2.gz ZCNGOKLFHVYXLI-MRXNPFEDSA-N 1 1 377.828 3.290 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007788141 1398744134 /nfs/dbraw/zinc/74/41/34/1398744134.db2.gz NUWBDYORAFAXET-UHFFFAOYSA-N 1 1 383.448 3.497 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000008120777 1398806321 /nfs/dbraw/zinc/80/63/21/1398806321.db2.gz VGKFGDAUESDLKI-UHFFFAOYSA-N 1 1 393.827 3.206 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000008120777 1398806322 /nfs/dbraw/zinc/80/63/22/1398806322.db2.gz VGKFGDAUESDLKI-UHFFFAOYSA-N 1 1 393.827 3.206 20 5 GGBDMO Cc1cccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000008131632 1398806686 /nfs/dbraw/zinc/80/66/86/1398806686.db2.gz QMSBFTNIMQKWTN-QGZVFWFLSA-N 1 1 382.464 3.048 20 5 GGBDMO CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000014651239 1399113599 /nfs/dbraw/zinc/11/35/99/1399113599.db2.gz RNRCSGDKZGPSKX-UHFFFAOYSA-N 1 1 395.463 3.269 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015043724 1399134711 /nfs/dbraw/zinc/13/47/11/1399134711.db2.gz AXTKTAHFCKBQRW-UHFFFAOYSA-N 1 1 385.420 3.160 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@H+](C)CCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000015099209 1399138727 /nfs/dbraw/zinc/13/87/27/1399138727.db2.gz QTLKTPUIACTAMP-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000015099209 1399138737 /nfs/dbraw/zinc/13/87/37/1399138737.db2.gz QTLKTPUIACTAMP-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCOc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000015100774 1399139558 /nfs/dbraw/zinc/13/95/58/1399139558.db2.gz QAEGHSINFISNIO-HNNXBMFYSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCOc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000015100774 1399139566 /nfs/dbraw/zinc/13/95/66/1399139566.db2.gz QAEGHSINFISNIO-HNNXBMFYSA-N 1 1 387.436 3.250 20 5 GGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015550706 1399171406 /nfs/dbraw/zinc/17/14/06/1399171406.db2.gz PXBQBUPSYQSARM-OAHLLOKOSA-N 1 1 396.447 3.273 20 5 GGBDMO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000016088173 1399208438 /nfs/dbraw/zinc/20/84/38/1399208438.db2.gz LOCPSUPXMDXWHX-IBGZPJMESA-N 1 1 391.493 3.047 20 5 GGBDMO CCc1ccc([C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[NH+](C)C)cc1 ZINC000016088129 1399208680 /nfs/dbraw/zinc/20/86/80/1399208680.db2.gz BQCLHGGITHTHER-SFHVURJKSA-N 1 1 391.493 3.047 20 5 GGBDMO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+]2CCCC2)cc1 ZINC000017911586 1399294980 /nfs/dbraw/zinc/29/49/80/1399294980.db2.gz YTOZPJCVTJCQEO-OAHLLOKOSA-N 1 1 375.450 3.232 20 5 GGBDMO CC(C)c1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000018901856 1399322082 /nfs/dbraw/zinc/32/20/82/1399322082.db2.gz GARLJUJXLYEVDZ-UHFFFAOYSA-N 1 1 382.464 3.139 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000019541881 1399331945 /nfs/dbraw/zinc/33/19/45/1399331945.db2.gz XWKWNCLEKQEJJP-LLVKDONJSA-N 1 1 391.811 3.436 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000019541881 1399331948 /nfs/dbraw/zinc/33/19/48/1399331948.db2.gz XWKWNCLEKQEJJP-LLVKDONJSA-N 1 1 391.811 3.436 20 5 GGBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000022462186 1399466235 /nfs/dbraw/zinc/46/62/35/1399466235.db2.gz GHMGVRDZHFOZIS-UHFFFAOYSA-N 1 1 381.860 3.013 20 5 GGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022976580 1399520887 /nfs/dbraw/zinc/52/08/87/1399520887.db2.gz MUBLQZYWCWLTRC-ZNMIVQPWSA-N 1 1 395.525 3.079 20 5 GGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022976580 1399520891 /nfs/dbraw/zinc/52/08/91/1399520891.db2.gz MUBLQZYWCWLTRC-ZNMIVQPWSA-N 1 1 395.525 3.079 20 5 GGBDMO CCC[N@@H+](Cc1ccccc1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000023383959 1399555050 /nfs/dbraw/zinc/55/50/50/1399555050.db2.gz RZKPQPHYZPLXJB-NRFANRHFSA-N 1 1 396.447 3.232 20 5 GGBDMO CCC[N@H+](Cc1ccccc1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000023383959 1399555060 /nfs/dbraw/zinc/55/50/60/1399555060.db2.gz RZKPQPHYZPLXJB-NRFANRHFSA-N 1 1 396.447 3.232 20 5 GGBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000023736508 1399581593 /nfs/dbraw/zinc/58/15/93/1399581593.db2.gz RIXDRDTUMUIDRH-UHFFFAOYSA-N 1 1 381.860 3.013 20 5 GGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000023787928 1399585025 /nfs/dbraw/zinc/58/50/25/1399585025.db2.gz KKRIJVHVIMESSY-UHFFFAOYSA-N 1 1 396.491 3.440 20 5 GGBDMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000024798902 1399672747 /nfs/dbraw/zinc/67/27/47/1399672747.db2.gz PBZRQGUDZILTST-CQSZACIVSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000024798902 1399672756 /nfs/dbraw/zinc/67/27/56/1399672756.db2.gz PBZRQGUDZILTST-CQSZACIVSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000024798897 1399673002 /nfs/dbraw/zinc/67/30/02/1399673002.db2.gz PBZRQGUDZILTST-AWEZNQCLSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000024798897 1399673010 /nfs/dbraw/zinc/67/30/10/1399673010.db2.gz PBZRQGUDZILTST-AWEZNQCLSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1cc(C)c(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000024803923 1399673827 /nfs/dbraw/zinc/67/38/27/1399673827.db2.gz YCLSCZBWDGDDNI-UHFFFAOYSA-N 1 1 387.436 3.015 20 5 GGBDMO COc1cc(C)c(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000024803923 1399673835 /nfs/dbraw/zinc/67/38/35/1399673835.db2.gz YCLSCZBWDGDDNI-UHFFFAOYSA-N 1 1 387.436 3.015 20 5 GGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025049324 1399725337 /nfs/dbraw/zinc/72/53/37/1399725337.db2.gz MVOIMZVTPQXKPK-OAHLLOKOSA-N 1 1 389.477 3.099 20 5 GGBDMO CC(C)[NH+]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000025136442 1399755642 /nfs/dbraw/zinc/75/56/42/1399755642.db2.gz WFVAWUKCOYKUEL-CALCHBBNSA-N 1 1 388.512 3.243 20 5 GGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000026225061 1399870922 /nfs/dbraw/zinc/87/09/22/1399870922.db2.gz NHQFLDLAENPYOM-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000026227868 1399870951 /nfs/dbraw/zinc/87/09/51/1399870951.db2.gz IXCYDQLUNNDQTJ-UHFFFAOYSA-N 1 1 385.420 3.135 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000026227880 1399871552 /nfs/dbraw/zinc/87/15/52/1399871552.db2.gz PXTORFYSKCMXCE-UHFFFAOYSA-N 1 1 385.420 3.135 20 5 GGBDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000026227947 1399871593 /nfs/dbraw/zinc/87/15/93/1399871593.db2.gz YOTLGQBKCNDLHR-UHFFFAOYSA-N 1 1 398.463 3.419 20 5 GGBDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000026227947 1399871594 /nfs/dbraw/zinc/87/15/94/1399871594.db2.gz YOTLGQBKCNDLHR-UHFFFAOYSA-N 1 1 398.463 3.419 20 5 GGBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000026320308 1399878099 /nfs/dbraw/zinc/87/80/99/1399878099.db2.gz RXXBJDIERODUAC-CQSZACIVSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000026320308 1399878100 /nfs/dbraw/zinc/87/81/00/1399878100.db2.gz RXXBJDIERODUAC-CQSZACIVSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCOc1ccccc1C ZINC000026337218 1399879578 /nfs/dbraw/zinc/87/95/78/1399879578.db2.gz HFBXFWCEPGIHFG-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(CCc2ccccc2)CC1 ZINC000026341202 1399880038 /nfs/dbraw/zinc/88/00/38/1399880038.db2.gz HDQBJGWLGBKBMX-UHFFFAOYSA-N 1 1 396.491 3.092 20 5 GGBDMO Cc1cccc(C[NH+]2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000026758182 1399930122 /nfs/dbraw/zinc/93/01/22/1399930122.db2.gz JAMMXVCRIOCHKZ-GOSISDBHSA-N 1 1 396.491 3.356 20 5 GGBDMO C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000026936904 1399953226 /nfs/dbraw/zinc/95/32/26/1399953226.db2.gz NKZLGMMHTKIXSM-FQEVSTJZSA-N 1 1 382.464 3.302 20 5 GGBDMO C[N@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000026936904 1399953235 /nfs/dbraw/zinc/95/32/35/1399953235.db2.gz NKZLGMMHTKIXSM-FQEVSTJZSA-N 1 1 382.464 3.302 20 5 GGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000027335466 1400020308 /nfs/dbraw/zinc/02/03/08/1400020308.db2.gz HGRGRPIDFDYAEI-INIZCTEOSA-N 1 1 375.450 3.477 20 5 GGBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(OC(F)F)cc1 ZINC000027349460 1400023622 /nfs/dbraw/zinc/02/36/22/1400023622.db2.gz NAZFLJBYULZMHS-UHFFFAOYSA-N 1 1 391.374 3.217 20 5 GGBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(OC(F)F)cc1 ZINC000027349460 1400023629 /nfs/dbraw/zinc/02/36/29/1400023629.db2.gz NAZFLJBYULZMHS-UHFFFAOYSA-N 1 1 391.374 3.217 20 5 GGBDMO CN1CC[N@@H+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000027349410 1400023780 /nfs/dbraw/zinc/02/37/80/1400023780.db2.gz ARRPPDOUCTUSTQ-HXUWFJFHSA-N 1 1 397.479 3.095 20 5 GGBDMO C[N@@H+]1CCN(CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000027349410 1400023788 /nfs/dbraw/zinc/02/37/88/1400023788.db2.gz ARRPPDOUCTUSTQ-HXUWFJFHSA-N 1 1 397.479 3.095 20 5 GGBDMO C[N@H+]1CCN(CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000027349410 1400023798 /nfs/dbraw/zinc/02/37/98/1400023798.db2.gz ARRPPDOUCTUSTQ-HXUWFJFHSA-N 1 1 397.479 3.095 20 5 GGBDMO CC(C)c1ccc(C[NH+]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000027358633 1400026052 /nfs/dbraw/zinc/02/60/52/1400026052.db2.gz ZZNCCHOODSLWCG-UHFFFAOYSA-N 1 1 396.491 3.135 20 5 GGBDMO COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000027391125 1400032548 /nfs/dbraw/zinc/03/25/48/1400032548.db2.gz LKDDGYRYLNLLOX-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027558254 1400055574 /nfs/dbraw/zinc/05/55/74/1400055574.db2.gz GDATZHDSBBUUFK-LLVKDONJSA-N 1 1 375.356 3.094 20 5 GGBDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027558254 1400055584 /nfs/dbraw/zinc/05/55/84/1400055584.db2.gz GDATZHDSBBUUFK-LLVKDONJSA-N 1 1 375.356 3.094 20 5 GGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027569431 1400058180 /nfs/dbraw/zinc/05/81/80/1400058180.db2.gz HCNNGXMHAYQWDP-JKSUJKDBSA-N 1 1 396.447 3.273 20 5 GGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027569431 1400058191 /nfs/dbraw/zinc/05/81/91/1400058191.db2.gz HCNNGXMHAYQWDP-JKSUJKDBSA-N 1 1 396.447 3.273 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000027570875 1400059917 /nfs/dbraw/zinc/05/99/17/1400059917.db2.gz SHQXOVGXOMYKKP-AWEZNQCLSA-N 1 1 375.450 3.232 20 5 GGBDMO C[N@H+](CCOc1cccc(Cl)c1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027685968 1400076816 /nfs/dbraw/zinc/07/68/16/1400076816.db2.gz UYAJGOHDDBHQDX-UHFFFAOYSA-N 1 1 389.839 3.148 20 5 GGBDMO C[N@@H+](CCOc1cccc(Cl)c1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027685968 1400076825 /nfs/dbraw/zinc/07/68/25/1400076825.db2.gz UYAJGOHDDBHQDX-UHFFFAOYSA-N 1 1 389.839 3.148 20 5 GGBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000027915823 1400105132 /nfs/dbraw/zinc/10/51/32/1400105132.db2.gz UVRMWBUCHNQSEM-UHFFFAOYSA-N 1 1 383.448 3.017 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1Cl ZINC000029051838 1400230629 /nfs/dbraw/zinc/23/06/29/1400230629.db2.gz VLEPYOQWBOWXPB-INIZCTEOSA-N 1 1 387.827 3.157 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000029188817 1400255990 /nfs/dbraw/zinc/25/59/90/1400255990.db2.gz JFSXMRCBXZHEJV-UHFFFAOYSA-N 1 1 385.464 3.238 20 5 GGBDMO CC(C)NC(=O)c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000029685047 1400335915 /nfs/dbraw/zinc/33/59/15/1400335915.db2.gz FJFIKFAMAHUUHP-UHFFFAOYSA-N 1 1 396.491 3.445 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000055908836 1407129933 /nfs/dbraw/zinc/12/99/33/1407129933.db2.gz TYTULQWHPLHIMA-MRXNPFEDSA-N 1 1 387.411 3.388 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000055908836 1407129943 /nfs/dbraw/zinc/12/99/43/1407129943.db2.gz TYTULQWHPLHIMA-MRXNPFEDSA-N 1 1 387.411 3.388 20 5 GGBDMO CCOc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000056304328 1407291869 /nfs/dbraw/zinc/29/18/69/1407291869.db2.gz AWATXXXUOHYBEO-UHFFFAOYSA-N 1 1 389.477 3.056 20 5 GGBDMO C[C@H](NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056382869 1407316145 /nfs/dbraw/zinc/31/61/45/1407316145.db2.gz VLKFQUKAQOYHPE-HOTGVXAUSA-N 1 1 382.464 3.402 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000043122349 1403712800 /nfs/dbraw/zinc/71/28/00/1403712800.db2.gz WBWAXZPXNDSJJH-GFCCVEGCSA-N 1 1 390.465 3.233 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000043122349 1403712811 /nfs/dbraw/zinc/71/28/11/1403712811.db2.gz WBWAXZPXNDSJJH-GFCCVEGCSA-N 1 1 390.465 3.233 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000043126964 1403712996 /nfs/dbraw/zinc/71/29/96/1403712996.db2.gz HKONEJJDOIGQAC-INIZCTEOSA-N 1 1 388.424 3.036 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000043121897 1403713011 /nfs/dbraw/zinc/71/30/11/1403713011.db2.gz VDAGAPIQPXBFTH-UHFFFAOYSA-N 1 1 384.436 3.173 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000056545068 1407356686 /nfs/dbraw/zinc/35/66/86/1407356686.db2.gz VSCPGKJSKPFHJQ-UHFFFAOYSA-N 1 1 386.799 3.459 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000044638319 1403971940 /nfs/dbraw/zinc/97/19/40/1403971940.db2.gz ZKUVJECIGBWNDZ-CALCHBBNSA-N 1 1 397.475 3.063 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000044638319 1403971946 /nfs/dbraw/zinc/97/19/46/1403971946.db2.gz ZKUVJECIGBWNDZ-CALCHBBNSA-N 1 1 397.475 3.063 20 5 GGBDMO CC(C)[NH+]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000045427485 1404120303 /nfs/dbraw/zinc/12/03/03/1404120303.db2.gz KUKJKUHHKRKSAN-UHFFFAOYSA-N 1 1 382.464 3.373 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000046036140 1404281568 /nfs/dbraw/zinc/28/15/68/1404281568.db2.gz ZUWIUCWGWACNQB-UHFFFAOYSA-N 1 1 391.493 3.222 20 5 GGBDMO CCN1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000046120903 1404304857 /nfs/dbraw/zinc/30/48/57/1404304857.db2.gz AFECOWKDSSUGRI-UHFFFAOYSA-N 1 1 397.479 3.054 20 5 GGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000046428494 1404411057 /nfs/dbraw/zinc/41/10/57/1404411057.db2.gz BHGOQIBAQJQCNK-UHFFFAOYSA-N 1 1 382.464 3.185 20 5 GGBDMO CCc1ccccc1NC(=O)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000046560575 1404480632 /nfs/dbraw/zinc/48/06/32/1404480632.db2.gz RABCYGCHVFLPKK-UHFFFAOYSA-N 1 1 398.463 3.365 20 5 GGBDMO CCc1ccccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000046560575 1404480642 /nfs/dbraw/zinc/48/06/42/1404480642.db2.gz RABCYGCHVFLPKK-UHFFFAOYSA-N 1 1 398.463 3.365 20 5 GGBDMO Cc1cc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000046623121 1404515630 /nfs/dbraw/zinc/51/56/30/1404515630.db2.gz XSLGELSLQRMJCX-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO Cc1cccc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000046623606 1404515849 /nfs/dbraw/zinc/51/58/49/1404515849.db2.gz IMOQAMLBUGNKQW-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO CCOc1ccc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047038720 1404685108 /nfs/dbraw/zinc/68/51/08/1404685108.db2.gz BKOYLEWBTLRKCG-IYBDPMFKSA-N 1 1 377.485 3.481 20 5 GGBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000047146129 1404721790 /nfs/dbraw/zinc/72/17/90/1404721790.db2.gz DCABCOFPQHOXJH-QGZVFWFLSA-N 1 1 377.488 3.003 20 5 GGBDMO C[C@H]1CCC[N@@H+](CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000047146133 1404722026 /nfs/dbraw/zinc/72/20/26/1404722026.db2.gz DCABCOFPQHOXJH-KRWDZBQOSA-N 1 1 377.488 3.003 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cn1 ZINC000047275602 1404780316 /nfs/dbraw/zinc/78/03/16/1404780316.db2.gz CVWJPLNHXBKWIR-UHFFFAOYSA-N 1 1 392.419 3.336 20 5 GGBDMO CC(=O)c1ccc(NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000047272501 1404780470 /nfs/dbraw/zinc/78/04/70/1404780470.db2.gz WRTDNSSVPPYWOQ-UHFFFAOYSA-N 1 1 382.464 3.157 20 5 GGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000047609953 1404879191 /nfs/dbraw/zinc/87/91/91/1404879191.db2.gz WPENIMDZDQDJSV-UHFFFAOYSA-N 1 1 383.448 3.017 20 5 GGBDMO Cc1[nH+]ccn1CCCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000047676397 1404891471 /nfs/dbraw/zinc/89/14/71/1404891471.db2.gz CSTBTUZMSXWCEE-UHFFFAOYSA-N 1 1 399.373 3.127 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000047864561 1404977588 /nfs/dbraw/zinc/97/75/88/1404977588.db2.gz QDGSEIRCJFVKMM-LBPRGKRZSA-N 1 1 384.339 3.214 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000048267649 1405120454 /nfs/dbraw/zinc/12/04/54/1405120454.db2.gz SKUCERSVQIDJFT-GASCZTMLSA-N 1 1 393.484 3.100 20 5 GGBDMO COc1ccccc1[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+](C)C ZINC000048299494 1405134211 /nfs/dbraw/zinc/13/42/11/1405134211.db2.gz PQQJYQLTLMXELK-QGZVFWFLSA-N 1 1 382.420 3.117 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000048359965 1405162233 /nfs/dbraw/zinc/16/22/33/1405162233.db2.gz BGRMTHAVUTUZRT-HZPDHXFCSA-N 1 1 383.448 3.134 20 5 GGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050136786 1405496956 /nfs/dbraw/zinc/49/69/56/1405496956.db2.gz TZXKALQJVCNNDS-MRXNPFEDSA-N 1 1 388.493 3.368 20 5 GGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050613129 1405613432 /nfs/dbraw/zinc/61/34/32/1405613432.db2.gz QGLLFQCZDYHKKR-GFCCVEGCSA-N 1 1 385.449 3.289 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000051340273 1405790592 /nfs/dbraw/zinc/79/05/92/1405790592.db2.gz YJCGPVRWIJYNKO-OAHLLOKOSA-N 1 1 386.433 3.344 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000051340276 1405791109 /nfs/dbraw/zinc/79/11/09/1405791109.db2.gz OZGAVKQBFIULPT-OAHLLOKOSA-N 1 1 386.433 3.344 20 5 GGBDMO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)Nc1c(F)cccc1F ZINC000051347584 1405794136 /nfs/dbraw/zinc/79/41/36/1405794136.db2.gz DEFXKJPOQSSQOW-UHFFFAOYSA-N 1 1 379.363 3.212 20 5 GGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)Nc1c(F)cccc1F ZINC000051347584 1405794142 /nfs/dbraw/zinc/79/41/42/1405794142.db2.gz DEFXKJPOQSSQOW-UHFFFAOYSA-N 1 1 379.363 3.212 20 5 GGBDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051406818 1405806019 /nfs/dbraw/zinc/80/60/19/1405806019.db2.gz KMIATSBBPYHMBB-INIZCTEOSA-N 1 1 384.354 3.485 20 5 GGBDMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000051420592 1405808308 /nfs/dbraw/zinc/80/83/08/1405808308.db2.gz HZAWQHFAZUSIRJ-UHFFFAOYSA-N 1 1 394.431 3.134 20 5 GGBDMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000051706442 1405853130 /nfs/dbraw/zinc/85/31/30/1405853130.db2.gz PFMHLYNUECXJSW-UHFFFAOYSA-N 1 1 396.491 3.010 20 5 GGBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000052827151 1406187316 /nfs/dbraw/zinc/18/73/16/1406187316.db2.gz AKSCBGWQOIGHMG-UHFFFAOYSA-N 1 1 399.476 3.067 20 5 GGBDMO 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COc1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000061285518 1408101721 /nfs/dbraw/zinc/10/17/21/1408101721.db2.gz FBAJZSVHUYTNER-UHFFFAOYSA-N 1 1 387.461 3.405 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062231197 1408221534 /nfs/dbraw/zinc/22/15/34/1408221534.db2.gz BWYZIUSVZKQDGI-QGZVFWFLSA-N 1 1 383.448 3.245 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1)CC(F)(F)F ZINC000176398219 1428300746 /nfs/dbraw/zinc/30/07/46/1428300746.db2.gz FWTPKYLLSSMCEE-CYBMUJFWSA-N 1 1 375.391 3.310 20 5 GGBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176409287 1428307508 /nfs/dbraw/zinc/30/75/08/1428307508.db2.gz IQRTVQFCENCSGS-UHFFFAOYSA-N 1 1 382.464 3.161 20 5 GGBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3nc4sccn4c3[N+](=O)[O-])c2)CCO1 ZINC000063248354 1408322831 /nfs/dbraw/zinc/32/28/31/1408322831.db2.gz URZOLCIYMRCSQJ-ZDUSSCGKSA-N 1 1 387.465 3.137 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3nc4sccn4c3[N+](=O)[O-])c2)CCO1 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/nfs/dbraw/zinc/53/87/45/1408538745.db2.gz DGTKTDCUOVJGQJ-UHFFFAOYSA-N 1 1 398.463 3.146 20 5 GGBDMO CC(C)[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350056 1408538750 /nfs/dbraw/zinc/53/87/50/1408538750.db2.gz DGTKTDCUOVJGQJ-UHFFFAOYSA-N 1 1 398.463 3.146 20 5 GGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000064736702 1408604303 /nfs/dbraw/zinc/60/43/03/1408604303.db2.gz YQMBTKNUSCGPCT-MRXNPFEDSA-N 1 1 399.495 3.402 20 5 GGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000064736613 1408605053 /nfs/dbraw/zinc/60/50/53/1408605053.db2.gz OBPXJMJEZKEAST-MRXNPFEDSA-N 1 1 399.495 3.402 20 5 GGBDMO C[N@@H+](CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000176477950 1428333369 /nfs/dbraw/zinc/33/33/69/1428333369.db2.gz VXDUPEMYWHOFGM-UHFFFAOYSA-N 1 1 390.484 3.022 20 5 GGBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)Cc1ccccc1 ZINC000064916241 1408628103 /nfs/dbraw/zinc/62/81/03/1408628103.db2.gz XAAWDYWRMSNYDR-UHFFFAOYSA-N 1 1 382.464 3.375 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000065262028 1408657607 /nfs/dbraw/zinc/65/76/07/1408657607.db2.gz AHBCFRXCVRAENG-UHFFFAOYSA-N 1 1 389.477 3.368 20 5 GGBDMO C[N@@H+](CCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000065720122 1408718033 /nfs/dbraw/zinc/71/80/33/1408718033.db2.gz JJODBPUPNBBJIN-UHFFFAOYSA-N 1 1 380.448 3.188 20 5 GGBDMO C[N@@H+](Cc1ccccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000065817191 1408734788 /nfs/dbraw/zinc/73/47/88/1408734788.db2.gz ZESDKTNWZLIJNY-UHFFFAOYSA-N 1 1 399.495 3.262 20 5 GGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000065835867 1408738689 /nfs/dbraw/zinc/73/86/89/1408738689.db2.gz RFFZOBOZSYOARX-UHFFFAOYSA-N 1 1 392.459 3.202 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000065945209 1408760891 /nfs/dbraw/zinc/76/08/91/1408760891.db2.gz AGSGDFOFLOKYOU-UHFFFAOYSA-N 1 1 397.401 3.448 20 5 GGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000066434531 1408836963 /nfs/dbraw/zinc/83/69/63/1408836963.db2.gz WBBBBWQDRQFTPW-UHFFFAOYSA-N 1 1 391.493 3.256 20 5 GGBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000066676388 1408882710 /nfs/dbraw/zinc/88/27/10/1408882710.db2.gz IUBKMKDKJDZKEE-UHFFFAOYSA-N 1 1 382.464 3.161 20 5 GGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000066761332 1408904684 /nfs/dbraw/zinc/90/46/84/1408904684.db2.gz MLVBPDTVBDKPMA-AWEZNQCLSA-N 1 1 396.447 3.077 20 5 GGBDMO CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000066761332 1408904689 /nfs/dbraw/zinc/90/46/89/1408904689.db2.gz MLVBPDTVBDKPMA-AWEZNQCLSA-N 1 1 396.447 3.077 20 5 GGBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000066924110 1408952962 /nfs/dbraw/zinc/95/29/62/1408952962.db2.gz VULIAQOQKWERCX-UHFFFAOYSA-N 1 1 385.420 3.220 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000067053760 1408993812 /nfs/dbraw/zinc/99/38/12/1408993812.db2.gz NYBAZIUIFBJOBC-IRXDYDNUSA-N 1 1 397.475 3.442 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000067072234 1409001533 /nfs/dbraw/zinc/00/15/33/1409001533.db2.gz CHZRBDRDWDACPL-HOTGVXAUSA-N 1 1 383.448 3.134 20 5 GGBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000176579073 1428368892 /nfs/dbraw/zinc/36/88/92/1428368892.db2.gz HNSHLHCEVCAFAO-CRAIPNDOSA-N 1 1 383.448 3.386 20 5 GGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)c2C1 ZINC000067168155 1409031088 /nfs/dbraw/zinc/03/10/88/1409031088.db2.gz NXSGVXAGRDRQMC-UHFFFAOYSA-N 1 1 392.419 3.153 20 5 GGBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)c2C1 ZINC000067168155 1409031091 /nfs/dbraw/zinc/03/10/91/1409031091.db2.gz NXSGVXAGRDRQMC-UHFFFAOYSA-N 1 1 392.419 3.153 20 5 GGBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000176579103 1428369388 /nfs/dbraw/zinc/36/93/88/1428369388.db2.gz HNSHLHCEVCAFAO-QAPCUYQASA-N 1 1 383.448 3.386 20 5 GGBDMO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374748 1409090991 /nfs/dbraw/zinc/09/09/91/1409090991.db2.gz OSPRMICCTDVVBQ-KRWDZBQOSA-N 1 1 391.374 3.434 20 5 GGBDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374748 1409090999 /nfs/dbraw/zinc/09/09/99/1409090999.db2.gz OSPRMICCTDVVBQ-KRWDZBQOSA-N 1 1 391.374 3.434 20 5 GGBDMO CNC(=O)c1ccc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000067384750 1409096121 /nfs/dbraw/zinc/09/61/21/1409096121.db2.gz VIOLJLLKSRJOIW-QGZVFWFLSA-N 1 1 382.464 3.279 20 5 GGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000067386916 1409096720 /nfs/dbraw/zinc/09/67/20/1409096720.db2.gz UOUZVUDQSJRZCD-MRXNPFEDSA-N 1 1 385.468 3.171 20 5 GGBDMO COc1cccc(CN(C)C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000067458541 1409124344 /nfs/dbraw/zinc/12/43/44/1409124344.db2.gz CAPXWGJNJXWMBK-UHFFFAOYSA-N 1 1 385.464 3.472 20 5 GGBDMO COc1cccc(CN(C)C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000067458541 1409124352 /nfs/dbraw/zinc/12/43/52/1409124352.db2.gz CAPXWGJNJXWMBK-UHFFFAOYSA-N 1 1 385.464 3.472 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000067536281 1409151283 /nfs/dbraw/zinc/15/12/83/1409151283.db2.gz VSLMVKXFVMDGOW-UHFFFAOYSA-N 1 1 398.463 3.021 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000067543627 1409153649 /nfs/dbraw/zinc/15/36/49/1409153649.db2.gz RXVRLHCHQLBBFX-MJGOQNOKSA-N 1 1 381.432 3.360 20 5 GGBDMO Cc1c(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000067558146 1409161911 /nfs/dbraw/zinc/16/19/11/1409161911.db2.gz VGTVRVLXKPOZOC-HNNXBMFYSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1c(NC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000067558146 1409161917 /nfs/dbraw/zinc/16/19/17/1409161917.db2.gz VGTVRVLXKPOZOC-HNNXBMFYSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000067646721 1409197286 /nfs/dbraw/zinc/19/72/86/1409197286.db2.gz FVTSUYYXAHIKBV-UHFFFAOYSA-N 1 1 383.383 3.227 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067793894 1409232785 /nfs/dbraw/zinc/23/27/85/1409232785.db2.gz BZZDMUAAXAVMJA-SFHVURJKSA-N 1 1 383.448 3.145 20 5 GGBDMO COc1ccc(CC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000067801692 1409233821 /nfs/dbraw/zinc/23/38/21/1409233821.db2.gz GDEVRFUILQJHSR-UHFFFAOYSA-N 1 1 397.475 3.099 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000067962252 1409264836 /nfs/dbraw/zinc/26/48/36/1409264836.db2.gz ZJMADHLOUVSKME-UHFFFAOYSA-N 1 1 396.491 3.440 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000067962252 1409264837 /nfs/dbraw/zinc/26/48/37/1409264837.db2.gz ZJMADHLOUVSKME-UHFFFAOYSA-N 1 1 396.491 3.440 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000067962252 1409264838 /nfs/dbraw/zinc/26/48/38/1409264838.db2.gz ZJMADHLOUVSKME-UHFFFAOYSA-N 1 1 396.491 3.440 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068085187 1409295640 /nfs/dbraw/zinc/29/56/40/1409295640.db2.gz HHVDXKBPZBSFBP-ZDUSSCGKSA-N 1 1 378.429 3.053 20 5 GGBDMO COc1ccc(CSCC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000068210994 1409330325 /nfs/dbraw/zinc/33/03/25/1409330325.db2.gz ZWVOGLSTKSNQCG-HUUCEWRRSA-N 1 1 395.525 3.073 20 5 GGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000068359671 1409378106 /nfs/dbraw/zinc/37/81/06/1409378106.db2.gz YQMBTKNUSCGPCT-INIZCTEOSA-N 1 1 399.495 3.402 20 5 GGBDMO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000068845672 1409507191 /nfs/dbraw/zinc/50/71/91/1409507191.db2.gz NCRWUNUVPREBKN-LJQANCHMSA-N 1 1 399.491 3.082 20 5 GGBDMO O=C(CCN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000068967056 1409535336 /nfs/dbraw/zinc/53/53/36/1409535336.db2.gz NWWKSJPYXXKHCO-UHFFFAOYSA-N 1 1 382.464 3.131 20 5 GGBDMO O=C(CC[N@@H+]1CCCN(Cc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000068967056 1409535338 /nfs/dbraw/zinc/53/53/38/1409535338.db2.gz NWWKSJPYXXKHCO-UHFFFAOYSA-N 1 1 382.464 3.131 20 5 GGBDMO O=C(CC[N@H+]1CCCN(Cc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000068967056 1409535339 /nfs/dbraw/zinc/53/53/39/1409535339.db2.gz NWWKSJPYXXKHCO-UHFFFAOYSA-N 1 1 382.464 3.131 20 5 GGBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000069001591 1409540491 /nfs/dbraw/zinc/54/04/91/1409540491.db2.gz UBHRVXDZPNCHSL-INIZCTEOSA-N 1 1 399.495 3.181 20 5 GGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000069046016 1409552669 /nfs/dbraw/zinc/55/26/69/1409552669.db2.gz LWVBLJRSTVEESB-KGLIPLIRSA-N 1 1 383.876 3.252 20 5 GGBDMO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000069085730 1409560578 /nfs/dbraw/zinc/56/05/78/1409560578.db2.gz SRDACGAXLNAWFM-LJQANCHMSA-N 1 1 381.432 3.330 20 5 GGBDMO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000069085730 1409560584 /nfs/dbraw/zinc/56/05/84/1409560584.db2.gz SRDACGAXLNAWFM-LJQANCHMSA-N 1 1 381.432 3.330 20 5 GGBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000069138918 1409575084 /nfs/dbraw/zinc/57/50/84/1409575084.db2.gz HQUVCTAEDXCIGR-KRWDZBQOSA-N 1 1 377.488 3.003 20 5 GGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000069369070 1409623961 /nfs/dbraw/zinc/62/39/61/1409623961.db2.gz AFHJATHYIIKLDR-WBVHZDCISA-N 1 1 385.489 3.466 20 5 GGBDMO COc1cc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1SC ZINC000069687715 1409676012 /nfs/dbraw/zinc/67/60/12/1409676012.db2.gz OZLPRRARHLDFLZ-MRXNPFEDSA-N 1 1 392.477 3.197 20 5 GGBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000070670891 1409748703 /nfs/dbraw/zinc/74/87/03/1409748703.db2.gz FZOIAKOYQLJIOR-UHFFFAOYSA-N 1 1 381.860 3.013 20 5 GGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000070702116 1409755073 /nfs/dbraw/zinc/75/50/73/1409755073.db2.gz OTBJCTJLZPMAJQ-LJQANCHMSA-N 1 1 398.463 3.355 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000176719896 1428432091 /nfs/dbraw/zinc/43/20/91/1428432091.db2.gz PHTWEYAWJXDPPJ-WMZOPIPTSA-N 1 1 396.491 3.444 20 5 GGBDMO O=C(CC[NH+]1CCN(c2ccccc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000071829561 1409826233 /nfs/dbraw/zinc/82/62/33/1409826233.db2.gz IWENDBJBIFKUPI-UHFFFAOYSA-N 1 1 388.855 3.399 20 5 GGBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000071872587 1409828463 /nfs/dbraw/zinc/82/84/63/1409828463.db2.gz IJPQQMSFNGBZOI-OAHLLOKOSA-N 1 1 395.506 3.080 20 5 GGBDMO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000071885351 1409828958 /nfs/dbraw/zinc/82/89/58/1409828958.db2.gz PKSFALQOHKSZIV-UHFFFAOYSA-N 1 1 385.468 3.390 20 5 GGBDMO C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000071942912 1409831952 /nfs/dbraw/zinc/83/19/52/1409831952.db2.gz RIMZDRFGFUKEPI-NEPJUHHUSA-N 1 1 386.399 3.438 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)CCO1 ZINC000072033174 1409839212 /nfs/dbraw/zinc/83/92/12/1409839212.db2.gz VBUDSASYKNXLOO-OAHLLOKOSA-N 1 1 384.436 3.137 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)CCO1 ZINC000072033174 1409839215 /nfs/dbraw/zinc/83/92/15/1409839215.db2.gz VBUDSASYKNXLOO-OAHLLOKOSA-N 1 1 384.436 3.137 20 5 GGBDMO Cc1n[nH]c(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000072060275 1409843311 /nfs/dbraw/zinc/84/33/11/1409843311.db2.gz HPXNQUKKKBWUQC-OKILXGFUSA-N 1 1 385.468 3.034 20 5 GGBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000176726019 1428436766 /nfs/dbraw/zinc/43/67/66/1428436766.db2.gz QPIHQDJXVPOPGG-CYBMUJFWSA-N 1 1 389.905 3.052 20 5 GGBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000176726002 1428437306 /nfs/dbraw/zinc/43/73/06/1428437306.db2.gz QPIHQDJXVPOPGG-ZDUSSCGKSA-N 1 1 389.905 3.052 20 5 GGBDMO CCc1nn(C)c(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091742991 1410079509 /nfs/dbraw/zinc/07/95/09/1410079509.db2.gz YUSSAASIDCWODS-IEBWSBKVSA-N 1 1 383.496 3.382 20 5 GGBDMO COc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000092048269 1410101639 /nfs/dbraw/zinc/10/16/39/1410101639.db2.gz HVMGTOCJCCXFIG-UHFFFAOYSA-N 1 1 393.447 3.316 20 5 GGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)c1 ZINC000092048168 1410101740 /nfs/dbraw/zinc/10/17/40/1410101740.db2.gz NQZJBKLSDBRICL-UHFFFAOYSA-N 1 1 391.431 3.499 20 5 GGBDMO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000092188703 1410119136 /nfs/dbraw/zinc/11/91/36/1410119136.db2.gz DWWTUIVQKQINEP-AWEZNQCLSA-N 1 1 386.477 3.313 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)cs2)c1 ZINC000092217852 1410120961 /nfs/dbraw/zinc/12/09/61/1410120961.db2.gz QCODSWHUWIDDSF-GOSISDBHSA-N 1 1 388.493 3.015 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H]3CN3CCOCC3)cs2)c1 ZINC000092217852 1410120966 /nfs/dbraw/zinc/12/09/66/1410120966.db2.gz QCODSWHUWIDDSF-GOSISDBHSA-N 1 1 388.493 3.015 20 5 GGBDMO CCC[N@H+](CC(=O)NC)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000092381816 1410149735 /nfs/dbraw/zinc/14/97/35/1410149735.db2.gz HYMALTHFONZTLG-UHFFFAOYSA-N 1 1 375.400 3.484 20 5 GGBDMO CCC[N@@H+](CC(=O)NC)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000092381816 1410149745 /nfs/dbraw/zinc/14/97/45/1410149745.db2.gz HYMALTHFONZTLG-UHFFFAOYSA-N 1 1 375.400 3.484 20 5 GGBDMO CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)nc1 ZINC000092644060 1410181233 /nfs/dbraw/zinc/18/12/33/1410181233.db2.gz FIKNQFHGIXCDIZ-UHFFFAOYSA-N 1 1 398.463 3.187 20 5 GGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](CCC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000092660348 1410183876 /nfs/dbraw/zinc/18/38/76/1410183876.db2.gz BUHBYLZIDNGZIU-CQSZACIVSA-N 1 1 387.436 3.341 20 5 GGBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092707443 1410191310 /nfs/dbraw/zinc/19/13/10/1410191310.db2.gz XGSAKHDIHSRFCA-MRXNPFEDSA-N 1 1 399.495 3.124 20 5 GGBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092707442 1410191898 /nfs/dbraw/zinc/19/18/98/1410191898.db2.gz XGSAKHDIHSRFCA-INIZCTEOSA-N 1 1 399.495 3.124 20 5 GGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092730940 1410195189 /nfs/dbraw/zinc/19/51/89/1410195189.db2.gz RLCAHWVKHFJLHM-CABCVRRESA-N 1 1 393.484 3.129 20 5 GGBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092733771 1410195865 /nfs/dbraw/zinc/19/58/65/1410195865.db2.gz DYOSGYKZXFQRDZ-HNNXBMFYSA-N 1 1 388.493 3.457 20 5 GGBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092733771 1410195872 /nfs/dbraw/zinc/19/58/72/1410195872.db2.gz DYOSGYKZXFQRDZ-HNNXBMFYSA-N 1 1 388.493 3.457 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)CCCO)ccc1Oc1ccccc1Cl ZINC000093323757 1410234848 /nfs/dbraw/zinc/23/48/48/1410234848.db2.gz DQFSRHPESLFGKB-UHFFFAOYSA-N 1 1 380.828 3.217 20 5 GGBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000093361060 1410239442 /nfs/dbraw/zinc/23/94/42/1410239442.db2.gz USKAOKBIZZDTGC-OAHLLOKOSA-N 1 1 387.411 3.484 20 5 GGBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000093361061 1410239704 /nfs/dbraw/zinc/23/97/04/1410239704.db2.gz USKAOKBIZZDTGC-HNNXBMFYSA-N 1 1 387.411 3.484 20 5 GGBDMO 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COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000109100985 1411683086 /nfs/dbraw/zinc/68/30/86/1411683086.db2.gz WGJPRCWMACOSIV-MGPUTAFESA-N 1 1 399.447 3.394 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000109312646 1411739045 /nfs/dbraw/zinc/73/90/45/1411739045.db2.gz XATUAHGTCAUPCL-HXUWFJFHSA-N 1 1 382.464 3.045 20 5 GGBDMO COc1cc(C[NH+]2CCC(n3ccnc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000109795925 1411811019 /nfs/dbraw/zinc/81/10/19/1411811019.db2.gz IWFWEUMLVIGFRL-UHFFFAOYSA-N 1 1 382.367 3.238 20 5 GGBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000110199115 1411837065 /nfs/dbraw/zinc/83/70/65/1411837065.db2.gz PYBQHEZUCQEAGZ-UHFFFAOYSA-N 1 1 396.491 3.417 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110349727 1411845850 /nfs/dbraw/zinc/84/58/50/1411845850.db2.gz BGCAEUVWTYQQDH-CYBMUJFWSA-N 1 1 386.408 3.062 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110349729 1411845873 /nfs/dbraw/zinc/84/58/73/1411845873.db2.gz BGCAEUVWTYQQDH-ZDUSSCGKSA-N 1 1 386.408 3.062 20 5 GGBDMO Cc1c(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110353464 1411846202 /nfs/dbraw/zinc/84/62/02/1411846202.db2.gz YNEDSWDHGIYKCZ-CYBMUJFWSA-N 1 1 386.408 3.062 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000110507083 1411853746 /nfs/dbraw/zinc/85/37/46/1411853746.db2.gz ZVRYKXAHXOEKPB-CYBMUJFWSA-N 1 1 375.375 3.220 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000110507083 1411853748 /nfs/dbraw/zinc/85/37/48/1411853748.db2.gz ZVRYKXAHXOEKPB-CYBMUJFWSA-N 1 1 375.375 3.220 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCc3ccccc3)[C@H]3CCOC3)n2)cc1 ZINC000177149871 1428601673 /nfs/dbraw/zinc/60/16/73/1428601673.db2.gz LNKWKNCNGOOSHV-IBGZPJMESA-N 1 1 394.431 3.478 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCc3ccccc3)[C@H]3CCOC3)n2)cc1 ZINC000177149871 1428601678 /nfs/dbraw/zinc/60/16/78/1428601678.db2.gz LNKWKNCNGOOSHV-IBGZPJMESA-N 1 1 394.431 3.478 20 5 GGBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000110652485 1411862191 /nfs/dbraw/zinc/86/21/91/1411862191.db2.gz FFSYLNOLULOIKZ-CQSZACIVSA-N 1 1 385.420 3.077 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000111120433 1411888499 /nfs/dbraw/zinc/88/84/99/1411888499.db2.gz ILLNVOYLGAFLPV-OAHLLOKOSA-N 1 1 378.432 3.423 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000111120433 1411888500 /nfs/dbraw/zinc/88/85/00/1411888500.db2.gz ILLNVOYLGAFLPV-OAHLLOKOSA-N 1 1 378.432 3.423 20 5 GGBDMO C[C@@H](CN1CCOCC1)[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000111172586 1411893623 /nfs/dbraw/zinc/89/36/23/1411893623.db2.gz JTJHSYUGMVWWAZ-IBGZPJMESA-N 1 1 399.491 3.197 20 5 GGBDMO O=C(C[N@H+](Cc1ccccc1)CC1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000111261449 1411898246 /nfs/dbraw/zinc/89/82/46/1411898246.db2.gz BKAFSHQHSXTTAX-UHFFFAOYSA-N 1 1 383.448 3.462 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000111308166 1411906062 /nfs/dbraw/zinc/90/60/62/1411906062.db2.gz VDTBYERWQAZVMG-MRXNPFEDSA-N 1 1 383.448 3.168 20 5 GGBDMO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000111311346 1411908229 /nfs/dbraw/zinc/90/82/29/1411908229.db2.gz WDCQOIKWDXNZFN-MRXNPFEDSA-N 1 1 386.477 3.258 20 5 GGBDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000111311346 1411908267 /nfs/dbraw/zinc/90/82/67/1411908267.db2.gz WDCQOIKWDXNZFN-MRXNPFEDSA-N 1 1 386.477 3.258 20 5 GGBDMO Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000111313120 1411912792 /nfs/dbraw/zinc/91/27/92/1411912792.db2.gz CSWQRZHCTSQXKN-WMLDXEAASA-N 1 1 377.466 3.109 20 5 GGBDMO Cc1csc(C2([NH2+]CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CCCC2)n1 ZINC000177173685 1428612885 /nfs/dbraw/zinc/61/28/85/1428612885.db2.gz INJVFLNLAWNFQQ-UHFFFAOYSA-N 1 1 386.477 3.308 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000111697008 1412013057 /nfs/dbraw/zinc/01/30/57/1412013057.db2.gz RNTSOWGEUJBUPC-MRXNPFEDSA-N 1 1 393.447 3.351 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+](C)Cc2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000177197525 1428626709 /nfs/dbraw/zinc/62/67/09/1428626709.db2.gz SPIKTSZUDDGVJF-UHFFFAOYSA-N 1 1 381.436 3.251 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000177197525 1428626712 /nfs/dbraw/zinc/62/67/12/1428626712.db2.gz SPIKTSZUDDGVJF-UHFFFAOYSA-N 1 1 381.436 3.251 20 5 GGBDMO O=C(CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(Cl)cc1 ZINC000112656234 1412187617 /nfs/dbraw/zinc/18/76/17/1412187617.db2.gz JHJPZXVMZISNIW-HNNXBMFYSA-N 1 1 389.843 3.158 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000112670356 1412189020 /nfs/dbraw/zinc/18/90/20/1412189020.db2.gz RJDJMETWYKRNKI-QGZVFWFLSA-N 1 1 392.459 3.282 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000112670356 1412189030 /nfs/dbraw/zinc/18/90/30/1412189030.db2.gz RJDJMETWYKRNKI-QGZVFWFLSA-N 1 1 392.459 3.282 20 5 GGBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000177210603 1428633825 /nfs/dbraw/zinc/63/38/25/1428633825.db2.gz XTDDWCYMAFOGPA-UHFFFAOYSA-N 1 1 390.831 3.407 20 5 GGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000177210603 1428633829 /nfs/dbraw/zinc/63/38/29/1428633829.db2.gz XTDDWCYMAFOGPA-UHFFFAOYSA-N 1 1 390.831 3.407 20 5 GGBDMO C[N@H+](CCc1ccc(Cl)cc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000113266178 1412286451 /nfs/dbraw/zinc/28/64/51/1412286451.db2.gz WGPJJOFIAVENMC-UHFFFAOYSA-N 1 1 391.811 3.090 20 5 GGBDMO C[N@@H+](CCc1ccc(Cl)cc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000113266178 1412286456 /nfs/dbraw/zinc/28/64/56/1412286456.db2.gz WGPJJOFIAVENMC-UHFFFAOYSA-N 1 1 391.811 3.090 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000113900381 1412347711 /nfs/dbraw/zinc/34/77/11/1412347711.db2.gz NICIVYJEWYREAO-KGLIPLIRSA-N 1 1 378.448 3.043 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113933783 1412354109 /nfs/dbraw/zinc/35/41/09/1412354109.db2.gz RPYRTQFBZQJMNV-ZWKOTPCHSA-N 1 1 388.512 3.428 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113933955 1412354537 /nfs/dbraw/zinc/35/45/37/1412354537.db2.gz LLJNJOLSCIWFGD-ZWKOTPCHSA-N 1 1 388.512 3.428 20 5 GGBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113945031 1412357274 /nfs/dbraw/zinc/35/72/74/1412357274.db2.gz VPTKTKOMNIFOQA-RDJZCZTQSA-N 1 1 395.525 3.178 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000113945176 1412357377 /nfs/dbraw/zinc/35/73/77/1412357377.db2.gz IKDHZCDOJZWGES-GJZGRUSLSA-N 1 1 399.488 3.009 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113945161 1412357528 /nfs/dbraw/zinc/35/75/28/1412357528.db2.gz VAUWTQAKKSXKNN-IRXDYDNUSA-N 1 1 395.525 3.178 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000114022823 1412370452 /nfs/dbraw/zinc/37/04/52/1412370452.db2.gz OQCWIZSUSGQHTR-HKUYNNGSSA-N 1 1 388.512 3.433 20 5 GGBDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000114501636 1412447409 /nfs/dbraw/zinc/44/74/09/1412447409.db2.gz NUFSDOLGFRJLOQ-NEPJUHHUSA-N 1 1 391.399 3.429 20 5 GGBDMO CCOc1ccccc1C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000114725029 1412511652 /nfs/dbraw/zinc/51/16/52/1412511652.db2.gz JQPZHRQETLYWCZ-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115275072 1412630735 /nfs/dbraw/zinc/63/07/35/1412630735.db2.gz JLFBYTMWEZCTKB-UKRRQHHQSA-N 1 1 383.876 3.115 20 5 GGBDMO C[C@@H]1CCCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000115435102 1412674174 /nfs/dbraw/zinc/67/41/74/1412674174.db2.gz YBMVODPZHOPYGO-IAGOWNOFSA-N 1 1 388.512 3.245 20 5 GGBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000115440815 1412677134 /nfs/dbraw/zinc/67/71/34/1412677134.db2.gz SKVRWHWWGMREJG-KRWDZBQOSA-N 1 1 388.512 3.245 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000115745307 1412776583 /nfs/dbraw/zinc/77/65/83/1412776583.db2.gz SQYDISFUVSHYNY-NVXWUHKLSA-N 1 1 378.473 3.162 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115745257 1412776906 /nfs/dbraw/zinc/77/69/06/1412776906.db2.gz ZCEZBKVZSQJWKM-NVXWUHKLSA-N 1 1 378.473 3.162 20 5 GGBDMO CCOC(=O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCCC1 ZINC000177295699 1428676376 /nfs/dbraw/zinc/67/63/76/1428676376.db2.gz HSIJRFXCILIMQM-UHFFFAOYSA-N 1 1 377.441 3.040 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000115916404 1412814946 /nfs/dbraw/zinc/81/49/46/1412814946.db2.gz PEDDKFGHXGUJOI-IYBDPMFKSA-N 1 1 377.485 3.236 20 5 GGBDMO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116272975 1412847087 /nfs/dbraw/zinc/84/70/87/1412847087.db2.gz OITOTHOUVBKDJP-UHFFFAOYSA-N 1 1 383.876 3.003 20 5 GGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116388910 1412854006 /nfs/dbraw/zinc/85/40/06/1412854006.db2.gz SBRSSLXHSHJMCC-IYBDPMFKSA-N 1 1 380.920 3.239 20 5 GGBDMO Cc1ccccc1C[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000116758909 1412917421 /nfs/dbraw/zinc/91/74/21/1412917421.db2.gz CKVXAGKNZQZFJD-SFHVURJKSA-N 1 1 396.491 3.438 20 5 GGBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)c(F)c1 ZINC000117334791 1413026911 /nfs/dbraw/zinc/02/69/11/1413026911.db2.gz PDKCUVMMQAURJO-UHFFFAOYSA-N 1 1 377.347 3.303 20 5 GGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000117338357 1413027327 /nfs/dbraw/zinc/02/73/27/1413027327.db2.gz PODDFJXZOJZRLA-MRXNPFEDSA-N 1 1 382.420 3.079 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000117673936 1413064361 /nfs/dbraw/zinc/06/43/61/1413064361.db2.gz UTFQUYWJQJIOME-KDOFPFPSSA-N 1 1 397.903 3.044 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000117673938 1413064648 /nfs/dbraw/zinc/06/46/48/1413064648.db2.gz UTFQUYWJQJIOME-RDTXWAMCSA-N 1 1 397.903 3.044 20 5 GGBDMO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000117864631 1413084793 /nfs/dbraw/zinc/08/47/93/1413084793.db2.gz SJPGASBAJSOIFQ-QGZVFWFLSA-N 1 1 382.420 3.363 20 5 GGBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000117864631 1413084801 /nfs/dbraw/zinc/08/48/01/1413084801.db2.gz SJPGASBAJSOIFQ-QGZVFWFLSA-N 1 1 382.420 3.363 20 5 GGBDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000117892049 1413087297 /nfs/dbraw/zinc/08/72/97/1413087297.db2.gz NIDMHDOKGRDUQM-LJQANCHMSA-N 1 1 399.447 3.394 20 5 GGBDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000117892049 1413087304 /nfs/dbraw/zinc/08/73/04/1413087304.db2.gz NIDMHDOKGRDUQM-LJQANCHMSA-N 1 1 399.447 3.394 20 5 GGBDMO C[C@@H](c1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000118031785 1413100607 /nfs/dbraw/zinc/10/06/07/1413100607.db2.gz PIADONDYRBDGSB-INIZCTEOSA-N 1 1 398.463 3.352 20 5 GGBDMO CCc1ccc2c(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc(=O)oc2c1 ZINC000118865990 1413253224 /nfs/dbraw/zinc/25/32/24/1413253224.db2.gz IIHBSHNDSRPQDS-INIZCTEOSA-N 1 1 394.431 3.345 20 5 GGBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000119057520 1413319455 /nfs/dbraw/zinc/31/94/55/1413319455.db2.gz WKWHUNXSSKOVLI-QZTJIDSGSA-N 1 1 387.436 3.002 20 5 GGBDMO COCCCOC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000119065725 1413323732 /nfs/dbraw/zinc/32/37/32/1413323732.db2.gz FKQRLQYRNRGWKA-UHFFFAOYSA-N 1 1 375.425 3.267 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000119411395 1413438507 /nfs/dbraw/zinc/43/85/07/1413438507.db2.gz NLXPKBDRYSOOEG-MRXNPFEDSA-N 1 1 390.443 3.490 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000119411395 1413438511 /nfs/dbraw/zinc/43/85/11/1413438511.db2.gz NLXPKBDRYSOOEG-MRXNPFEDSA-N 1 1 390.443 3.490 20 5 GGBDMO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000119573774 1413489828 /nfs/dbraw/zinc/48/98/28/1413489828.db2.gz UWQOBDLCMGKCNZ-INIZCTEOSA-N 1 1 382.464 3.183 20 5 GGBDMO COc1cc([C@@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])ccc1OCCO ZINC000119681340 1413529796 /nfs/dbraw/zinc/52/97/96/1413529796.db2.gz LCIYEBJJIFZBPO-GFCCVEGCSA-N 1 1 380.828 3.479 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119687987 1413531828 /nfs/dbraw/zinc/53/18/28/1413531828.db2.gz LQHPBRNHGVOHNP-BTYIYWSLSA-N 1 1 392.459 3.255 20 5 GGBDMO Cn1cc(Cl)cc1C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000119973378 1413638040 /nfs/dbraw/zinc/63/80/40/1413638040.db2.gz KOOHHONQYWNQAM-UHFFFAOYSA-N 1 1 378.816 3.017 20 5 GGBDMO Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000120144122 1413704956 /nfs/dbraw/zinc/70/49/56/1413704956.db2.gz OVOPJNCGYQSHFE-INIZCTEOSA-N 1 1 383.452 3.199 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000120149527 1413707625 /nfs/dbraw/zinc/70/76/25/1413707625.db2.gz DPOJOQIFYVMETA-UHFFFAOYSA-N 1 1 383.464 3.317 20 5 GGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120187164 1413723659 /nfs/dbraw/zinc/72/36/59/1413723659.db2.gz ZJBZRFUFVIXRQD-SFHVURJKSA-N 1 1 376.501 3.337 20 5 GGBDMO O=C1CC[C@@H]2C[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]2N1C1CC1 ZINC000120192181 1413725538 /nfs/dbraw/zinc/72/55/38/1413725538.db2.gz NJDSVDGPBORHLR-DNVCBOLYSA-N 1 1 396.447 3.225 20 5 GGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]2N1C1CC1 ZINC000120192181 1413725546 /nfs/dbraw/zinc/72/55/46/1413725546.db2.gz NJDSVDGPBORHLR-DNVCBOLYSA-N 1 1 396.447 3.225 20 5 GGBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000120200731 1413728646 /nfs/dbraw/zinc/72/86/46/1413728646.db2.gz HEJIOIQXRRLSTA-INIZCTEOSA-N 1 1 375.812 3.000 20 5 GGBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000120200731 1413728654 /nfs/dbraw/zinc/72/86/54/1413728654.db2.gz HEJIOIQXRRLSTA-INIZCTEOSA-N 1 1 375.812 3.000 20 5 GGBDMO CC1CC[NH+](C[C@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000120207129 1413730664 /nfs/dbraw/zinc/73/06/64/1413730664.db2.gz FDPCKPIXJJQSLE-SFHVURJKSA-N 1 1 388.512 3.367 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000120242652 1413747791 /nfs/dbraw/zinc/74/77/91/1413747791.db2.gz ZBRJSLUOQUXWGP-MRXNPFEDSA-N 1 1 378.473 3.080 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000120241813 1413747949 /nfs/dbraw/zinc/74/79/49/1413747949.db2.gz QIHPKQPNGJJZFJ-HUUCEWRRSA-N 1 1 378.473 3.221 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cc(Cl)cn2C)c([N+](=O)[O-])c1 ZINC000120246336 1413749928 /nfs/dbraw/zinc/74/99/28/1413749928.db2.gz NEDXASVOUJKHAR-UHFFFAOYSA-N 1 1 380.832 3.056 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000120258354 1413755847 /nfs/dbraw/zinc/75/58/47/1413755847.db2.gz HYZJMVRHLOYQSI-UHFFFAOYSA-N 1 1 386.452 3.130 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000120258354 1413755850 /nfs/dbraw/zinc/75/58/50/1413755850.db2.gz HYZJMVRHLOYQSI-UHFFFAOYSA-N 1 1 386.452 3.130 20 5 GGBDMO CN(C)c1cccc(C[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000120269504 1413761665 /nfs/dbraw/zinc/76/16/65/1413761665.db2.gz LYRZJZOJJPNROL-UHFFFAOYSA-N 1 1 384.436 3.091 20 5 GGBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000177473342 1428756366 /nfs/dbraw/zinc/75/63/66/1428756366.db2.gz KRTXCRQRMSJVGV-NVXWUHKLSA-N 1 1 382.464 3.268 20 5 GGBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000120320810 1413784278 /nfs/dbraw/zinc/78/42/78/1413784278.db2.gz VBDZUESFAPJZIA-WMZOPIPTSA-N 1 1 381.432 3.117 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000120324359 1413787216 /nfs/dbraw/zinc/78/72/16/1413787216.db2.gz MEASWVNWLSQOOF-AWEZNQCLSA-N 1 1 386.452 3.128 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000120324359 1413787220 /nfs/dbraw/zinc/78/72/20/1413787220.db2.gz MEASWVNWLSQOOF-AWEZNQCLSA-N 1 1 386.452 3.128 20 5 GGBDMO O=S1(=O)CC[C@@H](N2CC[NH+](Cc3c4ccccc4cc4ccccc43)CC2)C1 ZINC000120414409 1413812724 /nfs/dbraw/zinc/81/27/24/1413812724.db2.gz UEGNKVNOLUMVFH-HXUWFJFHSA-N 1 1 394.540 3.298 20 5 GGBDMO Cc1c(CC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000120416833 1413813092 /nfs/dbraw/zinc/81/30/92/1413813092.db2.gz ODFYRNLKQIACCT-LJQANCHMSA-N 1 1 381.476 3.127 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1Cc1ccccc1 ZINC000177477439 1428759128 /nfs/dbraw/zinc/75/91/28/1428759128.db2.gz DGSYRSIRFHHDSC-BBRMVZONSA-N 1 1 386.427 3.099 20 5 GGBDMO C[N@H+]1CCC[C@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000120534601 1413838363 /nfs/dbraw/zinc/83/83/63/1413838363.db2.gz BJOFESLUXXPZFX-AWEZNQCLSA-N 1 1 386.418 3.220 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120562887 1413844089 /nfs/dbraw/zinc/84/40/89/1413844089.db2.gz NSTDDRGQOFKPMX-UHFFFAOYSA-N 1 1 391.374 3.269 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120562887 1413844092 /nfs/dbraw/zinc/84/40/92/1413844092.db2.gz NSTDDRGQOFKPMX-UHFFFAOYSA-N 1 1 391.374 3.269 20 5 GGBDMO COc1ccc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000177479119 1428760193 /nfs/dbraw/zinc/76/01/93/1428760193.db2.gz ZMAHKDXFAQXPRU-IAGOWNOFSA-N 1 1 391.512 3.315 20 5 GGBDMO CC(C)Oc1cccc(C[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000120633954 1413860875 /nfs/dbraw/zinc/86/08/75/1413860875.db2.gz RCALGOYZRIAMJZ-UHFFFAOYSA-N 1 1 383.448 3.403 20 5 GGBDMO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000120633954 1413860877 /nfs/dbraw/zinc/86/08/77/1413860877.db2.gz RCALGOYZRIAMJZ-UHFFFAOYSA-N 1 1 383.448 3.403 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)c([N+](=O)[O-])c1 ZINC000120636860 1413862131 /nfs/dbraw/zinc/86/21/31/1413862131.db2.gz QLCVRPJLQFVEMK-UHFFFAOYSA-N 1 1 385.420 3.160 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+](Cc2cccc(O)c2)CC2CC2)c([N+](=O)[O-])c1 ZINC000120636860 1413862134 /nfs/dbraw/zinc/86/21/34/1413862134.db2.gz QLCVRPJLQFVEMK-UHFFFAOYSA-N 1 1 385.420 3.160 20 5 GGBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000120837553 1413921305 /nfs/dbraw/zinc/92/13/05/1413921305.db2.gz WWEJGBMFYRFVKK-SUMWQHHRSA-N 1 1 375.450 3.447 20 5 GGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000120837553 1413921308 /nfs/dbraw/zinc/92/13/08/1413921308.db2.gz WWEJGBMFYRFVKK-SUMWQHHRSA-N 1 1 375.450 3.447 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000120843096 1413923306 /nfs/dbraw/zinc/92/33/06/1413923306.db2.gz IXYOMUXKTGGSPY-UHFFFAOYSA-N 1 1 378.473 3.034 20 5 GGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)sc2C1 ZINC000121072420 1413997215 /nfs/dbraw/zinc/99/72/15/1413997215.db2.gz QNWOHSJWNLGSAO-UHFFFAOYSA-N 1 1 383.433 3.230 20 5 GGBDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)sc2C1 ZINC000121072420 1413997219 /nfs/dbraw/zinc/99/72/19/1413997219.db2.gz QNWOHSJWNLGSAO-UHFFFAOYSA-N 1 1 383.433 3.230 20 5 GGBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121120028 1414014268 /nfs/dbraw/zinc/01/42/68/1414014268.db2.gz SCELCBHKJOBAGF-GDBMZVCRSA-N 1 1 387.484 3.227 20 5 GGBDMO C[NH+]1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000121123626 1414015826 /nfs/dbraw/zinc/01/58/26/1414015826.db2.gz VNWOWMQMXLKNIS-SFHVURJKSA-N 1 1 388.855 3.175 20 5 GGBDMO COc1ccc(C[C@H](C)C[N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000121459131 1414133396 /nfs/dbraw/zinc/13/33/96/1414133396.db2.gz LPVWAZAYQUTBRH-LBPRGKRZSA-N 1 1 397.273 3.331 20 5 GGBDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000121459131 1414133404 /nfs/dbraw/zinc/13/34/04/1414133404.db2.gz LPVWAZAYQUTBRH-LBPRGKRZSA-N 1 1 397.273 3.331 20 5 GGBDMO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177549693 1428789211 /nfs/dbraw/zinc/78/92/11/1428789211.db2.gz GRWZPUOPPLIGOY-DZGCQCFKSA-N 1 1 383.404 3.140 20 5 GGBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177549693 1428789216 /nfs/dbraw/zinc/78/92/16/1428789216.db2.gz GRWZPUOPPLIGOY-DZGCQCFKSA-N 1 1 383.404 3.140 20 5 GGBDMO COc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000121814273 1414266264 /nfs/dbraw/zinc/26/62/64/1414266264.db2.gz JEOXEFOLLRGPJV-YOEHRIQHSA-N 1 1 384.436 3.245 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000121826758 1414270628 /nfs/dbraw/zinc/27/06/28/1414270628.db2.gz XZEKSNDVSCXNDB-HNNXBMFYSA-N 1 1 395.525 3.328 20 5 GGBDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121866443 1414284277 /nfs/dbraw/zinc/28/42/77/1414284277.db2.gz BXLRKESVUMGLJT-LLVKDONJSA-N 1 1 383.857 3.089 20 5 GGBDMO CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000122276689 1414408916 /nfs/dbraw/zinc/40/89/16/1414408916.db2.gz WHAISLJOJNXBRW-CVEARBPZSA-N 1 1 389.500 3.046 20 5 GGBDMO CCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000122276689 1414408923 /nfs/dbraw/zinc/40/89/23/1414408923.db2.gz WHAISLJOJNXBRW-CVEARBPZSA-N 1 1 389.500 3.046 20 5 GGBDMO COCCCOC1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000122482306 1414477027 /nfs/dbraw/zinc/47/70/27/1414477027.db2.gz VIGXMTTZNYGUGR-AWEZNQCLSA-N 1 1 390.440 3.223 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@H+]1CCc2ccccc2C1 ZINC000122556186 1414499617 /nfs/dbraw/zinc/49/96/17/1414499617.db2.gz ZQHUFEJRDOJLQV-HNNXBMFYSA-N 1 1 390.443 3.320 20 5 GGBDMO C[C@H](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000122840334 1414578124 /nfs/dbraw/zinc/57/81/24/1414578124.db2.gz KAAOJTAYMAMJAR-OAHLLOKOSA-N 1 1 391.493 3.321 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000122843596 1414578859 /nfs/dbraw/zinc/57/88/59/1414578859.db2.gz KISHUDGRWJQYON-UHFFFAOYSA-N 1 1 382.464 3.314 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000177645043 1428821687 /nfs/dbraw/zinc/82/16/87/1428821687.db2.gz BBRYLRIDNRNRTN-UHFFFAOYSA-N 1 1 388.424 3.141 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000123185526 1414663164 /nfs/dbraw/zinc/66/31/64/1414663164.db2.gz ISTMSCNPTKLDFM-KGLIPLIRSA-N 1 1 376.457 3.378 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000123184869 1414663488 /nfs/dbraw/zinc/66/34/88/1414663488.db2.gz ISTMSCNPTKLDFM-UONOGXRCSA-N 1 1 376.457 3.378 20 5 GGBDMO COc1ccccc1[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000123355183 1414705368 /nfs/dbraw/zinc/70/53/68/1414705368.db2.gz CMEILGZUENZKCM-LJQANCHMSA-N 1 1 396.447 3.046 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)n2)c1 ZINC000123628901 1414800278 /nfs/dbraw/zinc/80/02/78/1414800278.db2.gz GVWMKLDLOFGBPH-HZPDHXFCSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)n2)c1 ZINC000123628901 1414800281 /nfs/dbraw/zinc/80/02/81/1414800281.db2.gz GVWMKLDLOFGBPH-HZPDHXFCSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)n2)c1 ZINC000123628628 1414800316 /nfs/dbraw/zinc/80/03/16/1414800316.db2.gz GVWMKLDLOFGBPH-CVEARBPZSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)n2)c1 ZINC000123628628 1414800319 /nfs/dbraw/zinc/80/03/19/1414800319.db2.gz GVWMKLDLOFGBPH-CVEARBPZSA-N 1 1 390.465 3.131 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000123735099 1414817501 /nfs/dbraw/zinc/81/75/01/1414817501.db2.gz RPSDIXLSBSFHOD-SJORKVTESA-N 1 1 393.509 3.218 20 5 GGBDMO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123922389 1414850436 /nfs/dbraw/zinc/85/04/36/1414850436.db2.gz NPPODXSCPIOPMJ-BZNIZROVSA-N 1 1 381.791 3.403 20 5 GGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123922389 1414850437 /nfs/dbraw/zinc/85/04/37/1414850437.db2.gz NPPODXSCPIOPMJ-BZNIZROVSA-N 1 1 381.791 3.403 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc2)C[C@@H](C)O1 ZINC000124088744 1414883059 /nfs/dbraw/zinc/88/30/59/1414883059.db2.gz OSMGUYOYNGSAKQ-HZPDHXFCSA-N 1 1 395.459 3.407 20 5 GGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124158190 1414897406 /nfs/dbraw/zinc/89/74/06/1414897406.db2.gz VMSIGSMEBPFJHY-KRWDZBQOSA-N 1 1 381.432 3.457 20 5 GGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124158408 1414897556 /nfs/dbraw/zinc/89/75/56/1414897556.db2.gz VMSIGSMEBPFJHY-QGZVFWFLSA-N 1 1 381.432 3.457 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124171698 1414899701 /nfs/dbraw/zinc/89/97/01/1414899701.db2.gz OTJZYCGCIAYOSV-DOTOQJQBSA-N 1 1 383.448 3.495 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000124356680 1414947951 /nfs/dbraw/zinc/94/79/51/1414947951.db2.gz YQGCWTKMZODDEB-MRXNPFEDSA-N 1 1 399.495 3.093 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000124414878 1414962383 /nfs/dbraw/zinc/96/23/83/1414962383.db2.gz ZLWJDAQXJAKVSC-KRWDZBQOSA-N 1 1 376.501 3.271 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000124414661 1414962495 /nfs/dbraw/zinc/96/24/95/1414962495.db2.gz ZLWJDAQXJAKVSC-QGZVFWFLSA-N 1 1 376.501 3.271 20 5 GGBDMO C[N@@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](c2ccccc2)C1 ZINC000124553262 1414992140 /nfs/dbraw/zinc/99/21/40/1414992140.db2.gz YPFUHCPSVRPPNL-SFHVURJKSA-N 1 1 379.420 3.134 20 5 GGBDMO C[N@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](c2ccccc2)C1 ZINC000124553262 1414992144 /nfs/dbraw/zinc/99/21/44/1414992144.db2.gz YPFUHCPSVRPPNL-SFHVURJKSA-N 1 1 379.420 3.134 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000124564821 1414995465 /nfs/dbraw/zinc/99/54/65/1414995465.db2.gz KHTHUFPPHXYJJQ-HXUWFJFHSA-N 1 1 382.464 3.221 20 5 GGBDMO Cc1c(NC(=O)CCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000124564821 1414995466 /nfs/dbraw/zinc/99/54/66/1414995466.db2.gz KHTHUFPPHXYJJQ-HXUWFJFHSA-N 1 1 382.464 3.221 20 5 GGBDMO Cc1c(NC(=O)CCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000124564821 1414995468 /nfs/dbraw/zinc/99/54/68/1414995468.db2.gz KHTHUFPPHXYJJQ-HXUWFJFHSA-N 1 1 382.464 3.221 20 5 GGBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124617155 1415006648 /nfs/dbraw/zinc/00/66/48/1415006648.db2.gz GULKJUNFBHMWDY-PMACEKPBSA-N 1 1 388.512 3.004 20 5 GGBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000124722759 1415029572 /nfs/dbraw/zinc/02/95/72/1415029572.db2.gz OKTCDQKFFNOLDT-OAHLLOKOSA-N 1 1 392.477 3.460 20 5 GGBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000124722759 1415029576 /nfs/dbraw/zinc/02/95/76/1415029576.db2.gz OKTCDQKFFNOLDT-OAHLLOKOSA-N 1 1 392.477 3.460 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000125057246 1415101212 /nfs/dbraw/zinc/10/12/12/1415101212.db2.gz SSQYRQTWPCVWPR-TZIWHRDSSA-N 1 1 383.448 3.430 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000125057246 1415101213 /nfs/dbraw/zinc/10/12/13/1415101213.db2.gz SSQYRQTWPCVWPR-TZIWHRDSSA-N 1 1 383.448 3.430 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177814455 1428863551 /nfs/dbraw/zinc/86/35/51/1428863551.db2.gz AMBKUHKPQLBZJG-ZBFHGGJFSA-N 1 1 386.477 3.417 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125770039 1415276123 /nfs/dbraw/zinc/27/61/23/1415276123.db2.gz ZSPWCYXSWWDDIM-OAHLLOKOSA-N 1 1 395.525 3.184 20 5 GGBDMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000125825512 1415291179 /nfs/dbraw/zinc/29/11/79/1415291179.db2.gz JIWYXXBILBNLQX-HNNXBMFYSA-N 1 1 380.880 3.443 20 5 GGBDMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000125825512 1415291186 /nfs/dbraw/zinc/29/11/86/1415291186.db2.gz JIWYXXBILBNLQX-HNNXBMFYSA-N 1 1 380.880 3.443 20 5 GGBDMO COCC[N@H+](CCCc1ccccc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000125983614 1415329751 /nfs/dbraw/zinc/32/97/51/1415329751.db2.gz QBNJCGQZBFAAFG-UHFFFAOYSA-N 1 1 385.420 3.041 20 5 GGBDMO COCC[N@@H+](CCCc1ccccc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000125983614 1415329757 /nfs/dbraw/zinc/32/97/57/1415329757.db2.gz QBNJCGQZBFAAFG-UHFFFAOYSA-N 1 1 385.420 3.041 20 5 GGBDMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2Cl)CC1 ZINC000126136279 1415366559 /nfs/dbraw/zinc/36/65/59/1415366559.db2.gz XMZBXCYKWIKKBN-UHFFFAOYSA-N 1 1 392.818 3.391 20 5 GGBDMO Cc1cccc(NCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[nH+]1 ZINC000126234299 1415390369 /nfs/dbraw/zinc/39/03/69/1415390369.db2.gz WDXGFTSFLVDPHY-UHFFFAOYSA-N 1 1 386.455 3.086 20 5 GGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000126376053 1415430286 /nfs/dbraw/zinc/43/02/86/1415430286.db2.gz WJZAJRHYXUVIGR-UHFFFAOYSA-N 1 1 382.464 3.055 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000126394903 1415436860 /nfs/dbraw/zinc/43/68/60/1415436860.db2.gz AYYCMLACRACMJA-UHFFFAOYSA-N 1 1 397.884 3.178 20 5 GGBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000126406816 1415442867 /nfs/dbraw/zinc/44/28/67/1415442867.db2.gz DVBSALVLFMLRRI-UHFFFAOYSA-N 1 1 382.464 3.375 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126674839 1415523753 /nfs/dbraw/zinc/52/37/53/1415523753.db2.gz IWDIHHIUMSSCFX-KSSFIOAISA-N 1 1 377.872 3.266 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126728024 1415541228 /nfs/dbraw/zinc/54/12/28/1415541228.db2.gz YUNHTAWCVITMAO-OXJNMPFZSA-N 1 1 386.496 3.262 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178046508 1428954742 /nfs/dbraw/zinc/95/47/42/1428954742.db2.gz LTGZIYSAMJCJCE-MRXNPFEDSA-N 1 1 383.448 3.245 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178046508 1428954748 /nfs/dbraw/zinc/95/47/48/1428954748.db2.gz LTGZIYSAMJCJCE-MRXNPFEDSA-N 1 1 383.448 3.245 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@H+]1Cc1ccccc1 ZINC000127057014 1415649659 /nfs/dbraw/zinc/64/96/59/1415649659.db2.gz DEEODHARPYWTLG-MAUKXSAKSA-N 1 1 392.459 3.398 20 5 GGBDMO O=C(NC[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000178062112 1428964068 /nfs/dbraw/zinc/96/40/68/1428964068.db2.gz ZJHAYFJCMJHQMZ-QGZVFWFLSA-N 1 1 383.448 3.116 20 5 GGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000127384524 1415760551 /nfs/dbraw/zinc/76/05/51/1415760551.db2.gz WOOVIQQUQFRIOK-QZTJIDSGSA-N 1 1 375.469 3.253 20 5 GGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000127384783 1415760695 /nfs/dbraw/zinc/76/06/95/1415760695.db2.gz WOOVIQQUQFRIOK-MSOLQXFVSA-N 1 1 375.469 3.253 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000127743769 1415842946 /nfs/dbraw/zinc/84/29/46/1415842946.db2.gz SNCHGJPYICDTJS-NVXWUHKLSA-N 1 1 392.500 3.470 20 5 GGBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)[nH+]c1 ZINC000127775212 1415848271 /nfs/dbraw/zinc/84/82/71/1415848271.db2.gz XNFJOLVMLHGXQE-UHFFFAOYSA-N 1 1 387.396 3.055 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000127836759 1415860222 /nfs/dbraw/zinc/86/02/22/1415860222.db2.gz IHLRNZZKSZBXRD-HLLBOEOZSA-N 1 1 390.484 3.317 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000127836759 1415860229 /nfs/dbraw/zinc/86/02/29/1415860229.db2.gz IHLRNZZKSZBXRD-HLLBOEOZSA-N 1 1 390.484 3.317 20 5 GGBDMO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CC(F)(F)F ZINC000128379627 1415974663 /nfs/dbraw/zinc/97/46/63/1415974663.db2.gz QVXHXPBDYAZEJM-ZDUSSCGKSA-N 1 1 398.385 3.361 20 5 GGBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CC(F)(F)F ZINC000128379627 1415974667 /nfs/dbraw/zinc/97/46/67/1415974667.db2.gz QVXHXPBDYAZEJM-ZDUSSCGKSA-N 1 1 398.385 3.361 20 5 GGBDMO O=C(CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128898770 1416095717 /nfs/dbraw/zinc/09/57/17/1416095717.db2.gz VRKNXALNLLOBEW-SUMWQHHRSA-N 1 1 391.399 3.244 20 5 GGBDMO O=C(CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128899013 1416096016 /nfs/dbraw/zinc/09/60/16/1416096016.db2.gz VRKNXALNLLOBEW-GUYCJALGSA-N 1 1 391.399 3.244 20 5 GGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000128928173 1416104538 /nfs/dbraw/zinc/10/45/38/1416104538.db2.gz XTKVWFKVWFCAFK-IRXDYDNUSA-N 1 1 379.432 3.342 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000178385746 1429066977 /nfs/dbraw/zinc/06/69/77/1429066977.db2.gz XEAAYZPOJYCRAD-UHFFFAOYSA-N 1 1 388.512 3.435 20 5 GGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000129174979 1416162670 /nfs/dbraw/zinc/16/26/70/1416162670.db2.gz HHKLYAWFBCSATF-OKILXGFUSA-N 1 1 395.525 3.324 20 5 GGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000129174979 1416162676 /nfs/dbraw/zinc/16/26/76/1416162676.db2.gz HHKLYAWFBCSATF-OKILXGFUSA-N 1 1 395.525 3.324 20 5 GGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000129175186 1416162848 /nfs/dbraw/zinc/16/28/48/1416162848.db2.gz HHKLYAWFBCSATF-ZIAGYGMSSA-N 1 1 395.525 3.324 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000129303934 1416188344 /nfs/dbraw/zinc/18/83/44/1416188344.db2.gz NQHQTZSOCDZQII-UHFFFAOYSA-N 1 1 377.485 3.114 20 5 GGBDMO O=C(CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129397095 1416202858 /nfs/dbraw/zinc/20/28/58/1416202858.db2.gz MCCKWNJWLTXSKL-NRFANRHFSA-N 1 1 399.422 3.236 20 5 GGBDMO O=C(CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129397095 1416202862 /nfs/dbraw/zinc/20/28/62/1416202862.db2.gz MCCKWNJWLTXSKL-NRFANRHFSA-N 1 1 399.422 3.236 20 5 GGBDMO C[N@H+]1CCC[C@H]1CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000178440073 1429077655 /nfs/dbraw/zinc/07/76/55/1429077655.db2.gz YBPQFIREQRZKQZ-HNNXBMFYSA-N 1 1 386.418 3.220 20 5 GGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000129557603 1416227855 /nfs/dbraw/zinc/22/78/55/1416227855.db2.gz DBGUFKPSKUGFIP-UHFFFAOYSA-N 1 1 397.884 3.314 20 5 GGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129572453 1416230451 /nfs/dbraw/zinc/23/04/51/1416230451.db2.gz OOCFKWUUCLCYFR-MRXNPFEDSA-N 1 1 375.404 3.240 20 5 GGBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000129607289 1416236270 /nfs/dbraw/zinc/23/62/70/1416236270.db2.gz MOIJKBAPXAFVBU-UHFFFAOYSA-N 1 1 394.431 3.332 20 5 GGBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000129607289 1416236274 /nfs/dbraw/zinc/23/62/74/1416236274.db2.gz MOIJKBAPXAFVBU-UHFFFAOYSA-N 1 1 394.431 3.332 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000129781071 1416263082 /nfs/dbraw/zinc/26/30/82/1416263082.db2.gz KNLDMADBOJRLJH-UHFFFAOYSA-N 1 1 385.468 3.300 20 5 GGBDMO COc1ccccc1[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000129858037 1416275504 /nfs/dbraw/zinc/27/55/04/1416275504.db2.gz GZQNSIWZZJFADL-GOSISDBHSA-N 1 1 382.420 3.117 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000129861935 1416275996 /nfs/dbraw/zinc/27/59/96/1416275996.db2.gz CBQQNWOASDIDDC-UHFFFAOYSA-N 1 1 388.471 3.256 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000129925599 1416286017 /nfs/dbraw/zinc/28/60/17/1416286017.db2.gz IJWRKLGJJTZCPD-AWEZNQCLSA-N 1 1 377.466 3.004 20 5 GGBDMO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129937991 1416288255 /nfs/dbraw/zinc/28/82/55/1416288255.db2.gz CISKFZXBJDUPHG-KRWDZBQOSA-N 1 1 377.466 3.086 20 5 GGBDMO O=C(CC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000130042230 1416307180 /nfs/dbraw/zinc/30/71/80/1416307180.db2.gz KNCYDDOYPICROT-KRWDZBQOSA-N 1 1 387.411 3.006 20 5 GGBDMO O=C(CC[N@H+]1CCO[C@@H](Cc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000130042230 1416307185 /nfs/dbraw/zinc/30/71/85/1416307185.db2.gz KNCYDDOYPICROT-KRWDZBQOSA-N 1 1 387.411 3.006 20 5 GGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000130660871 1416419115 /nfs/dbraw/zinc/41/91/15/1416419115.db2.gz KQVCVMWEBPURHO-INIZCTEOSA-N 1 1 385.468 3.022 20 5 GGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000130657651 1416419394 /nfs/dbraw/zinc/41/93/94/1416419394.db2.gz OKOZLCBNQWSMKU-KRWDZBQOSA-N 1 1 388.512 3.437 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000130745264 1416440778 /nfs/dbraw/zinc/44/07/78/1416440778.db2.gz UZFBOJJHHDMABR-INIZCTEOSA-N 1 1 376.501 3.497 20 5 GGBDMO O=C(c1c[nH]c2ccccc12)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000130994747 1416493202 /nfs/dbraw/zinc/49/32/02/1416493202.db2.gz BBYFIUVLLAGVPS-FQEVSTJZSA-N 1 1 389.415 3.486 20 5 GGBDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCOCC1 ZINC000131033691 1416498879 /nfs/dbraw/zinc/49/88/79/1416498879.db2.gz NWPANHYIGISUKC-IBGZPJMESA-N 1 1 399.447 3.068 20 5 GGBDMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCOCC1 ZINC000131033691 1416498882 /nfs/dbraw/zinc/49/88/82/1416498882.db2.gz NWPANHYIGISUKC-IBGZPJMESA-N 1 1 399.447 3.068 20 5 GGBDMO O=C([C@H]1CCCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCOCC1 ZINC000131041939 1416500164 /nfs/dbraw/zinc/50/01/64/1416500164.db2.gz VZFZFKAPRNYCDM-LJQANCHMSA-N 1 1 399.447 3.068 20 5 GGBDMO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCOCC1 ZINC000131041939 1416500171 /nfs/dbraw/zinc/50/01/71/1416500171.db2.gz VZFZFKAPRNYCDM-LJQANCHMSA-N 1 1 399.447 3.068 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)o2)c1 ZINC000131116427 1416511494 /nfs/dbraw/zinc/51/14/94/1416511494.db2.gz SIIVJQXXFJOXMO-KRWDZBQOSA-N 1 1 385.464 3.399 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000131128636 1416513093 /nfs/dbraw/zinc/51/30/93/1416513093.db2.gz ZRVXJZMTSFPBOY-UHFFFAOYSA-N 1 1 397.903 3.459 20 5 GGBDMO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000131213402 1416524149 /nfs/dbraw/zinc/52/41/49/1416524149.db2.gz JLZQFEHRFUEDTM-UHFFFAOYSA-N 1 1 393.447 3.140 20 5 GGBDMO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000131271408 1416532892 /nfs/dbraw/zinc/53/28/92/1416532892.db2.gz DSKOMYPTUVUDDV-WUUFJKRQSA-N 1 1 398.459 3.435 20 5 GGBDMO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000131271408 1416532896 /nfs/dbraw/zinc/53/28/96/1416532896.db2.gz DSKOMYPTUVUDDV-WUUFJKRQSA-N 1 1 398.459 3.435 20 5 GGBDMO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+]1CCc2ccccc2C1 ZINC000131323855 1416540252 /nfs/dbraw/zinc/54/02/52/1416540252.db2.gz XKPBHANMAKQKRZ-OAHLLOKOSA-N 1 1 392.459 3.182 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(OC[C@@H]4CCOC4)CC3)co2)cc1 ZINC000131624101 1416586058 /nfs/dbraw/zinc/58/60/58/1416586058.db2.gz FBRCOSXYMLKHJV-OAHLLOKOSA-N 1 1 387.436 3.267 20 5 GGBDMO C[N@H+](Cc1ccccc1N1CCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000131655972 1416591694 /nfs/dbraw/zinc/59/16/94/1416591694.db2.gz MLJSBWPKBCYFRZ-OAQYLSRUSA-N 1 1 394.475 3.432 20 5 GGBDMO C[N@@H+](Cc1ccccc1N1CCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000131655972 1416591698 /nfs/dbraw/zinc/59/16/98/1416591698.db2.gz MLJSBWPKBCYFRZ-OAQYLSRUSA-N 1 1 394.475 3.432 20 5 GGBDMO COc1cccc([C@H](C)[NH+]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000178580908 1429112770 /nfs/dbraw/zinc/11/27/70/1429112770.db2.gz WXLWDTMPMIEAHA-KKSFZXQISA-N 1 1 385.464 3.016 20 5 GGBDMO COc1cccc([C@@H](C)[NH+]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000178580950 1429113735 /nfs/dbraw/zinc/11/37/35/1429113735.db2.gz WXLWDTMPMIEAHA-IIBYNOLFSA-N 1 1 385.464 3.016 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000131874333 1416639186 /nfs/dbraw/zinc/63/91/86/1416639186.db2.gz SDEZYNZSBSUFGS-OAHLLOKOSA-N 1 1 398.419 3.240 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000131874560 1416639325 /nfs/dbraw/zinc/63/93/25/1416639325.db2.gz SDEZYNZSBSUFGS-HNNXBMFYSA-N 1 1 398.419 3.240 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000131904404 1416646502 /nfs/dbraw/zinc/64/65/02/1416646502.db2.gz GIULJALWOLKZKR-SFHVURJKSA-N 1 1 397.475 3.487 20 5 GGBDMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000131924730 1416652339 /nfs/dbraw/zinc/65/23/39/1416652339.db2.gz PLNIZKKNNFMOKJ-MRXNPFEDSA-N 1 1 383.448 3.340 20 5 GGBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000132134589 1416705163 /nfs/dbraw/zinc/70/51/63/1416705163.db2.gz XSVOSIYKTNAZSD-VQIMIIECSA-N 1 1 399.495 3.001 20 5 GGBDMO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000132486383 1416771271 /nfs/dbraw/zinc/77/12/71/1416771271.db2.gz YRWHQBQIGICZDU-YLJYHZDGSA-N 1 1 397.475 3.485 20 5 GGBDMO C[C@@H]1C[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000132524876 1416778123 /nfs/dbraw/zinc/77/81/23/1416778123.db2.gz VWBWEUADDBFZEV-MJGOQNOKSA-N 1 1 397.475 3.485 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000132532733 1416779985 /nfs/dbraw/zinc/77/99/85/1416779985.db2.gz IZFBVTAXOQNEBU-ICSRJNTNSA-N 1 1 385.464 3.125 20 5 GGBDMO COc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)c(OC)c1 ZINC000132593690 1416790383 /nfs/dbraw/zinc/79/03/83/1416790383.db2.gz NOFFQWOXKDDRKJ-UHFFFAOYSA-N 1 1 389.452 3.074 20 5 GGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000132738395 1416809641 /nfs/dbraw/zinc/80/96/41/1416809641.db2.gz KUKOWAQCRGVLBY-UHFFFAOYSA-N 1 1 394.475 3.327 20 5 GGBDMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000178682973 1429140258 /nfs/dbraw/zinc/14/02/58/1429140258.db2.gz NQTFIVSCTZQGCX-KRWDZBQOSA-N 1 1 397.475 3.360 20 5 GGBDMO C[N@H+]1CCC[C@@H]2CN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133667229 1416935340 /nfs/dbraw/zinc/93/53/40/1416935340.db2.gz XHZCABUZUPBJFR-PWSUYJOCSA-N 1 1 388.346 3.442 20 5 GGBDMO Cc1csc(N2CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000133811783 1416968179 /nfs/dbraw/zinc/96/81/79/1416968179.db2.gz CRVVQQXWNFLSCE-UHFFFAOYSA-N 1 1 398.492 3.082 20 5 GGBDMO COc1cc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000134013393 1417009852 /nfs/dbraw/zinc/00/98/52/1417009852.db2.gz TWAFLMJFBNTXKH-AEFFLSMTSA-N 1 1 381.432 3.360 20 5 GGBDMO CC[C@H](O)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000134480999 1417074958 /nfs/dbraw/zinc/07/49/58/1417074958.db2.gz RTHBQGWUWXMXDK-SFHVURJKSA-N 1 1 382.420 3.418 20 5 GGBDMO CC[C@H](O)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000134480999 1417074963 /nfs/dbraw/zinc/07/49/63/1417074963.db2.gz RTHBQGWUWXMXDK-SFHVURJKSA-N 1 1 382.420 3.418 20 5 GGBDMO CC[C@H](O)C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000134506424 1417078464 /nfs/dbraw/zinc/07/84/64/1417078464.db2.gz RRXMWIINERVYHT-SFHVURJKSA-N 1 1 399.447 3.166 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134621480 1417098916 /nfs/dbraw/zinc/09/89/16/1417098916.db2.gz GXWOFIWLEGSCEB-DZGCQCFKSA-N 1 1 379.457 3.481 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134621480 1417098922 /nfs/dbraw/zinc/09/89/22/1417098922.db2.gz GXWOFIWLEGSCEB-DZGCQCFKSA-N 1 1 379.457 3.481 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134621516 1417099033 /nfs/dbraw/zinc/09/90/33/1417099033.db2.gz GXWOFIWLEGSCEB-ZFWWWQNUSA-N 1 1 379.457 3.481 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134621516 1417099039 /nfs/dbraw/zinc/09/90/39/1417099039.db2.gz GXWOFIWLEGSCEB-ZFWWWQNUSA-N 1 1 379.457 3.481 20 5 GGBDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000134645325 1417104077 /nfs/dbraw/zinc/10/40/77/1417104077.db2.gz IXSKMUBBXGNFLL-ZFWWWQNUSA-N 1 1 379.457 3.481 20 5 GGBDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000134645325 1417104082 /nfs/dbraw/zinc/10/40/82/1417104082.db2.gz IXSKMUBBXGNFLL-ZFWWWQNUSA-N 1 1 379.457 3.481 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000134651629 1417106071 /nfs/dbraw/zinc/10/60/71/1417106071.db2.gz HQZVNJPTXPUBPK-HUUCEWRRSA-N 1 1 379.457 3.351 20 5 GGBDMO C[C@H](N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1)C(F)(F)F ZINC000178742324 1429158881 /nfs/dbraw/zinc/15/88/81/1429158881.db2.gz FKQSHCVGBSZADI-ZDUSSCGKSA-N 1 1 398.385 3.361 20 5 GGBDMO C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@@H+](C)Cc1ccccc1 ZINC000134664152 1417109482 /nfs/dbraw/zinc/10/94/82/1417109482.db2.gz HORGKZXHLVLPOU-MRXNPFEDSA-N 1 1 393.447 3.031 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000134669195 1417110384 /nfs/dbraw/zinc/11/03/84/1417110384.db2.gz YNYMRJXQJABAJI-GJZGRUSLSA-N 1 1 379.457 3.351 20 5 GGBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000134769573 1417122851 /nfs/dbraw/zinc/12/28/51/1417122851.db2.gz IMSHXNUTJSZFNK-SFHVURJKSA-N 1 1 397.479 3.011 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000134824773 1417131825 /nfs/dbraw/zinc/13/18/25/1417131825.db2.gz SVMJHSBOXJSIKT-IBGZPJMESA-N 1 1 392.459 3.399 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134902120 1417141879 /nfs/dbraw/zinc/14/18/79/1417141879.db2.gz MPSZZWWAEFVIDN-UZLBHIALSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134902120 1417141891 /nfs/dbraw/zinc/14/18/91/1417141891.db2.gz MPSZZWWAEFVIDN-UZLBHIALSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134902120 1417141892 /nfs/dbraw/zinc/14/18/92/1417141892.db2.gz MPSZZWWAEFVIDN-UZLBHIALSA-N 1 1 386.496 3.181 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000134933933 1417147552 /nfs/dbraw/zinc/14/75/52/1417147552.db2.gz MPLSCPMXUKBRAY-CRAIPNDOSA-N 1 1 383.452 3.094 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C1CC1 ZINC000135220707 1417190700 /nfs/dbraw/zinc/19/07/00/1417190700.db2.gz MXEOVELHUWFKHZ-QGZVFWFLSA-N 1 1 381.432 3.480 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)C1CC1 ZINC000135220707 1417190709 /nfs/dbraw/zinc/19/07/09/1417190709.db2.gz MXEOVELHUWFKHZ-QGZVFWFLSA-N 1 1 381.432 3.480 20 5 GGBDMO O=C(CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC(=O)Nc1ccccc1 ZINC000135233885 1417193118 /nfs/dbraw/zinc/19/31/18/1417193118.db2.gz MXQZPRAGYLYXMX-UHFFFAOYSA-N 1 1 382.420 3.298 20 5 GGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000136016950 1417286581 /nfs/dbraw/zinc/28/65/81/1417286581.db2.gz QUHNFRXRLZLRRV-SECBINFHSA-N 1 1 392.681 3.471 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000136117307 1417293720 /nfs/dbraw/zinc/29/37/20/1417293720.db2.gz LUBLFPPVPGZXPG-HNNXBMFYSA-N 1 1 377.828 3.290 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000136210784 1417301338 /nfs/dbraw/zinc/30/13/38/1417301338.db2.gz NHSMNFHVYPWOSN-IBGZPJMESA-N 1 1 388.468 3.061 20 5 GGBDMO COc1ccc(C(=O)C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000136898436 1417353607 /nfs/dbraw/zinc/35/36/07/1417353607.db2.gz ZPOUSYDEAZFTTG-FQEVSTJZSA-N 1 1 384.432 3.232 20 5 GGBDMO Cc1c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137489428 1417388720 /nfs/dbraw/zinc/38/87/20/1417388720.db2.gz DNGHZHKWZXMBSV-BBRMVZONSA-N 1 1 398.419 3.204 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000138257524 1417408971 /nfs/dbraw/zinc/40/89/71/1417408971.db2.gz KZJBLFUBCFGUFJ-LSDHHAIUSA-N 1 1 395.525 3.184 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000139593707 1417465611 /nfs/dbraw/zinc/46/56/11/1417465611.db2.gz JCHUAGXQWJLGFC-UHFFFAOYSA-N 1 1 383.374 3.059 20 5 GGBDMO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000139793041 1417473879 /nfs/dbraw/zinc/47/38/79/1417473879.db2.gz WQDRJZRBVJYGEF-CYBMUJFWSA-N 1 1 378.379 3.474 20 5 GGBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140035447 1417485809 /nfs/dbraw/zinc/48/58/09/1417485809.db2.gz YYSIMZSMEQNICY-HNNXBMFYSA-N 1 1 389.477 3.064 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000140301825 1417497743 /nfs/dbraw/zinc/49/77/43/1417497743.db2.gz FTQCKXHKZDSGTR-SFHVURJKSA-N 1 1 384.436 3.473 20 5 GGBDMO CNC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000142813232 1417600008 /nfs/dbraw/zinc/60/00/08/1417600008.db2.gz QSKNKSDLXJOEAZ-AWEZNQCLSA-N 1 1 388.493 3.340 20 5 GGBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000146243090 1417713437 /nfs/dbraw/zinc/71/34/37/1417713437.db2.gz YFAYVPDAJFDLRV-GUTXKFCHSA-N 1 1 396.875 3.354 20 5 GGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000146243090 1417713442 /nfs/dbraw/zinc/71/34/42/1417713442.db2.gz YFAYVPDAJFDLRV-GUTXKFCHSA-N 1 1 396.875 3.354 20 5 GGBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000148412439 1417763866 /nfs/dbraw/zinc/76/38/66/1417763866.db2.gz FIACEFRKOBZLOI-UHFFFAOYSA-N 1 1 389.452 3.052 20 5 GGBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000148851850 1417768685 /nfs/dbraw/zinc/76/86/85/1417768685.db2.gz XAJQHRJQMWICFT-OAHLLOKOSA-N 1 1 388.493 3.368 20 5 GGBDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000150297654 1417788272 /nfs/dbraw/zinc/78/82/72/1417788272.db2.gz GYGKWRWAJALNHW-UHFFFAOYSA-N 1 1 382.464 3.293 20 5 GGBDMO CNC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000150875534 1417825785 /nfs/dbraw/zinc/82/57/85/1417825785.db2.gz CVHGQYFVASGURP-APWZRJJASA-N 1 1 396.491 3.444 20 5 GGBDMO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000150875500 1417825916 /nfs/dbraw/zinc/82/59/16/1417825916.db2.gz CVHGQYFVASGURP-QFBILLFUSA-N 1 1 396.491 3.444 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000151250864 1417903616 /nfs/dbraw/zinc/90/36/16/1417903616.db2.gz KBLFSFKXPYOBIT-UHFFFAOYSA-N 1 1 397.479 3.189 20 5 GGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000151439525 1417969417 /nfs/dbraw/zinc/96/94/17/1417969417.db2.gz YUZKBXBODFJQKN-UHFFFAOYSA-N 1 1 388.468 3.048 20 5 GGBDMO Cc1c(NC(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000151460888 1417981337 /nfs/dbraw/zinc/98/13/37/1417981337.db2.gz UIRIJSAWXCENSS-UHFFFAOYSA-N 1 1 397.479 3.189 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151684830 1418060312 /nfs/dbraw/zinc/06/03/12/1418060312.db2.gz ZLJKNDFCKCZGFV-YJBOKZPZSA-N 1 1 387.436 3.413 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151790406 1418087108 /nfs/dbraw/zinc/08/71/08/1418087108.db2.gz DXCBTRWPUJMLNE-YJBOKZPZSA-N 1 1 387.436 3.413 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)o2)cc1 ZINC000151965081 1418107761 /nfs/dbraw/zinc/10/77/61/1418107761.db2.gz PKMRCADZURPBIO-CVEARBPZSA-N 1 1 384.392 3.326 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)o2)cc1 ZINC000151965081 1418107769 /nfs/dbraw/zinc/10/77/69/1418107769.db2.gz PKMRCADZURPBIO-CVEARBPZSA-N 1 1 384.392 3.326 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000152032965 1418126334 /nfs/dbraw/zinc/12/63/34/1418126334.db2.gz KYCGOKKFIJSONR-QZTJIDSGSA-N 1 1 398.511 3.397 20 5 GGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000179253100 1429305967 /nfs/dbraw/zinc/30/59/67/1429305967.db2.gz GLPHPKMBRVUFQE-GUYCJALGSA-N 1 1 375.812 3.307 20 5 GGBDMO O=[N+]([O-])c1c(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc2ncccc21 ZINC000179261245 1429306969 /nfs/dbraw/zinc/30/69/69/1429306969.db2.gz LCKDWNMRKFXVBZ-IAGOWNOFSA-N 1 1 378.432 3.190 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](C4OCCO4)C3)cs2)c1 ZINC000179366291 1429346922 /nfs/dbraw/zinc/34/69/22/1429346922.db2.gz FZGAAUZQCFRRSM-AWEZNQCLSA-N 1 1 375.450 3.303 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000179450594 1429381056 /nfs/dbraw/zinc/38/10/56/1429381056.db2.gz JNMHPXYDOWAMJH-XOBRGWDASA-N 1 1 382.464 3.094 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000179450586 1429381413 /nfs/dbraw/zinc/38/14/13/1429381413.db2.gz JNMHPXYDOWAMJH-VBKZILBWSA-N 1 1 382.464 3.094 20 5 GGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000179548147 1429424022 /nfs/dbraw/zinc/42/40/22/1429424022.db2.gz FIEQVOZLKYRWGZ-UHFFFAOYSA-N 1 1 390.443 3.409 20 5 GGBDMO Cn1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(-c2ccccc2)n1 ZINC000179559970 1429432005 /nfs/dbraw/zinc/43/20/05/1429432005.db2.gz JUPKGRBSGMNMPN-UHFFFAOYSA-N 1 1 377.448 3.318 20 5 GGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1CCc2sccc2C1 ZINC000179581392 1429450415 /nfs/dbraw/zinc/45/04/15/1429450415.db2.gz TUEMPYIBQZOSDE-CYBMUJFWSA-N 1 1 396.472 3.381 20 5 GGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@H+]1CCc2sccc2C1 ZINC000179581392 1429450418 /nfs/dbraw/zinc/45/04/18/1429450418.db2.gz TUEMPYIBQZOSDE-CYBMUJFWSA-N 1 1 396.472 3.381 20 5 GGBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc2ccccc2c2cccnc12 ZINC000179610708 1429470110 /nfs/dbraw/zinc/47/01/10/1429470110.db2.gz WATKCBPDFBXPHG-SFHVURJKSA-N 1 1 377.488 3.355 20 5 GGBDMO C[N@@H+](CCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC000152383566 1422089317 /nfs/dbraw/zinc/08/93/17/1422089317.db2.gz JAXZKLPVRRYQJR-UHFFFAOYSA-N 1 1 382.464 3.185 20 5 GGBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000152565428 1422147301 /nfs/dbraw/zinc/14/73/01/1422147301.db2.gz QNOWGYBUYQHBEA-UHFFFAOYSA-N 1 1 378.654 3.081 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000152623189 1422172746 /nfs/dbraw/zinc/17/27/46/1422172746.db2.gz TVMLHZCFJMPHJM-GOSISDBHSA-N 1 1 392.459 3.399 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000152784364 1422246868 /nfs/dbraw/zinc/24/68/68/1422246868.db2.gz DOWBUODZJSRZCI-MRXNPFEDSA-N 1 1 395.525 3.260 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000152784469 1422247134 /nfs/dbraw/zinc/24/71/34/1422247134.db2.gz DOWBUODZJSRZCI-INIZCTEOSA-N 1 1 395.525 3.260 20 5 GGBDMO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000153059240 1422343027 /nfs/dbraw/zinc/34/30/27/1422343027.db2.gz LABFAYZXQOJGIU-LJQANCHMSA-N 1 1 391.431 3.491 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153268825 1422430482 /nfs/dbraw/zinc/43/04/82/1422430482.db2.gz RAAMJWDAVIERIQ-CQSZACIVSA-N 1 1 393.509 3.080 20 5 GGBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153379074 1422505838 /nfs/dbraw/zinc/50/58/38/1422505838.db2.gz XOXCTIGTKDSSJA-MRXNPFEDSA-N 1 1 386.452 3.378 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153576982 1422628693 /nfs/dbraw/zinc/62/86/93/1422628693.db2.gz AOTVOPFOMJRFNO-UHFFFAOYSA-N 1 1 385.449 3.386 20 5 GGBDMO Cc1cc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000153612699 1422647568 /nfs/dbraw/zinc/64/75/68/1422647568.db2.gz NBHSWDAMOYUJTH-MRXNPFEDSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1cc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000153612699 1422647579 /nfs/dbraw/zinc/64/75/79/1422647579.db2.gz NBHSWDAMOYUJTH-MRXNPFEDSA-N 1 1 398.463 3.446 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nnc5n4CCC5)C3)co2)cc1 ZINC000153612942 1422649598 /nfs/dbraw/zinc/64/95/98/1422649598.db2.gz QQBJTFRALHDWEC-HNNXBMFYSA-N 1 1 394.435 3.167 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nnc5n4CCC5)C3)co2)cc1 ZINC000153612942 1422649606 /nfs/dbraw/zinc/64/96/06/1422649606.db2.gz QQBJTFRALHDWEC-HNNXBMFYSA-N 1 1 394.435 3.167 20 5 GGBDMO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153620923 1422654120 /nfs/dbraw/zinc/65/41/20/1422654120.db2.gz GCQLMDJNXVGVQB-CQSZACIVSA-N 1 1 385.420 3.481 20 5 GGBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153620923 1422654130 /nfs/dbraw/zinc/65/41/30/1422654130.db2.gz GCQLMDJNXVGVQB-CQSZACIVSA-N 1 1 385.420 3.481 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179805509 1429578535 /nfs/dbraw/zinc/57/85/35/1429578535.db2.gz JRWMQANJCGFIHE-KRWDZBQOSA-N 1 1 387.440 3.479 20 5 GGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H](O)COCc1ccccc1 ZINC000153704190 1422710853 /nfs/dbraw/zinc/71/08/53/1422710853.db2.gz XSTWENLAKURORI-FQEVSTJZSA-N 1 1 397.431 3.259 20 5 GGBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H](O)COCc1ccccc1 ZINC000153704190 1422710871 /nfs/dbraw/zinc/71/08/71/1422710871.db2.gz XSTWENLAKURORI-FQEVSTJZSA-N 1 1 397.431 3.259 20 5 GGBDMO CN(C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000153835757 1422789306 /nfs/dbraw/zinc/78/93/06/1422789306.db2.gz YKVUUBKERXIXKS-YJBOKZPZSA-N 1 1 393.484 3.207 20 5 GGBDMO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[N@H+]1CCc2ccccc2C1 ZINC000153996108 1422822841 /nfs/dbraw/zinc/82/28/41/1422822841.db2.gz NFVACOHMDUJNKQ-SFHVURJKSA-N 1 1 383.448 3.170 20 5 GGBDMO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000154002035 1422823822 /nfs/dbraw/zinc/82/38/22/1422823822.db2.gz NJIYXGCAMRJQSF-HOTGVXAUSA-N 1 1 381.860 3.466 20 5 GGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000154002035 1422823824 /nfs/dbraw/zinc/82/38/24/1422823824.db2.gz NJIYXGCAMRJQSF-HOTGVXAUSA-N 1 1 381.860 3.466 20 5 GGBDMO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000154062477 1422833956 /nfs/dbraw/zinc/83/39/56/1422833956.db2.gz UCOZIJDFHMEOAO-IEBWSBKVSA-N 1 1 398.507 3.284 20 5 GGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000154109592 1422841474 /nfs/dbraw/zinc/84/14/74/1422841474.db2.gz MQMQASGAMWSIKJ-KRWDZBQOSA-N 1 1 382.464 3.279 20 5 GGBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154143373 1422846212 /nfs/dbraw/zinc/84/62/12/1422846212.db2.gz SZRQHUMSMWXZIF-UHFFFAOYSA-N 1 1 385.468 3.199 20 5 GGBDMO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000154184335 1422851926 /nfs/dbraw/zinc/85/19/26/1422851926.db2.gz MMGRIVKHJNSRRH-CQSZACIVSA-N 1 1 387.436 3.461 20 5 GGBDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000154184335 1422851928 /nfs/dbraw/zinc/85/19/28/1422851928.db2.gz MMGRIVKHJNSRRH-CQSZACIVSA-N 1 1 387.436 3.461 20 5 GGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000154260138 1422863633 /nfs/dbraw/zinc/86/36/33/1422863633.db2.gz MXXVTQIZVMYCFW-INIZCTEOSA-N 1 1 388.512 3.435 20 5 GGBDMO CCOc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c([N+](=O)[O-])cc1OC ZINC000154264926 1422863847 /nfs/dbraw/zinc/86/38/47/1422863847.db2.gz UWGJDNHCTZBFQJ-OAHLLOKOSA-N 1 1 393.484 3.242 20 5 GGBDMO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)C1 ZINC000154342093 1422875765 /nfs/dbraw/zinc/87/57/65/1422875765.db2.gz RSJORAKDEFZBCA-RTBURBONSA-N 1 1 375.856 3.410 20 5 GGBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCN(c2ccccn2)CC1 ZINC000154385624 1422881921 /nfs/dbraw/zinc/88/19/21/1422881921.db2.gz KIRZGSZTESJMGE-HXUWFJFHSA-N 1 1 384.480 3.262 20 5 GGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC[C@@H]21 ZINC000154393936 1422883212 /nfs/dbraw/zinc/88/32/12/1422883212.db2.gz DQLZEJJVADMBLX-APWZRJJASA-N 1 1 386.496 3.141 20 5 GGBDMO CC[C@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154550818 1422922566 /nfs/dbraw/zinc/92/25/66/1422922566.db2.gz PVLGKAMCEYDMJC-LIRRHRJNSA-N 1 1 396.447 3.165 20 5 GGBDMO CC[C@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154550818 1422922590 /nfs/dbraw/zinc/92/25/90/1422922590.db2.gz PVLGKAMCEYDMJC-LIRRHRJNSA-N 1 1 396.447 3.165 20 5 GGBDMO O=[N+]([O-])c1cc(CN2CC[NH+](CCO)CC2)ccc1Oc1ccccc1Cl ZINC000154562956 1422931795 /nfs/dbraw/zinc/93/17/95/1422931795.db2.gz KINIMCCPPWYCFM-UHFFFAOYSA-N 1 1 391.855 3.150 20 5 GGBDMO COc1ccc(C[N@H+]2CCC[C@@H](CO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154613535 1422962762 /nfs/dbraw/zinc/96/27/62/1422962762.db2.gz PAFCOMMVVOKQIM-GOSISDBHSA-N 1 1 386.448 3.387 20 5 GGBDMO COc1ccc([C@H]2CC[N@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C2)cc1 ZINC000154728651 1423013504 /nfs/dbraw/zinc/01/35/04/1423013504.db2.gz CVNRALGGSJEHPO-KRWDZBQOSA-N 1 1 396.447 3.292 20 5 GGBDMO COc1ccc([C@H]2CC[N@@H+](CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C2)cc1 ZINC000154728651 1423013515 /nfs/dbraw/zinc/01/35/15/1423013515.db2.gz CVNRALGGSJEHPO-KRWDZBQOSA-N 1 1 396.447 3.292 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000154805233 1423039941 /nfs/dbraw/zinc/03/99/41/1423039941.db2.gz XMGVFOQFMYWRNP-KBXCAEBGSA-N 1 1 380.448 3.232 20 5 GGBDMO COc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)ccc1[N+](=O)[O-] ZINC000154827995 1423047321 /nfs/dbraw/zinc/04/73/21/1423047321.db2.gz IFLXNYMXAXMPEX-UHFFFAOYSA-N 1 1 384.367 3.167 20 5 GGBDMO Cc1ccc(NC(=O)c2ccc(N[C@H](C)[C@H]3C[N@H+](C)CCO3)c([N+](=O)[O-])c2)cc1 ZINC000154844417 1423052507 /nfs/dbraw/zinc/05/25/07/1423052507.db2.gz UKYIJHYMDKYJAJ-FOIQADDNSA-N 1 1 398.463 3.287 20 5 GGBDMO Cc1ccc(NC(=O)c2ccc(N[C@H](C)[C@H]3C[N@@H+](C)CCO3)c([N+](=O)[O-])c2)cc1 ZINC000154844417 1423052518 /nfs/dbraw/zinc/05/25/18/1423052518.db2.gz UKYIJHYMDKYJAJ-FOIQADDNSA-N 1 1 398.463 3.287 20 5 GGBDMO Cc1ccc(NC(=O)c2ccc(N[C@H](C)[C@@H]3C[N@H+](C)CCO3)c([N+](=O)[O-])c2)cc1 ZINC000154844221 1423052838 /nfs/dbraw/zinc/05/28/38/1423052838.db2.gz UKYIJHYMDKYJAJ-QRWLVFNGSA-N 1 1 398.463 3.287 20 5 GGBDMO Cc1ccc(NC(=O)c2ccc(N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)c([N+](=O)[O-])c2)cc1 ZINC000154844221 1423052848 /nfs/dbraw/zinc/05/28/48/1423052848.db2.gz UKYIJHYMDKYJAJ-QRWLVFNGSA-N 1 1 398.463 3.287 20 5 GGBDMO O=C(C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000155008584 1423111625 /nfs/dbraw/zinc/11/16/25/1423111625.db2.gz BNWBMGFQIPOSJC-GOSISDBHSA-N 1 1 380.448 3.060 20 5 GGBDMO O=C(C[N@H+]1CCC[C@@H](Nc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000155008584 1423111632 /nfs/dbraw/zinc/11/16/32/1423111632.db2.gz BNWBMGFQIPOSJC-GOSISDBHSA-N 1 1 380.448 3.060 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155104440 1423164665 /nfs/dbraw/zinc/16/46/65/1423164665.db2.gz HHXQYODLYKTSPA-OLZOCXBDSA-N 1 1 397.273 3.448 20 5 GGBDMO COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000155334194 1423321593 /nfs/dbraw/zinc/32/15/93/1423321593.db2.gz JWZQLXKVOYTKLU-ZBFHGGJFSA-N 1 1 399.447 3.429 20 5 GGBDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000155334194 1423321603 /nfs/dbraw/zinc/32/16/03/1423321603.db2.gz JWZQLXKVOYTKLU-ZBFHGGJFSA-N 1 1 399.447 3.429 20 5 GGBDMO COc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000155339675 1423323342 /nfs/dbraw/zinc/32/33/42/1423323342.db2.gz ACEVOKBZHKGFCL-MRXNPFEDSA-N 1 1 399.447 3.430 20 5 GGBDMO COc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000155339894 1423324273 /nfs/dbraw/zinc/32/42/73/1423324273.db2.gz YUZXTHRKPXSQOG-MRXNPFEDSA-N 1 1 399.447 3.430 20 5 GGBDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000155770089 1423526876 /nfs/dbraw/zinc/52/68/76/1423526876.db2.gz ZFCPUVDKCMRWEV-RISCZKNCSA-N 1 1 376.413 3.276 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179944312 1429655278 /nfs/dbraw/zinc/65/52/78/1429655278.db2.gz NFQZGWZSLNHBHT-GFCCVEGCSA-N 1 1 396.394 3.350 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155922743 1423596178 /nfs/dbraw/zinc/59/61/78/1423596178.db2.gz YPUGLUMDRGFOMW-LJQANCHMSA-N 1 1 383.448 3.115 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155938393 1423602181 /nfs/dbraw/zinc/60/21/81/1423602181.db2.gz DOHDWUAJBWWKBK-FQEVSTJZSA-N 1 1 383.448 3.115 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](Cc3ccccc3)[C@@H](CO)C3CC3)n2)cc1 ZINC000155987645 1423621937 /nfs/dbraw/zinc/62/19/37/1423621937.db2.gz QFFZYJUNEJWYRS-IBGZPJMESA-N 1 1 394.431 3.418 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](Cc3ccccc3)[C@@H](CO)C3CC3)n2)cc1 ZINC000155987645 1423621940 /nfs/dbraw/zinc/62/19/40/1423621940.db2.gz QFFZYJUNEJWYRS-IBGZPJMESA-N 1 1 394.431 3.418 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1Cl ZINC000179959616 1429662687 /nfs/dbraw/zinc/66/26/87/1429662687.db2.gz POIONKLAPBSVII-OAHLLOKOSA-N 1 1 391.811 3.010 20 5 GGBDMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000179959530 1429662898 /nfs/dbraw/zinc/66/28/98/1429662898.db2.gz GKLKCYYYIOFUKQ-LLVKDONJSA-N 1 1 377.372 3.040 20 5 GGBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156468201 1423814039 /nfs/dbraw/zinc/81/40/39/1423814039.db2.gz DRFNEDBVOIIORW-OAHLLOKOSA-N 1 1 398.463 3.146 20 5 GGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156468201 1423814041 /nfs/dbraw/zinc/81/40/41/1423814041.db2.gz DRFNEDBVOIIORW-OAHLLOKOSA-N 1 1 398.463 3.146 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000156530712 1423823872 /nfs/dbraw/zinc/82/38/72/1423823872.db2.gz GPKVFVSBOJQTLE-UHFFFAOYSA-N 1 1 398.463 3.147 20 5 GGBDMO CCOC(=O)c1ccnc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000156844248 1423874136 /nfs/dbraw/zinc/87/41/36/1423874136.db2.gz GJPZTVSUKPQMLV-INIZCTEOSA-N 1 1 398.463 3.267 20 5 GGBDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1O ZINC000156888793 1423880754 /nfs/dbraw/zinc/88/07/54/1423880754.db2.gz WUEOLCKEUODDNB-NSHDSACASA-N 1 1 393.827 3.421 20 5 GGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1O ZINC000156888793 1423880759 /nfs/dbraw/zinc/88/07/59/1423880759.db2.gz WUEOLCKEUODDNB-NSHDSACASA-N 1 1 393.827 3.421 20 5 GGBDMO COc1ccc(NC(=O)C[NH2+]C2(c3ccc(F)cc3F)CCC2)c([N+](=O)[O-])c1 ZINC000179994482 1429680320 /nfs/dbraw/zinc/68/03/20/1429680320.db2.gz XEAFIAHZAXFIPC-UHFFFAOYSA-N 1 1 391.374 3.489 20 5 GGBDMO C[C@@H]1C[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000156998529 1423899656 /nfs/dbraw/zinc/89/96/56/1423899656.db2.gz KIAJXVNOVBVEDK-OXQOHEQNSA-N 1 1 396.491 3.179 20 5 GGBDMO COc1cc(C[NH+]2CCC(n3ccnc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180010186 1429688713 /nfs/dbraw/zinc/68/87/13/1429688713.db2.gz UIKOMQKKRQZJHB-UHFFFAOYSA-N 1 1 396.394 3.281 20 5 GGBDMO CCOCC[N@H+](CC)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000157555408 1424036496 /nfs/dbraw/zinc/03/64/96/1424036496.db2.gz RBQJNHQPJYIBCX-ZDUSSCGKSA-N 1 1 392.481 3.404 20 5 GGBDMO CCOCC[N@@H+](CC)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000157555408 1424036506 /nfs/dbraw/zinc/03/65/06/1424036506.db2.gz RBQJNHQPJYIBCX-ZDUSSCGKSA-N 1 1 392.481 3.404 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000157569305 1424039632 /nfs/dbraw/zinc/03/96/32/1424039632.db2.gz DCMAUSXGAIKESP-KRWDZBQOSA-N 1 1 389.496 3.477 20 5 GGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000157693600 1424066309 /nfs/dbraw/zinc/06/63/09/1424066309.db2.gz SXWBACVEFZEDKI-TZIWHRDSSA-N 1 1 386.448 3.188 20 5 GGBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000157693600 1424066319 /nfs/dbraw/zinc/06/63/19/1424066319.db2.gz SXWBACVEFZEDKI-TZIWHRDSSA-N 1 1 386.448 3.188 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000157762796 1424082425 /nfs/dbraw/zinc/08/24/25/1424082425.db2.gz VHRQEZPMGJFNRY-INIZCTEOSA-N 1 1 391.516 3.030 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(c4cnccn4)CC3)s2)cc1 ZINC000157886367 1424112145 /nfs/dbraw/zinc/11/21/45/1424112145.db2.gz QEPSUVQRALVSJI-UHFFFAOYSA-N 1 1 381.461 3.436 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000157988000 1424135337 /nfs/dbraw/zinc/13/53/37/1424135337.db2.gz USMADBAPMRDVFX-HNNXBMFYSA-N 1 1 399.447 3.430 20 5 GGBDMO CC[NH+]1CCN(c2ccc(C(=O)N(C)c3cccc([N+](=O)[O-])c3)cc2F)CC1 ZINC000158105070 1424168054 /nfs/dbraw/zinc/16/80/54/1424168054.db2.gz YUDLBKFKLBCREE-UHFFFAOYSA-N 1 1 386.427 3.152 20 5 GGBDMO CC[N@@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000158151608 1424180141 /nfs/dbraw/zinc/18/01/41/1424180141.db2.gz BHAMQXUGXVMXOY-LBPRGKRZSA-N 1 1 392.481 3.138 20 5 GGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000158183959 1424188432 /nfs/dbraw/zinc/18/84/32/1424188432.db2.gz CDCBLLQYVTXGJY-QGZVFWFLSA-N 1 1 385.247 3.430 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158551857 1424288125 /nfs/dbraw/zinc/28/81/25/1424288125.db2.gz ALZGOJHKBVSTMV-JOCHJYFZSA-N 1 1 395.459 3.406 20 5 GGBDMO Cc1cc[nH+]c(N2CCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000158748082 1424333584 /nfs/dbraw/zinc/33/35/84/1424333584.db2.gz JYJWEYGIBXMQEJ-HNNXBMFYSA-N 1 1 386.477 3.128 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC000159653215 1424521349 /nfs/dbraw/zinc/52/13/49/1424521349.db2.gz UYMUUPSOYKYZCU-QFIPXVFZSA-N 1 1 395.459 3.406 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000160147649 1424580568 /nfs/dbraw/zinc/58/05/68/1424580568.db2.gz OZBAOZKYQZJODU-UHFFFAOYSA-N 1 1 384.480 3.477 20 5 GGBDMO COc1c(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(C)nn1C ZINC000160188188 1424585039 /nfs/dbraw/zinc/58/50/39/1424585039.db2.gz HNRJLFSVIUXRNS-UHFFFAOYSA-N 1 1 386.408 3.204 20 5 GGBDMO C[N@@H+](Cc1ccccc1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000160574207 1424615162 /nfs/dbraw/zinc/61/51/62/1424615162.db2.gz CVCCPLWUCHEFHE-UHFFFAOYSA-N 1 1 398.463 3.160 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000160874732 1424640606 /nfs/dbraw/zinc/64/06/06/1424640606.db2.gz NINLSZMHWZLGKM-PMACEKPBSA-N 1 1 383.448 3.286 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000160874732 1424640610 /nfs/dbraw/zinc/64/06/10/1424640610.db2.gz NINLSZMHWZLGKM-PMACEKPBSA-N 1 1 383.448 3.286 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000160993376 1424650419 /nfs/dbraw/zinc/65/04/19/1424650419.db2.gz BDXRBEBMNUUQFX-UHFFFAOYSA-N 1 1 399.495 3.365 20 5 GGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000161029453 1424654241 /nfs/dbraw/zinc/65/42/41/1424654241.db2.gz ROUVFAJQNJOCSP-HXUWFJFHSA-N 1 1 396.491 3.001 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161247158 1424669684 /nfs/dbraw/zinc/66/96/84/1424669684.db2.gz NTDZTXBRJWYPJT-MRXNPFEDSA-N 1 1 384.480 3.045 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161247249 1424670074 /nfs/dbraw/zinc/67/00/74/1424670074.db2.gz NTDZTXBRJWYPJT-INIZCTEOSA-N 1 1 384.480 3.045 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000161648624 1424732432 /nfs/dbraw/zinc/73/24/32/1424732432.db2.gz GXUIXOVHATXGRR-HXUWFJFHSA-N 1 1 397.475 3.356 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000161669801 1424736884 /nfs/dbraw/zinc/73/68/84/1424736884.db2.gz YDOWYPIGJLUYJJ-HNNXBMFYSA-N 1 1 389.477 3.489 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000161939702 1424801076 /nfs/dbraw/zinc/80/10/76/1424801076.db2.gz WGKCBWWLMBYVGZ-CYBMUJFWSA-N 1 1 397.859 3.242 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000161939702 1424801077 /nfs/dbraw/zinc/80/10/77/1424801077.db2.gz WGKCBWWLMBYVGZ-CYBMUJFWSA-N 1 1 397.859 3.242 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000161940992 1424801148 /nfs/dbraw/zinc/80/11/48/1424801148.db2.gz GYBZSAGNQVZXSJ-AWEZNQCLSA-N 1 1 388.424 3.200 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000161940992 1424801149 /nfs/dbraw/zinc/80/11/49/1424801149.db2.gz GYBZSAGNQVZXSJ-AWEZNQCLSA-N 1 1 388.424 3.200 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000162004228 1424807813 /nfs/dbraw/zinc/80/78/13/1424807813.db2.gz BSZKZHDTZNPGCN-AWEZNQCLSA-N 1 1 388.424 3.200 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000162004228 1424807814 /nfs/dbraw/zinc/80/78/14/1424807814.db2.gz BSZKZHDTZNPGCN-AWEZNQCLSA-N 1 1 388.424 3.200 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000162109342 1424816831 /nfs/dbraw/zinc/81/68/31/1424816831.db2.gz AHFGFUFDYRLJHE-GOSISDBHSA-N 1 1 399.447 3.022 20 5 GGBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000162109342 1424816832 /nfs/dbraw/zinc/81/68/32/1424816832.db2.gz AHFGFUFDYRLJHE-GOSISDBHSA-N 1 1 399.447 3.022 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000162171892 1424822511 /nfs/dbraw/zinc/82/25/11/1424822511.db2.gz DQTNBWZNEVQMBM-HOTGVXAUSA-N 1 1 391.468 3.286 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000162846488 1424896342 /nfs/dbraw/zinc/89/63/42/1424896342.db2.gz NBAHUBBBBMHJEW-INIZCTEOSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000162846488 1424896344 /nfs/dbraw/zinc/89/63/44/1424896344.db2.gz NBAHUBBBBMHJEW-INIZCTEOSA-N 1 1 398.463 3.446 20 5 GGBDMO CCC[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@H+]1CCOC ZINC000163302791 1424976307 /nfs/dbraw/zinc/97/63/07/1424976307.db2.gz CRCSOLVXFBBLPK-MRXNPFEDSA-N 1 1 378.473 3.176 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000163519318 1425011849 /nfs/dbraw/zinc/01/18/49/1425011849.db2.gz ZJSICTVXCHDEFW-INIZCTEOSA-N 1 1 390.528 3.181 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1SC ZINC000163599808 1425023371 /nfs/dbraw/zinc/02/33/71/1425023371.db2.gz ZUVKGWYDBSRXKI-CQSZACIVSA-N 1 1 395.525 3.423 20 5 GGBDMO Cc1ccc(NCCCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH+]c1 ZINC000163759461 1425041247 /nfs/dbraw/zinc/04/12/47/1425041247.db2.gz ZWTIHCRIVYXCML-UHFFFAOYSA-N 1 1 383.452 3.474 20 5 GGBDMO C[C@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000170791403 1425343627 /nfs/dbraw/zinc/34/36/27/1425343627.db2.gz VRPTZSWXMAHQIC-GFCCVEGCSA-N 1 1 375.375 3.050 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000170791402 1425344128 /nfs/dbraw/zinc/34/41/28/1425344128.db2.gz VRPTZSWXMAHQIC-LBPRGKRZSA-N 1 1 375.375 3.050 20 5 GGBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000170794077 1425344942 /nfs/dbraw/zinc/34/49/42/1425344942.db2.gz XMEGQVLADDCBEF-UHFFFAOYSA-N 1 1 390.390 3.267 20 5 GGBDMO CCC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170904385 1425387363 /nfs/dbraw/zinc/38/73/63/1425387363.db2.gz IMZPYQZTXOUEFU-HNNXBMFYSA-N 1 1 381.477 3.087 20 5 GGBDMO CCC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170904385 1425387370 /nfs/dbraw/zinc/38/73/70/1425387370.db2.gz IMZPYQZTXOUEFU-HNNXBMFYSA-N 1 1 381.477 3.087 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000170912982 1425388349 /nfs/dbraw/zinc/38/83/49/1425388349.db2.gz XXHWIECOZVBMRI-MRXNPFEDSA-N 1 1 375.469 3.120 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000170917688 1425390401 /nfs/dbraw/zinc/39/04/01/1425390401.db2.gz IKYBVUMRMGOUFA-HNNXBMFYSA-N 1 1 379.457 3.162 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000171167803 1425522583 /nfs/dbraw/zinc/52/25/83/1425522583.db2.gz ZDPQABUKBKDFAG-UHFFFAOYSA-N 1 1 397.410 3.270 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171353712 1425635111 /nfs/dbraw/zinc/63/51/11/1425635111.db2.gz OXJIMJLNKAIYMJ-IBGZPJMESA-N 1 1 397.475 3.045 20 5 GGBDMO CN(c1ccccc1)C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000171758728 1425813003 /nfs/dbraw/zinc/81/30/03/1425813003.db2.gz HVSRMCLDSBVDBV-NRFANRHFSA-N 1 1 394.475 3.301 20 5 GGBDMO CC(C)[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)N1CC[NH+](C)CC1 ZINC000171978783 1425866532 /nfs/dbraw/zinc/86/65/32/1425866532.db2.gz WLAQKRNLSSSPJE-QFIPXVFZSA-N 1 1 390.531 3.390 20 5 GGBDMO CCCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(=O)Nc1cc(C)on1 ZINC000171979381 1425866553 /nfs/dbraw/zinc/86/65/53/1425866553.db2.gz YGHRAGSEPLIUOC-OAHLLOKOSA-N 1 1 376.413 3.187 20 5 GGBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171982285 1425867013 /nfs/dbraw/zinc/86/70/13/1425867013.db2.gz ITOXPOCWLDNZGI-GOSISDBHSA-N 1 1 390.531 3.391 20 5 GGBDMO Cc1cc(S(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000172021608 1425876228 /nfs/dbraw/zinc/87/62/28/1425876228.db2.gz NWLHPOPQXVTPSW-IRXDYDNUSA-N 1 1 395.525 3.178 20 5 GGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000172096783 1425895473 /nfs/dbraw/zinc/89/54/73/1425895473.db2.gz UDGLBXFAJBZQMD-CQSZACIVSA-N 1 1 384.354 3.485 20 5 GGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000172096783 1425895475 /nfs/dbraw/zinc/89/54/75/1425895475.db2.gz UDGLBXFAJBZQMD-CQSZACIVSA-N 1 1 384.354 3.485 20 5 GGBDMO Cc1cc(S(=O)(=O)Nc2cccc(OCCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000172192969 1425941193 /nfs/dbraw/zinc/94/11/93/1425941193.db2.gz OQHOUFNAWUCHCQ-UHFFFAOYSA-N 1 1 393.465 3.035 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000172199622 1425943766 /nfs/dbraw/zinc/94/37/66/1425943766.db2.gz FFBFLIJLYIPBHM-IBGZPJMESA-N 1 1 398.463 3.067 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000172698632 1426149529 /nfs/dbraw/zinc/14/95/29/1426149529.db2.gz MAOVCVZJUWGNOS-KRWDZBQOSA-N 1 1 382.464 3.401 20 5 GGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172728795 1426162990 /nfs/dbraw/zinc/16/29/90/1426162990.db2.gz CGVRHCGMQKRDIU-NRFANRHFSA-N 1 1 397.475 3.233 20 5 GGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172728795 1426162995 /nfs/dbraw/zinc/16/29/95/1426162995.db2.gz CGVRHCGMQKRDIU-NRFANRHFSA-N 1 1 397.475 3.233 20 5 GGBDMO CCOC(=O)c1ccnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000172809537 1426199254 /nfs/dbraw/zinc/19/92/54/1426199254.db2.gz AZKYXYWQRHQSBA-QGZVFWFLSA-N 1 1 398.463 3.125 20 5 GGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000172841446 1426215462 /nfs/dbraw/zinc/21/54/62/1426215462.db2.gz FBEAAVBTKOEHNA-SFHVURJKSA-N 1 1 391.515 3.488 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1SC ZINC000172843768 1426215869 /nfs/dbraw/zinc/21/58/69/1426215869.db2.gz VIAILLDZEKYVRX-CYBMUJFWSA-N 1 1 381.498 3.272 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@H](COCc4ccccc4)C3)n2)cc1 ZINC000172971314 1426288656 /nfs/dbraw/zinc/28/86/56/1426288656.db2.gz VECPUFZQSJLSLD-SFHVURJKSA-N 1 1 393.447 3.350 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173450065 1426628187 /nfs/dbraw/zinc/62/81/87/1426628187.db2.gz WGTTXYNIACLEPF-ROUUACIJSA-N 1 1 388.512 3.144 20 5 GGBDMO Cc1ccc2c(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc(=O)oc2c1C ZINC000173462331 1426635938 /nfs/dbraw/zinc/63/59/38/1426635938.db2.gz GJZYLFSEXAPEPK-MRXNPFEDSA-N 1 1 394.431 3.399 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)nc1 ZINC000173462496 1426637103 /nfs/dbraw/zinc/63/71/03/1426637103.db2.gz UTHVKAZTLNENIY-ZDUSSCGKSA-N 1 1 390.827 3.101 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)nc1 ZINC000173462496 1426637109 /nfs/dbraw/zinc/63/71/09/1426637109.db2.gz UTHVKAZTLNENIY-ZDUSSCGKSA-N 1 1 390.827 3.101 20 5 GGBDMO CCCc1n[nH]c(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173507704 1426676754 /nfs/dbraw/zinc/67/67/54/1426676754.db2.gz WNWMUMIBHIGYNQ-HNNXBMFYSA-N 1 1 385.468 3.007 20 5 GGBDMO CCCc1[nH]nc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173507704 1426676755 /nfs/dbraw/zinc/67/67/55/1426676755.db2.gz WNWMUMIBHIGYNQ-HNNXBMFYSA-N 1 1 385.468 3.007 20 5 GGBDMO CCCc1[nH]nc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173507704 1426676757 /nfs/dbraw/zinc/67/67/57/1426676757.db2.gz WNWMUMIBHIGYNQ-HNNXBMFYSA-N 1 1 385.468 3.007 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000173512797 1426683121 /nfs/dbraw/zinc/68/31/21/1426683121.db2.gz HPCQAVAOEHVYMU-MRXNPFEDSA-N 1 1 383.448 3.340 20 5 GGBDMO COc1ccc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000173519459 1426693612 /nfs/dbraw/zinc/69/36/12/1426693612.db2.gz PQWSQMOSFNXAHC-INIZCTEOSA-N 1 1 383.448 3.340 20 5 GGBDMO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000173520692 1426693661 /nfs/dbraw/zinc/69/36/61/1426693661.db2.gz TZFMKNUOAASGHM-OAHLLOKOSA-N 1 1 398.419 3.240 20 5 GGBDMO C[C@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@H+]1Cc1ccccc1 ZINC000173532629 1426706593 /nfs/dbraw/zinc/70/65/93/1426706593.db2.gz GFQKCELLIUILMG-INIZCTEOSA-N 1 1 396.447 3.057 20 5 GGBDMO O=[N+]([O-])c1cnn(CN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000173553597 1426726780 /nfs/dbraw/zinc/72/67/80/1426726780.db2.gz GJOXRADHPOONGM-MRXNPFEDSA-N 1 1 397.401 3.135 20 5 GGBDMO COc1ccc(OCC[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000173565965 1426734976 /nfs/dbraw/zinc/73/49/76/1426734976.db2.gz HKXNIBSPQKCATC-KRWDZBQOSA-N 1 1 376.409 3.256 20 5 GGBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000173584289 1426748561 /nfs/dbraw/zinc/74/85/61/1426748561.db2.gz VIJGAICWTCSZFW-BLLLJJGKSA-N 1 1 386.374 3.254 20 5 GGBDMO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000173594140 1426758189 /nfs/dbraw/zinc/75/81/89/1426758189.db2.gz QERVODRFBVQLRE-AWEZNQCLSA-N 1 1 386.408 3.143 20 5 GGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173649996 1426810178 /nfs/dbraw/zinc/81/01/78/1426810178.db2.gz KQKMUIZLVIKMLZ-AEFFLSMTSA-N 1 1 383.448 3.461 20 5 GGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173649996 1426810180 /nfs/dbraw/zinc/81/01/80/1426810180.db2.gz KQKMUIZLVIKMLZ-AEFFLSMTSA-N 1 1 383.448 3.461 20 5 GGBDMO O=C(C[N@H+]1CC[C@@H](COCc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173652223 1426810772 /nfs/dbraw/zinc/81/07/72/1426810772.db2.gz VAOONWKOZYKBFF-GOSISDBHSA-N 1 1 395.459 3.023 20 5 GGBDMO O=C1[C@H]([N@H+]2CC[C@@H](COCc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000173655103 1426811538 /nfs/dbraw/zinc/81/15/38/1426811538.db2.gz NWKXGVFKDMBYHM-WIYYLYMNSA-N 1 1 395.459 3.239 20 5 GGBDMO O=C(C[N@H+]1CC[C@H](COCc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173657089 1426812214 /nfs/dbraw/zinc/81/22/14/1426812214.db2.gz BRDAHBDBYRRFTL-SFHVURJKSA-N 1 1 395.459 3.023 20 5 GGBDMO O=C(CC[N@H+]1CC[C@H](COCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173657032 1426812317 /nfs/dbraw/zinc/81/23/17/1426812317.db2.gz ZQDOGPOFSVBPDH-SFHVURJKSA-N 1 1 383.448 3.462 20 5 GGBDMO Cc1ccc(CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]2CCCO2)cc1 ZINC000173780592 1426849389 /nfs/dbraw/zinc/84/93/89/1426849389.db2.gz GMMSBUOBVKVYEP-HXUWFJFHSA-N 1 1 397.475 3.226 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000173817328 1426859500 /nfs/dbraw/zinc/85/95/00/1426859500.db2.gz RJMZYDOWZHWBLY-QGZVFWFLSA-N 1 1 388.512 3.002 20 5 GGBDMO CC[C@](C)([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173950427 1426905510 /nfs/dbraw/zinc/90/55/10/1426905510.db2.gz VDDHEGXDNAVEFN-KRWDZBQOSA-N 1 1 378.454 3.222 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173972832 1426917940 /nfs/dbraw/zinc/91/79/40/1426917940.db2.gz JLCNHHORNOCHCP-IBGZPJMESA-N 1 1 396.491 3.296 20 5 GGBDMO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173974970 1426919732 /nfs/dbraw/zinc/91/97/32/1426919732.db2.gz DWZZOYMGOQHKLU-IBGZPJMESA-N 1 1 396.491 3.012 20 5 GGBDMO C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000173994304 1426931842 /nfs/dbraw/zinc/93/18/42/1426931842.db2.gz ITLVULAOCOJFAE-GOSISDBHSA-N 1 1 396.491 3.154 20 5 GGBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174049282 1426970726 /nfs/dbraw/zinc/97/07/26/1426970726.db2.gz FQUKJPMXEOXXFZ-LJQANCHMSA-N 1 1 396.491 3.397 20 5 GGBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000174103348 1427003271 /nfs/dbraw/zinc/00/32/71/1427003271.db2.gz DSJXWGOQSQXJLC-UHFFFAOYSA-N 1 1 376.800 3.001 20 5 GGBDMO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242311 1427065461 /nfs/dbraw/zinc/06/54/61/1427065461.db2.gz LWKVWXVEUKNWGF-HOTGVXAUSA-N 1 1 375.469 3.228 20 5 GGBDMO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245702 1427067826 /nfs/dbraw/zinc/06/78/26/1427067826.db2.gz PWMRWQHSCVBNAQ-MRXNPFEDSA-N 1 1 383.448 3.143 20 5 GGBDMO C[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000174248198 1427068858 /nfs/dbraw/zinc/06/88/58/1427068858.db2.gz XTLIPYUWMWPBKZ-MRXNPFEDSA-N 1 1 383.448 3.315 20 5 GGBDMO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174249389 1427069580 /nfs/dbraw/zinc/06/95/80/1427069580.db2.gz CZWRKPRWIIVOQE-HNAYVOBHSA-N 1 1 375.469 3.133 20 5 GGBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000174362115 1427120013 /nfs/dbraw/zinc/12/00/13/1427120013.db2.gz GHWIAGVJLKDGKQ-INIZCTEOSA-N 1 1 391.471 3.097 20 5 GGBDMO COc1ccc(OCCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174403759 1427142494 /nfs/dbraw/zinc/14/24/94/1427142494.db2.gz FFBJBDYHRPDCCL-LJQANCHMSA-N 1 1 399.491 3.436 20 5 GGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000174484214 1427177208 /nfs/dbraw/zinc/17/72/08/1427177208.db2.gz ZWFODOJVJYCAQN-KRWDZBQOSA-N 1 1 388.512 3.245 20 5 GGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000174599170 1427249940 /nfs/dbraw/zinc/24/99/40/1427249940.db2.gz LFFMTLKZLXCERJ-INIZCTEOSA-N 1 1 384.436 3.028 20 5 GGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000174600715 1427252040 /nfs/dbraw/zinc/25/20/40/1427252040.db2.gz SAWDCDYDSQQOGE-INIZCTEOSA-N 1 1 384.436 3.028 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000174601894 1427252652 /nfs/dbraw/zinc/25/26/52/1427252652.db2.gz LUEVXJWXRPDPKD-OAHLLOKOSA-N 1 1 384.436 3.158 20 5 GGBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174677870 1427304104 /nfs/dbraw/zinc/30/41/04/1427304104.db2.gz MOOZAZRIQVOVGM-HXUWFJFHSA-N 1 1 394.475 3.085 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000174680001 1427306210 /nfs/dbraw/zinc/30/62/10/1427306210.db2.gz XYXBNMHRAMSMIN-IBGZPJMESA-N 1 1 382.464 3.443 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826193 1427389224 /nfs/dbraw/zinc/38/92/24/1427389224.db2.gz SFXHLSUALIOTGX-UHFFFAOYSA-N 1 1 379.457 3.435 20 5 GGBDMO COc1cc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000174934902 1427453807 /nfs/dbraw/zinc/45/38/07/1427453807.db2.gz ZWRJTKIKSCMBKH-QGZVFWFLSA-N 1 1 383.448 3.198 20 5 GGBDMO COc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000174943669 1427458457 /nfs/dbraw/zinc/45/84/57/1427458457.db2.gz CNMKIZLPHDNOJZ-QGZVFWFLSA-N 1 1 383.448 3.198 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000174967156 1427471657 /nfs/dbraw/zinc/47/16/57/1427471657.db2.gz SDKXUEPFOZCAQM-IBGZPJMESA-N 1 1 396.491 3.377 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000175052884 1427521652 /nfs/dbraw/zinc/52/16/52/1427521652.db2.gz JSYPAYCEPPGFKE-UHFFFAOYSA-N 1 1 385.464 3.462 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000175052884 1427521656 /nfs/dbraw/zinc/52/16/56/1427521656.db2.gz JSYPAYCEPPGFKE-UHFFFAOYSA-N 1 1 385.464 3.462 20 5 GGBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000175108496 1427550602 /nfs/dbraw/zinc/55/06/02/1427550602.db2.gz FKXRCLMUYFIDCQ-UHFFFAOYSA-N 1 1 376.800 3.001 20 5 GGBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000175109680 1427551547 /nfs/dbraw/zinc/55/15/47/1427551547.db2.gz TVAANKZHCDXGMD-UHFFFAOYSA-N 1 1 377.485 3.464 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000175166062 1427577563 /nfs/dbraw/zinc/57/75/63/1427577563.db2.gz AGRHIMBJLZHOBL-GOSISDBHSA-N 1 1 383.448 3.388 20 5 GGBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000175166062 1427577565 /nfs/dbraw/zinc/57/75/65/1427577565.db2.gz AGRHIMBJLZHOBL-GOSISDBHSA-N 1 1 383.448 3.388 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000175217323 1427607986 /nfs/dbraw/zinc/60/79/86/1427607986.db2.gz RJYHUDDCGGATCV-QGZVFWFLSA-N 1 1 391.516 3.079 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000175217300 1427608532 /nfs/dbraw/zinc/60/85/32/1427608532.db2.gz RJYHUDDCGGATCV-KRWDZBQOSA-N 1 1 391.516 3.079 20 5 GGBDMO CCCc1n[nH]c(C(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175277832 1427643370 /nfs/dbraw/zinc/64/33/70/1427643370.db2.gz HAACRICRHTUMLV-QGZVFWFLSA-N 1 1 399.495 3.255 20 5 GGBDMO CCCc1[nH]nc(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175277832 1427643377 /nfs/dbraw/zinc/64/33/77/1427643377.db2.gz HAACRICRHTUMLV-QGZVFWFLSA-N 1 1 399.495 3.255 20 5 GGBDMO CCCc1[nH]nc(C(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175277832 1427643387 /nfs/dbraw/zinc/64/33/87/1427643387.db2.gz HAACRICRHTUMLV-QGZVFWFLSA-N 1 1 399.495 3.255 20 5 GGBDMO CCCc1n[nH]c(C(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175277855 1427643494 /nfs/dbraw/zinc/64/34/94/1427643494.db2.gz HAACRICRHTUMLV-KRWDZBQOSA-N 1 1 399.495 3.255 20 5 GGBDMO CCCc1[nH]nc(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175277855 1427643499 /nfs/dbraw/zinc/64/34/99/1427643499.db2.gz HAACRICRHTUMLV-KRWDZBQOSA-N 1 1 399.495 3.255 20 5 GGBDMO CCCc1[nH]nc(C(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175277855 1427643509 /nfs/dbraw/zinc/64/35/09/1427643509.db2.gz HAACRICRHTUMLV-KRWDZBQOSA-N 1 1 399.495 3.255 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000175280729 1427645098 /nfs/dbraw/zinc/64/50/98/1427645098.db2.gz VMQXMHKEBVMXKN-IBGZPJMESA-N 1 1 397.475 3.344 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000175354239 1427701361 /nfs/dbraw/zinc/70/13/61/1427701361.db2.gz KPHFTWGHBLIURW-LPHOPBHVSA-N 1 1 382.464 3.447 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000175416521 1427742601 /nfs/dbraw/zinc/74/26/01/1427742601.db2.gz UDSAKIMECSGAIC-OAHLLOKOSA-N 1 1 389.402 3.467 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000175429312 1427749783 /nfs/dbraw/zinc/74/97/83/1427749783.db2.gz KDNOHQLUXXCWNZ-UHFFFAOYSA-N 1 1 394.435 3.218 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cnn(-c2ccccc2)c1 ZINC000175509374 1427796867 /nfs/dbraw/zinc/79/68/67/1427796867.db2.gz KXFKTGNQERSNIS-UHFFFAOYSA-N 1 1 379.420 3.241 20 5 GGBDMO C[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000175539167 1427808715 /nfs/dbraw/zinc/80/87/15/1427808715.db2.gz BMRKRZDLOOGUBC-JXFKEZNVSA-N 1 1 383.448 3.063 20 5 GGBDMO C[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000175539167 1427808716 /nfs/dbraw/zinc/80/87/16/1427808716.db2.gz BMRKRZDLOOGUBC-JXFKEZNVSA-N 1 1 383.448 3.063 20 5 GGBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175636456 1427840063 /nfs/dbraw/zinc/84/00/63/1427840063.db2.gz ZFHMWEVJNUIELE-UHFFFAOYSA-N 1 1 389.839 3.010 20 5 GGBDMO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000175648570 1427844112 /nfs/dbraw/zinc/84/41/12/1427844112.db2.gz VQHGTFXTKDJSJC-UHFFFAOYSA-N 1 1 395.887 3.261 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000175669365 1427851023 /nfs/dbraw/zinc/85/10/23/1427851023.db2.gz CJYZVFBKDQKGHQ-OAGGEKHMSA-N 1 1 392.500 3.151 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000175695165 1427861273 /nfs/dbraw/zinc/86/12/73/1427861273.db2.gz QBTAOFCCBWSHKW-SJLPKXTDSA-N 1 1 392.500 3.010 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175844035 1427925610 /nfs/dbraw/zinc/92/56/10/1427925610.db2.gz NBNQSXCPISILAS-YOEHRIQHSA-N 1 1 389.477 3.491 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175844035 1427925616 /nfs/dbraw/zinc/92/56/16/1427925616.db2.gz NBNQSXCPISILAS-YOEHRIQHSA-N 1 1 389.477 3.491 20 5 GGBDMO C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000175932735 1427981067 /nfs/dbraw/zinc/98/10/67/1427981067.db2.gz DTXDLWMBBWVWCF-ZDUSSCGKSA-N 1 1 381.860 3.012 20 5 GGBDMO CN(C(=O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000175958579 1427997974 /nfs/dbraw/zinc/99/79/74/1427997974.db2.gz FBGFRRUAXWYHIP-NRFANRHFSA-N 1 1 397.475 3.281 20 5 GGBDMO CN(C(=O)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000175958579 1427997978 /nfs/dbraw/zinc/99/79/78/1427997978.db2.gz FBGFRRUAXWYHIP-NRFANRHFSA-N 1 1 397.475 3.281 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176078735 1428070881 /nfs/dbraw/zinc/07/08/81/1428070881.db2.gz GENQPXHZNYATHK-SFHVURJKSA-N 1 1 387.411 3.023 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176078735 1428070890 /nfs/dbraw/zinc/07/08/90/1428070890.db2.gz GENQPXHZNYATHK-SFHVURJKSA-N 1 1 387.411 3.023 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176136448 1428110132 /nfs/dbraw/zinc/11/01/32/1428110132.db2.gz MFIBIESFJBOQHQ-FUHWJXTLSA-N 1 1 383.448 3.143 20 5 GGBDMO O=[N+]([O-])c1ccn(CCN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000176201989 1428163698 /nfs/dbraw/zinc/16/36/98/1428163698.db2.gz ZKORJBFDADVTPD-UHFFFAOYSA-N 1 1 397.401 3.018 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000176201989 1428163704 /nfs/dbraw/zinc/16/37/04/1428163704.db2.gz ZKORJBFDADVTPD-UHFFFAOYSA-N 1 1 397.401 3.018 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000176201989 1428163712 /nfs/dbraw/zinc/16/37/12/1428163712.db2.gz ZKORJBFDADVTPD-UHFFFAOYSA-N 1 1 397.401 3.018 20 5 GGBDMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176207081 1428167441 /nfs/dbraw/zinc/16/74/41/1428167441.db2.gz RDDKATVYOXMFQK-CQSZACIVSA-N 1 1 398.250 3.201 20 5 GGBDMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176207081 1428167457 /nfs/dbraw/zinc/16/74/57/1428167457.db2.gz RDDKATVYOXMFQK-CQSZACIVSA-N 1 1 398.250 3.201 20 5 GGBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)COc1cccc2ccccc21 ZINC000176226670 1428178573 /nfs/dbraw/zinc/17/85/73/1428178573.db2.gz LQLWZEFDMZKPKM-GOSISDBHSA-N 1 1 398.463 3.095 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180173009 1429779525 /nfs/dbraw/zinc/77/95/25/1429779525.db2.gz WJYXXLFYJXWSSG-DOMZBBRYSA-N 1 1 386.395 3.248 20 5 GGBDMO Cn1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC000180345150 1429841150 /nfs/dbraw/zinc/84/11/50/1429841150.db2.gz FTFSMERCWJVSHV-QGZVFWFLSA-N 1 1 378.436 3.077 20 5 GGBDMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180394312 1429855683 /nfs/dbraw/zinc/85/56/83/1429855683.db2.gz BBESMKLNTVHWDQ-HOTGVXAUSA-N 1 1 398.463 3.006 20 5 GGBDMO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180401750 1429858158 /nfs/dbraw/zinc/85/81/58/1429858158.db2.gz YWTDJYHLXRDSMI-LLVKDONJSA-N 1 1 377.422 3.122 20 5 GGBDMO CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180450466 1429872059 /nfs/dbraw/zinc/87/20/59/1429872059.db2.gz BOTOIQDKYWLXDJ-LBPRGKRZSA-N 1 1 391.449 3.431 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000180502094 1429884001 /nfs/dbraw/zinc/88/40/01/1429884001.db2.gz KOLWZBQAFPYPJF-MRXNPFEDSA-N 1 1 387.440 3.109 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000180529817 1429890980 /nfs/dbraw/zinc/89/09/80/1429890980.db2.gz RQVUACLGEZDQHW-SJLPKXTDSA-N 1 1 391.512 3.387 20 5 GGBDMO COc1cc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000180531320 1429891822 /nfs/dbraw/zinc/89/18/22/1429891822.db2.gz REXRAIRGCUFBEF-RISCZKNCSA-N 1 1 392.374 3.137 20 5 GGBDMO C[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1Br)Cc1ccccc1 ZINC000180544869 1429894630 /nfs/dbraw/zinc/89/46/30/1429894630.db2.gz VWVUUIBPJFVANN-UHFFFAOYSA-N 1 1 392.253 3.219 20 5 GGBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000180602372 1429926802 /nfs/dbraw/zinc/92/68/02/1429926802.db2.gz QNTJMJWBLJHVKN-UHFFFAOYSA-N 1 1 390.443 3.288 20 5 GGBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000180873613 1430080914 /nfs/dbraw/zinc/08/09/14/1430080914.db2.gz URQNODNBRGPQBB-UHFFFAOYSA-N 1 1 389.452 3.052 20 5 GGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)C1 ZINC000180929297 1430120546 /nfs/dbraw/zinc/12/05/46/1430120546.db2.gz AJPJFGWAHMDQGD-HNNXBMFYSA-N 1 1 382.464 3.339 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000180947367 1430129401 /nfs/dbraw/zinc/12/94/01/1430129401.db2.gz KHKCPWSSWPCGJP-KRWDZBQOSA-N 1 1 387.461 3.077 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000180951299 1430131267 /nfs/dbraw/zinc/13/12/67/1430131267.db2.gz UOSQOIFLUMEUEK-QGZVFWFLSA-N 1 1 387.461 3.077 20 5 GGBDMO C[C@@H](CCO)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000180977527 1430148290 /nfs/dbraw/zinc/14/82/90/1430148290.db2.gz LYEOMJFFVCWIKE-HNNXBMFYSA-N 1 1 382.420 3.418 20 5 GGBDMO C[C@@H](CCO)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000180977527 1430148291 /nfs/dbraw/zinc/14/82/91/1430148291.db2.gz LYEOMJFFVCWIKE-HNNXBMFYSA-N 1 1 382.420 3.418 20 5 GGBDMO C[C@@H](CCO)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000180980135 1430149671 /nfs/dbraw/zinc/14/96/71/1430149671.db2.gz UYOYKVUGLRRKQM-AWEZNQCLSA-N 1 1 391.855 3.460 20 5 GGBDMO C[C@@H](CCO)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000180980135 1430149675 /nfs/dbraw/zinc/14/96/75/1430149675.db2.gz UYOYKVUGLRRKQM-AWEZNQCLSA-N 1 1 391.855 3.460 20 5 GGBDMO C[C@H](CCO)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000180984840 1430152500 /nfs/dbraw/zinc/15/25/00/1430152500.db2.gz GMTJTMBRBDJFKJ-OAHLLOKOSA-N 1 1 382.420 3.418 20 5 GGBDMO C[C@H](CCO)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000180984840 1430152503 /nfs/dbraw/zinc/15/25/03/1430152503.db2.gz GMTJTMBRBDJFKJ-OAHLLOKOSA-N 1 1 382.420 3.418 20 5 GGBDMO CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000181039813 1430181680 /nfs/dbraw/zinc/18/16/80/1430181680.db2.gz XTXWLLXIMIBLFD-LBPRGKRZSA-N 1 1 378.454 3.014 20 5 GGBDMO CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000181039813 1430181685 /nfs/dbraw/zinc/18/16/85/1430181685.db2.gz XTXWLLXIMIBLFD-LBPRGKRZSA-N 1 1 378.454 3.014 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000181411794 1430291255 /nfs/dbraw/zinc/29/12/55/1430291255.db2.gz RUDHRPAKWHPCEW-FCEUIQTBSA-N 1 1 387.524 3.273 20 5 GGBDMO COc1ccc(NC(=O)C[NH2+][C@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 ZINC000181625512 1430329957 /nfs/dbraw/zinc/32/99/57/1430329957.db2.gz JKQAQHFZNUSSFK-INIZCTEOSA-N 1 1 376.438 3.048 20 5 GGBDMO C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181637317 1430332651 /nfs/dbraw/zinc/33/26/51/1430332651.db2.gz XFUSCPLMQBOQLV-CVEARBPZSA-N 1 1 375.469 3.133 20 5 GGBDMO C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181647396 1430334597 /nfs/dbraw/zinc/33/45/97/1430334597.db2.gz RVKSAHNHUWFJPH-DOTOQJQBSA-N 1 1 397.479 3.163 20 5 GGBDMO C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181653768 1430335613 /nfs/dbraw/zinc/33/56/13/1430335613.db2.gz WHDMYCGIFAXGNK-GJZGRUSLSA-N 1 1 377.510 3.456 20 5 GGBDMO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2ccccc2o1 ZINC000181770163 1430356140 /nfs/dbraw/zinc/35/61/40/1430356140.db2.gz NSTYJWFVOLDFED-LLVKDONJSA-N 1 1 383.360 3.359 20 5 GGBDMO CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181908378 1430381457 /nfs/dbraw/zinc/38/14/57/1430381457.db2.gz CFZIDWHFRWPEKV-KBPBESRZSA-N 1 1 379.482 3.355 20 5 GGBDMO CC[C@H](Cc1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181913200 1430382382 /nfs/dbraw/zinc/38/23/82/1430382382.db2.gz OGIJAUNGVUGVJO-QGZVFWFLSA-N 1 1 376.478 3.322 20 5 GGBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181913200 1430382386 /nfs/dbraw/zinc/38/23/86/1430382386.db2.gz OGIJAUNGVUGVJO-QGZVFWFLSA-N 1 1 376.478 3.322 20 5 GGBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000181917118 1430382920 /nfs/dbraw/zinc/38/29/20/1430382920.db2.gz WDIJZRQIJZIKPH-RBUKOAKNSA-N 1 1 385.464 3.238 20 5 GGBDMO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000182006501 1430394941 /nfs/dbraw/zinc/39/49/41/1430394941.db2.gz YNILKUQNZGAHHS-AWEZNQCLSA-N 1 1 390.827 3.116 20 5 GGBDMO COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000182006501 1430394944 /nfs/dbraw/zinc/39/49/44/1430394944.db2.gz YNILKUQNZGAHHS-AWEZNQCLSA-N 1 1 390.827 3.116 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000182057997 1430403461 /nfs/dbraw/zinc/40/34/61/1430403461.db2.gz NRDAINNVWJBENU-CVEARBPZSA-N 1 1 397.431 3.355 20 5 GGBDMO Cn1cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182094066 1430410490 /nfs/dbraw/zinc/41/04/90/1430410490.db2.gz QIIVYQGBNKXIRA-MRXNPFEDSA-N 1 1 394.479 3.184 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000182138173 1430418293 /nfs/dbraw/zinc/41/82/93/1430418293.db2.gz ZECXVYPHTWFZIA-SFHVURJKSA-N 1 1 375.856 3.411 20 5 GGBDMO Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000182168571 1430423477 /nfs/dbraw/zinc/42/34/77/1430423477.db2.gz QXQSWMVRUPETKI-XJKSGUPXSA-N 1 1 377.466 3.109 20 5 GGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000182428662 1430466381 /nfs/dbraw/zinc/46/63/81/1430466381.db2.gz BZTVAVZVSYVCSS-GFCCVEGCSA-N 1 1 397.884 3.349 20 5 GGBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000182497964 1430478385 /nfs/dbraw/zinc/47/83/85/1430478385.db2.gz FZRDVLRVVWGPGX-CQSZACIVSA-N 1 1 376.413 3.278 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182548785 1430488758 /nfs/dbraw/zinc/48/87/58/1430488758.db2.gz VPTNIECTCSTTMJ-LSDHHAIUSA-N 1 1 390.484 3.056 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182579316 1430496830 /nfs/dbraw/zinc/49/68/30/1430496830.db2.gz OIGZGTCNIVGZMH-ZDUSSCGKSA-N 1 1 385.411 3.294 20 5 GGBDMO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000182582061 1430497017 /nfs/dbraw/zinc/49/70/17/1430497017.db2.gz ZKQKWCLKWVBTPF-WBMJQRKESA-N 1 1 395.406 3.285 20 5 GGBDMO C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000182619995 1430503689 /nfs/dbraw/zinc/50/36/89/1430503689.db2.gz QIZWOTCXEOOAMI-GJZGRUSLSA-N 1 1 385.439 3.400 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000182623300 1430504592 /nfs/dbraw/zinc/50/45/92/1430504592.db2.gz YNMLSJSOQGGAIY-QGZVFWFLSA-N 1 1 379.464 3.430 20 5 GGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182639920 1430507849 /nfs/dbraw/zinc/50/78/49/1430507849.db2.gz JSILGXBPQCCDTE-UHFFFAOYSA-N 1 1 395.381 3.428 20 5 GGBDMO COc1cc(C[N@@H+](C)C2CCC(CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182649738 1430509870 /nfs/dbraw/zinc/50/98/70/1430509870.db2.gz GPWPYNGYBWDQPF-UHFFFAOYSA-N 1 1 388.411 3.230 20 5 GGBDMO Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000182764176 1430535981 /nfs/dbraw/zinc/53/59/81/1430535981.db2.gz ZQSOFVBMAXMHID-BFYDXBDKSA-N 1 1 376.457 3.009 20 5 GGBDMO CC[NH+](CC)CCCC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000182774352 1430537516 /nfs/dbraw/zinc/53/75/16/1430537516.db2.gz VJVXTSJVIOSLRY-UHFFFAOYSA-N 1 1 376.501 3.028 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000183020186 1430594132 /nfs/dbraw/zinc/59/41/32/1430594132.db2.gz ZOYMDALDKVWQDJ-JKSUJKDBSA-N 1 1 395.525 3.143 20 5 GGBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183033517 1430597650 /nfs/dbraw/zinc/59/76/50/1430597650.db2.gz SPUXYZIGWOFTBO-ZBFHGGJFSA-N 1 1 395.525 3.089 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183511815 1430731716 /nfs/dbraw/zinc/73/17/16/1430731716.db2.gz UHVQTOINOOIASX-INIZCTEOSA-N 1 1 376.438 3.048 20 5 GGBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183551095 1430740530 /nfs/dbraw/zinc/74/05/30/1430740530.db2.gz YUSQDHLTHAPQQE-KRWDZBQOSA-N 1 1 397.479 3.089 20 5 GGBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 ZINC000183552920 1430741097 /nfs/dbraw/zinc/74/10/97/1430741097.db2.gz NGASGHUVFQTNSI-KRWDZBQOSA-N 1 1 390.465 3.438 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1C ZINC000183554801 1430741367 /nfs/dbraw/zinc/74/13/67/1430741367.db2.gz MPXCHCOLIFWIOH-HXUWFJFHSA-N 1 1 385.464 3.075 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccncc1[N+](=O)[O-] ZINC000183591010 1430748984 /nfs/dbraw/zinc/74/89/84/1430748984.db2.gz GQNJTKVFOSXCGN-CYBMUJFWSA-N 1 1 375.454 3.085 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183648555 1430763360 /nfs/dbraw/zinc/76/33/60/1430763360.db2.gz OXINTUZGLUMPBO-OAHLLOKOSA-N 1 1 375.473 3.498 20 5 GGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183836695 1430802943 /nfs/dbraw/zinc/80/29/43/1430802943.db2.gz JULOXSZVZHAWLI-HIFRSBDPSA-N 1 1 388.424 3.181 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183932723 1430814930 /nfs/dbraw/zinc/81/49/30/1430814930.db2.gz VPEBQOUUIPAVRK-GFCCVEGCSA-N 1 1 378.454 3.124 20 5 GGBDMO C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000184037481 1430832400 /nfs/dbraw/zinc/83/24/00/1430832400.db2.gz XQLUJQJNGIZZPB-FTRWYGJKSA-N 1 1 382.464 3.476 20 5 GGBDMO C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000184037464 1430832546 /nfs/dbraw/zinc/83/25/46/1430832546.db2.gz XQLUJQJNGIZZPB-GUXCAODWSA-N 1 1 382.464 3.476 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000184073118 1430837494 /nfs/dbraw/zinc/83/74/94/1430837494.db2.gz RHJIMXSZVDERKV-AEFFLSMTSA-N 1 1 383.448 3.000 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184194322 1430854168 /nfs/dbraw/zinc/85/41/68/1430854168.db2.gz VXVYIPPVWXBMMD-LBPRGKRZSA-N 1 1 383.420 3.089 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184194322 1430854169 /nfs/dbraw/zinc/85/41/69/1430854169.db2.gz VXVYIPPVWXBMMD-LBPRGKRZSA-N 1 1 383.420 3.089 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184214644 1430857283 /nfs/dbraw/zinc/85/72/83/1430857283.db2.gz PLQHZRKHTZAEMF-CYBMUJFWSA-N 1 1 381.448 3.117 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184214644 1430857285 /nfs/dbraw/zinc/85/72/85/1430857285.db2.gz PLQHZRKHTZAEMF-CYBMUJFWSA-N 1 1 381.448 3.117 20 5 GGBDMO COc1cc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c([N+](=O)[O-])cc1F ZINC000184247644 1430861990 /nfs/dbraw/zinc/86/19/90/1430861990.db2.gz ZWCZVZJFCKNXBM-UHFFFAOYSA-N 1 1 393.459 3.213 20 5 GGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184258485 1430863492 /nfs/dbraw/zinc/86/34/92/1430863492.db2.gz UOTUOPPMVMHFNF-KGLIPLIRSA-N 1 1 381.448 3.259 20 5 GGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184258485 1430863494 /nfs/dbraw/zinc/86/34/94/1430863494.db2.gz UOTUOPPMVMHFNF-KGLIPLIRSA-N 1 1 381.448 3.259 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000184350775 1430876511 /nfs/dbraw/zinc/87/65/11/1430876511.db2.gz WCCWTUDVLXQJJG-LPHOPBHVSA-N 1 1 382.464 3.257 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184467377 1430890864 /nfs/dbraw/zinc/89/08/64/1430890864.db2.gz ZYHYDQMTKGZLIR-KRWDZBQOSA-N 1 1 382.464 3.161 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000184480954 1430892704 /nfs/dbraw/zinc/89/27/04/1430892704.db2.gz MGLXIRXVPPIKEO-INIZCTEOSA-N 1 1 391.468 3.286 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184495232 1430894615 /nfs/dbraw/zinc/89/46/15/1430894615.db2.gz ORLNTJRIAVZWBA-MRXNPFEDSA-N 1 1 391.468 3.286 20 5 GGBDMO CCC[N@@H+](CCc1cccs1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000184503693 1430896125 /nfs/dbraw/zinc/89/61/25/1430896125.db2.gz HZTUZAOJODQYDQ-UHFFFAOYSA-N 1 1 391.449 3.278 20 5 GGBDMO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000184520737 1430897785 /nfs/dbraw/zinc/89/77/85/1430897785.db2.gz JNSYFYKGYNGCPV-ZDUSSCGKSA-N 1 1 377.391 3.225 20 5 GGBDMO Cc1ccc(NCCCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[nH+]c1 ZINC000184644382 1430928588 /nfs/dbraw/zinc/92/85/88/1430928588.db2.gz KCZSKQPBHMUKFU-UHFFFAOYSA-N 1 1 377.832 3.253 20 5 GGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000184661395 1430933736 /nfs/dbraw/zinc/93/37/36/1430933736.db2.gz DHQOIPBIOFMVLB-UYAOXDASSA-N 1 1 391.512 3.027 20 5 GGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000184705143 1430947666 /nfs/dbraw/zinc/94/76/66/1430947666.db2.gz FJBSQCVUEMKPRN-INIZCTEOSA-N 1 1 387.505 3.400 20 5 GGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000184705143 1430947668 /nfs/dbraw/zinc/94/76/68/1430947668.db2.gz FJBSQCVUEMKPRN-INIZCTEOSA-N 1 1 387.505 3.400 20 5 GGBDMO CCc1nc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000184748075 1430964607 /nfs/dbraw/zinc/96/46/07/1430964607.db2.gz PAVLSHCPZSLTSY-NSHDSACASA-N 1 1 378.454 3.302 20 5 GGBDMO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000184843758 1431000940 /nfs/dbraw/zinc/00/09/40/1431000940.db2.gz ZDGVYRNXLFVVRH-RHSMWYFYSA-N 1 1 383.404 3.340 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000185048372 1431049038 /nfs/dbraw/zinc/04/90/38/1431049038.db2.gz KXFCAGJGHGKYRB-GFCCVEGCSA-N 1 1 383.383 3.043 20 5 GGBDMO COc1cccc(-c2noc([C@@H](C)[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000185134972 1431069660 /nfs/dbraw/zinc/06/96/60/1431069660.db2.gz QKZFYHPEJOFQKH-SJKOYZFVSA-N 1 1 384.392 3.038 20 5 GGBDMO COc1cccc(-c2noc([C@H](C)[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000185134915 1431069701 /nfs/dbraw/zinc/06/97/01/1431069701.db2.gz QKZFYHPEJOFQKH-SJCJKPOMSA-N 1 1 384.392 3.038 20 5 GGBDMO COc1cc(CNC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000185223730 1431088392 /nfs/dbraw/zinc/08/83/92/1431088392.db2.gz VKSZUYOYSIANNK-IBGZPJMESA-N 1 1 385.464 3.309 20 5 GGBDMO COc1cc(C[NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000185223730 1431088396 /nfs/dbraw/zinc/08/83/96/1431088396.db2.gz VKSZUYOYSIANNK-IBGZPJMESA-N 1 1 385.464 3.309 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185300114 1431104974 /nfs/dbraw/zinc/10/49/74/1431104974.db2.gz HUKDUGWUJRAYCS-KBPBESRZSA-N 1 1 378.375 3.102 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185307245 1431107874 /nfs/dbraw/zinc/10/78/74/1431107874.db2.gz KYAMWPZXGGGEBB-INIZCTEOSA-N 1 1 376.438 3.048 20 5 GGBDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000185442071 1431146463 /nfs/dbraw/zinc/14/64/63/1431146463.db2.gz IPBDBDXZILHOGD-CQSZACIVSA-N 1 1 389.477 3.402 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185483698 1431155051 /nfs/dbraw/zinc/15/50/51/1431155051.db2.gz PIRKDUXMFNXVEH-HNNXBMFYSA-N 1 1 388.493 3.282 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185493737 1431157408 /nfs/dbraw/zinc/15/74/08/1431157408.db2.gz GUOQNFJLBRLLED-HNNXBMFYSA-N 1 1 388.493 3.282 20 5 GGBDMO C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669747 1431201020 /nfs/dbraw/zinc/20/10/20/1431201020.db2.gz VRRKKBPHUYXCGT-ZIAGYGMSSA-N 1 1 394.903 3.429 20 5 GGBDMO C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669726 1431201402 /nfs/dbraw/zinc/20/14/02/1431201402.db2.gz VRRKKBPHUYXCGT-UONOGXRCSA-N 1 1 394.903 3.429 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729156 1431217494 /nfs/dbraw/zinc/21/74/94/1431217494.db2.gz YPINAUVXJACSLP-YESZJQIVSA-N 1 1 388.512 3.473 20 5 GGBDMO C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754299 1431225639 /nfs/dbraw/zinc/22/56/39/1431225639.db2.gz GTKGXOOJSMHCLI-HOCLYGCPSA-N 1 1 385.468 3.387 20 5 GGBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186004413 1431309453 /nfs/dbraw/zinc/30/94/53/1431309453.db2.gz WGBQDYXIMFTICD-HNNXBMFYSA-N 1 1 377.832 3.127 20 5 GGBDMO CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186315312 1431379799 /nfs/dbraw/zinc/37/97/99/1431379799.db2.gz ZJXGNOWNYXRMFG-SFHVURJKSA-N 1 1 383.448 3.340 20 5 GGBDMO CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186315292 1431379871 /nfs/dbraw/zinc/37/98/71/1431379871.db2.gz ZJXGNOWNYXRMFG-GOSISDBHSA-N 1 1 383.448 3.340 20 5 GGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186335945 1431386521 /nfs/dbraw/zinc/38/65/21/1431386521.db2.gz WPTPCJMTEOWBRR-SFHVURJKSA-N 1 1 383.448 3.340 20 5 GGBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1Cc1ccccc1 ZINC000186413037 1431407983 /nfs/dbraw/zinc/40/79/83/1431407983.db2.gz DELFBNDMKZNHIE-SFHVURJKSA-N 1 1 383.448 3.340 20 5 GGBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+]1Cc1ccccc1 ZINC000186413037 1431407985 /nfs/dbraw/zinc/40/79/85/1431407985.db2.gz DELFBNDMKZNHIE-SFHVURJKSA-N 1 1 383.448 3.340 20 5 GGBDMO CC[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000186414557 1431409753 /nfs/dbraw/zinc/40/97/53/1431409753.db2.gz SQVMLTAFGFJJMT-GOSISDBHSA-N 1 1 383.448 3.340 20 5 GGBDMO CC[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000186414557 1431409758 /nfs/dbraw/zinc/40/97/58/1431409758.db2.gz SQVMLTAFGFJJMT-GOSISDBHSA-N 1 1 383.448 3.340 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000186514249 1431443788 /nfs/dbraw/zinc/44/37/88/1431443788.db2.gz UOKAFSITGWHOHA-ZBFHGGJFSA-N 1 1 395.525 3.184 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000186558952 1431453951 /nfs/dbraw/zinc/45/39/51/1431453951.db2.gz CQIYAGZCTZNVBK-UHFFFAOYSA-N 1 1 381.436 3.253 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186599041 1431464644 /nfs/dbraw/zinc/46/46/44/1431464644.db2.gz INGSBSSHTURLLL-NRFANRHFSA-N 1 1 397.431 3.063 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186616767 1431470100 /nfs/dbraw/zinc/47/01/00/1431470100.db2.gz DVSUHWXNVASROH-HXUWFJFHSA-N 1 1 378.388 3.276 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186616767 1431470110 /nfs/dbraw/zinc/47/01/10/1431470110.db2.gz DVSUHWXNVASROH-HXUWFJFHSA-N 1 1 378.388 3.276 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186663129 1431484613 /nfs/dbraw/zinc/48/46/13/1431484613.db2.gz CHQXRTVOZLOICA-OAQYLSRUSA-N 1 1 381.432 3.363 20 5 GGBDMO C[C@@H](Nc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000186709861 1431497571 /nfs/dbraw/zinc/49/75/71/1431497571.db2.gz ZLAINKVMUUYWBL-OAHLLOKOSA-N 1 1 397.479 3.329 20 5 GGBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000186822946 1431528347 /nfs/dbraw/zinc/52/83/47/1431528347.db2.gz AGAGSKVKZJOILJ-CYBMUJFWSA-N 1 1 390.440 3.405 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCSC4(CCOCC4)C3)co2)cc1 ZINC000186834408 1431532286 /nfs/dbraw/zinc/53/22/86/1431532286.db2.gz DURMULKLFFFVQW-UHFFFAOYSA-N 1 1 375.450 3.348 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCSC4(CCOCC4)C3)co2)cc1 ZINC000186834408 1431532289 /nfs/dbraw/zinc/53/22/89/1431532289.db2.gz DURMULKLFFFVQW-UHFFFAOYSA-N 1 1 375.450 3.348 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCSC4(CCOCC4)C3)o2)c1 ZINC000186844157 1431536485 /nfs/dbraw/zinc/53/64/85/1431536485.db2.gz MQCBGCZEFSUMOX-UHFFFAOYSA-N 1 1 389.477 3.390 20 5 GGBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)nc2c1 ZINC000186928500 1431568721 /nfs/dbraw/zinc/56/87/21/1431568721.db2.gz JAGZMOJQUSGSRI-UHFFFAOYSA-N 1 1 385.395 3.445 20 5 GGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1Cc1ccccc1 ZINC000187359575 1431708075 /nfs/dbraw/zinc/70/80/75/1431708075.db2.gz ONGULKCDTUZNHO-RDJZCZTQSA-N 1 1 382.464 3.302 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000187394941 1431718088 /nfs/dbraw/zinc/71/80/88/1431718088.db2.gz PPGQCFANBVLFDL-HXUWFJFHSA-N 1 1 382.464 3.305 20 5 GGBDMO COc1ccc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000187607715 1431778254 /nfs/dbraw/zinc/77/82/54/1431778254.db2.gz XBPIXSUCAVWGBL-IBGZPJMESA-N 1 1 383.448 3.244 20 5 GGBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)Cc1ccsc1 ZINC000187807545 1431814776 /nfs/dbraw/zinc/81/47/76/1431814776.db2.gz GENNVLLEVUABRV-GFCCVEGCSA-N 1 1 391.449 3.277 20 5 GGBDMO Cc1ccc(NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000188303120 1431871147 /nfs/dbraw/zinc/87/11/47/1431871147.db2.gz PSRNBBMUANWQQF-NRFANRHFSA-N 1 1 398.463 3.004 20 5 GGBDMO Cc1ccc(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000188303096 1431871189 /nfs/dbraw/zinc/87/11/89/1431871189.db2.gz PSRNBBMUANWQQF-OAQYLSRUSA-N 1 1 398.463 3.004 20 5 GGBDMO CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000188348414 1431875876 /nfs/dbraw/zinc/87/58/76/1431875876.db2.gz OBNLUKZDKFTHCP-GOSISDBHSA-N 1 1 398.463 3.212 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188838226 1431994090 /nfs/dbraw/zinc/99/40/90/1431994090.db2.gz NENVZSHEUYRTTE-OAQYLSRUSA-N 1 1 398.463 3.004 20 5 GGBDMO Cc1cc(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000189310135 1432083098 /nfs/dbraw/zinc/08/30/98/1432083098.db2.gz FFCIDGUCPLFEBH-OAQYLSRUSA-N 1 1 398.463 3.004 20 5 GGBDMO COC(=O)c1cnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000189357279 1432092799 /nfs/dbraw/zinc/09/27/99/1432092799.db2.gz AFAMVZBNXALKCH-HNNXBMFYSA-N 1 1 390.484 3.257 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189683055 1432202940 /nfs/dbraw/zinc/20/29/40/1432202940.db2.gz AXQMCPGIHWMWAZ-GASCZTMLSA-N 1 1 383.514 3.168 20 5 GGBDMO C[C@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[N@@H+](C)Cc1ccccc1 ZINC000189900630 1432267276 /nfs/dbraw/zinc/26/72/76/1432267276.db2.gz IJYKPAPYZSAIRU-OAHLLOKOSA-N 1 1 391.493 3.321 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(Cn4cncn4)CC3)cs2)c1 ZINC000189977623 1432296591 /nfs/dbraw/zinc/29/65/91/1432296591.db2.gz LAIPCDZFVSEWTH-UHFFFAOYSA-N 1 1 384.465 3.222 20 5 GGBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000190121773 1432323415 /nfs/dbraw/zinc/32/34/15/1432323415.db2.gz BEBBIBLKRXYECG-JKSUJKDBSA-N 1 1 395.525 3.143 20 5 GGBDMO COC(=O)c1cnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000190171797 1432333002 /nfs/dbraw/zinc/33/30/02/1432333002.db2.gz YYMZSYGJDOOOBX-UHFFFAOYSA-N 1 1 398.463 3.125 20 5 GGBDMO Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000190839930 1432503090 /nfs/dbraw/zinc/50/30/90/1432503090.db2.gz IDKKLZGGBDTTFC-IBGZPJMESA-N 1 1 398.463 3.316 20 5 GGBDMO COc1cc(C[N@@H+](C)CC2CC(O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000191168139 1432580704 /nfs/dbraw/zinc/58/07/04/1432580704.db2.gz VWIIWRWARDAIRG-UHFFFAOYSA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000191245527 1432603005 /nfs/dbraw/zinc/60/30/05/1432603005.db2.gz NPXIEPBOQFRTFS-GOSISDBHSA-N 1 1 397.475 3.206 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)nc(C)[nH+]1 ZINC000191359567 1432640983 /nfs/dbraw/zinc/64/09/83/1432640983.db2.gz FYMKMGWMPBPYTA-UHFFFAOYSA-N 1 1 398.467 3.409 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000191373597 1432644501 /nfs/dbraw/zinc/64/45/01/1432644501.db2.gz ZULPJEKSZRGHAI-UHFFFAOYSA-N 1 1 378.473 3.034 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000191388948 1432648565 /nfs/dbraw/zinc/64/85/65/1432648565.db2.gz GWWITBOBQLDIDT-SFHVURJKSA-N 1 1 398.463 3.100 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000191391837 1432649654 /nfs/dbraw/zinc/64/96/54/1432649654.db2.gz LPTCDUUYDYGPPB-MRXNPFEDSA-N 1 1 378.473 3.080 20 5 GGBDMO CCCn1ccnc1CCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191481794 1432669169 /nfs/dbraw/zinc/66/91/69/1432669169.db2.gz WSUSSQDNAIYNNC-UHFFFAOYSA-N 1 1 387.484 3.403 20 5 GGBDMO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191491019 1432671295 /nfs/dbraw/zinc/67/12/95/1432671295.db2.gz ABTYLTTUMGSYDM-GOSISDBHSA-N 1 1 382.420 3.334 20 5 GGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191491019 1432671296 /nfs/dbraw/zinc/67/12/96/1432671296.db2.gz ABTYLTTUMGSYDM-GOSISDBHSA-N 1 1 382.420 3.334 20 5 GGBDMO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000191929482 1432757965 /nfs/dbraw/zinc/75/79/65/1432757965.db2.gz QUMXJFLHDXKQHW-LJQANCHMSA-N 1 1 398.463 3.316 20 5 GGBDMO CCc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192220476 1432818493 /nfs/dbraw/zinc/81/84/93/1432818493.db2.gz JREFYSUCPGTQHV-FQEVSTJZSA-N 1 1 397.475 3.178 20 5 GGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000192501722 1432851922 /nfs/dbraw/zinc/85/19/22/1432851922.db2.gz CCNIGMVIPZXBHZ-GASCZTMLSA-N 1 1 387.484 3.341 20 5 GGBDMO CC[C@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000192897613 1432904360 /nfs/dbraw/zinc/90/43/60/1432904360.db2.gz IHMJXJOBUXDCOD-KRWDZBQOSA-N 1 1 383.448 3.340 20 5 GGBDMO CC[C@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000192897613 1432904363 /nfs/dbraw/zinc/90/43/63/1432904363.db2.gz IHMJXJOBUXDCOD-KRWDZBQOSA-N 1 1 383.448 3.340 20 5 GGBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192925541 1432908635 /nfs/dbraw/zinc/90/86/35/1432908635.db2.gz FVNBTALMTAUAED-IEBWSBKVSA-N 1 1 396.491 3.424 20 5 GGBDMO CCOC(=O)c1ccnc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192959198 1432913454 /nfs/dbraw/zinc/91/34/54/1432913454.db2.gz IMFZZIASKSQIFA-MRXNPFEDSA-N 1 1 384.436 3.101 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCCN(c4ccccc4)CC3)n2)c1 ZINC000193435260 1432998590 /nfs/dbraw/zinc/99/85/90/1432998590.db2.gz WJEWDPQJXXUKPB-UHFFFAOYSA-N 1 1 378.436 3.023 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCCN(c4ccccc4)CC3)n2)c1 ZINC000193435260 1432998592 /nfs/dbraw/zinc/99/85/92/1432998592.db2.gz WJEWDPQJXXUKPB-UHFFFAOYSA-N 1 1 378.436 3.023 20 5 GGBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2N1 ZINC000193536589 1433016143 /nfs/dbraw/zinc/01/61/43/1433016143.db2.gz DUEMAJKKUSBQQJ-QPJJXVBHSA-N 1 1 392.459 3.315 20 5 GGBDMO COC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000193669319 1433037323 /nfs/dbraw/zinc/03/73/23/1433037323.db2.gz FEIXPZZKMUTXMH-QGZVFWFLSA-N 1 1 389.839 3.115 20 5 GGBDMO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@H+]1CCc2ccccc2C1 ZINC000193838408 1433070177 /nfs/dbraw/zinc/07/01/77/1433070177.db2.gz BPYMYUMYXYBOFY-CQSZACIVSA-N 1 1 380.448 3.338 20 5 GGBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000193839301 1433070620 /nfs/dbraw/zinc/07/06/20/1433070620.db2.gz JIANJNNIZDNAHZ-KRWDZBQOSA-N 1 1 390.443 3.395 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193840974 1433070783 /nfs/dbraw/zinc/07/07/83/1433070783.db2.gz YZRRBRPWXJNHPA-INIZCTEOSA-N 1 1 387.867 3.429 20 5 GGBDMO CC(C)CCOC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000194338584 1433163841 /nfs/dbraw/zinc/16/38/41/1433163841.db2.gz KEYNPQZLAQIOGB-UHFFFAOYSA-N 1 1 375.469 3.011 20 5 GGBDMO COc1cccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194528830 1433192948 /nfs/dbraw/zinc/19/29/48/1433192948.db2.gz HSADVOOYRZCETD-QGZVFWFLSA-N 1 1 383.448 3.198 20 5 GGBDMO O=C(NCCc1cccs1)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000194534543 1433193844 /nfs/dbraw/zinc/19/38/44/1433193844.db2.gz FIKNWYQWQKISDP-UHFFFAOYSA-N 1 1 391.468 3.366 20 5 GGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000194588685 1433202212 /nfs/dbraw/zinc/20/22/12/1433202212.db2.gz AAEOTKRDCVHOAY-KRWDZBQOSA-N 1 1 383.448 3.245 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000194653554 1433211605 /nfs/dbraw/zinc/21/16/05/1433211605.db2.gz WBYYZKXZISXRHY-QGZVFWFLSA-N 1 1 383.448 3.132 20 5 GGBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194871154 1433253195 /nfs/dbraw/zinc/25/31/95/1433253195.db2.gz PAQLLUPIVMLWAO-UHFFFAOYSA-N 1 1 383.448 3.340 20 5 GGBDMO COc1cccc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000194883701 1433256592 /nfs/dbraw/zinc/25/65/92/1433256592.db2.gz ONKDJUVXSTYJHW-UHFFFAOYSA-N 1 1 399.447 3.430 20 5 GGBDMO COc1cccc(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000194903522 1433261289 /nfs/dbraw/zinc/26/12/89/1433261289.db2.gz JTOINVIEXTTZHJ-SFHVURJKSA-N 1 1 385.464 3.490 20 5 GGBDMO COc1cccc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000194917158 1433264175 /nfs/dbraw/zinc/26/41/75/1433264175.db2.gz RRFIKSXHYUFBHT-SFHVURJKSA-N 1 1 383.448 3.244 20 5 GGBDMO CN(C)c1noc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000194930831 1433266894 /nfs/dbraw/zinc/26/68/94/1433266894.db2.gz OSXQANURNSTKPS-NSHDSACASA-N 1 1 397.382 3.025 20 5 GGBDMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000194930831 1433266898 /nfs/dbraw/zinc/26/68/98/1433266898.db2.gz OSXQANURNSTKPS-NSHDSACASA-N 1 1 397.382 3.025 20 5 GGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000195526748 1433338604 /nfs/dbraw/zinc/33/86/04/1433338604.db2.gz AHZFAEZROIHOEE-INIZCTEOSA-N 1 1 379.363 3.423 20 5 GGBDMO CC[N@H+](C)CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236871378 1433381463 /nfs/dbraw/zinc/38/14/63/1433381463.db2.gz ZECXERSLRXZSFE-UHFFFAOYSA-N 1 1 379.464 3.489 20 5 GGBDMO CC[N@@H+](C)CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236871378 1433381464 /nfs/dbraw/zinc/38/14/64/1433381464.db2.gz ZECXERSLRXZSFE-UHFFFAOYSA-N 1 1 379.464 3.489 20 5 GGBDMO CN1CCN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000237208191 1433392550 /nfs/dbraw/zinc/39/25/50/1433392550.db2.gz RCKDCLNLQKSSKA-UHFFFAOYSA-N 1 1 392.887 3.235 20 5 GGBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000237288440 1433395977 /nfs/dbraw/zinc/39/59/77/1433395977.db2.gz ODPYIBUKUZDTEW-LBPRGKRZSA-N 1 1 375.425 3.256 20 5 GGBDMO COc1cc(CNC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000237425852 1433402547 /nfs/dbraw/zinc/40/25/47/1433402547.db2.gz PQINSFQHEWSHHF-QGZVFWFLSA-N 1 1 389.452 3.440 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245413039 1433463050 /nfs/dbraw/zinc/46/30/50/1433463050.db2.gz BBSOHGQOJLZVDV-ZIAGYGMSSA-N 1 1 382.892 3.239 20 5 GGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245434041 1433467046 /nfs/dbraw/zinc/46/70/46/1433467046.db2.gz CCYQHYDJSGODRP-PKOBYXMFSA-N 1 1 396.491 3.376 20 5 GGBDMO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245441396 1433468403 /nfs/dbraw/zinc/46/84/03/1433468403.db2.gz HHZARRLZJNXSBM-DZGCQCFKSA-N 1 1 380.408 3.287 20 5 GGBDMO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245441396 1433468405 /nfs/dbraw/zinc/46/84/05/1433468405.db2.gz HHZARRLZJNXSBM-DZGCQCFKSA-N 1 1 380.408 3.287 20 5 GGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245448267 1433469690 /nfs/dbraw/zinc/46/96/90/1433469690.db2.gz MTKGJUNTXUAXAC-SJLPKXTDSA-N 1 1 383.448 3.461 20 5 GGBDMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245454504 1433471134 /nfs/dbraw/zinc/47/11/34/1433471134.db2.gz SBTZKOIOMHXQBN-GOEBONIOSA-N 1 1 383.452 3.066 20 5 GGBDMO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245454504 1433471146 /nfs/dbraw/zinc/47/11/46/1433471146.db2.gz SBTZKOIOMHXQBN-GOEBONIOSA-N 1 1 383.452 3.066 20 5 GGBDMO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000245472144 1433474751 /nfs/dbraw/zinc/47/47/51/1433474751.db2.gz YRMYTFZQYPPPFM-OXJNMPFZSA-N 1 1 396.491 3.143 20 5 GGBDMO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000245472144 1433474752 /nfs/dbraw/zinc/47/47/52/1433474752.db2.gz YRMYTFZQYPPPFM-OXJNMPFZSA-N 1 1 396.491 3.143 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000245535436 1433482270 /nfs/dbraw/zinc/48/22/70/1433482270.db2.gz WQQIBRYLEBPOQU-LSDHHAIUSA-N 1 1 389.452 3.050 20 5 GGBDMO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245720909 1433505735 /nfs/dbraw/zinc/50/57/35/1433505735.db2.gz PRUPNLMUFLJKIT-WOJBJXKFSA-N 1 1 388.512 3.004 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)o2)cc1 ZINC000245854537 1433526722 /nfs/dbraw/zinc/52/67/22/1433526722.db2.gz JTRTYWHADSAYAF-HOTGVXAUSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)o2)cc1 ZINC000245854537 1433526726 /nfs/dbraw/zinc/52/67/26/1433526726.db2.gz JTRTYWHADSAYAF-HOTGVXAUSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](C[C@H]3CCCO3)[C@H]3CCSC3)o2)cc1 ZINC000245854545 1433527173 /nfs/dbraw/zinc/52/71/73/1433527173.db2.gz JTRTYWHADSAYAF-JKSUJKDBSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](C[C@H]3CCCO3)[C@H]3CCSC3)o2)cc1 ZINC000245854545 1433527179 /nfs/dbraw/zinc/52/71/79/1433527179.db2.gz JTRTYWHADSAYAF-JKSUJKDBSA-N 1 1 390.465 3.131 20 5 GGBDMO O=C(C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000245855636 1433527698 /nfs/dbraw/zinc/52/76/98/1433527698.db2.gz JZOIPHXIAWRAKZ-UONOGXRCSA-N 1 1 399.900 3.173 20 5 GGBDMO O=C(C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000245855636 1433527702 /nfs/dbraw/zinc/52/77/02/1433527702.db2.gz JZOIPHXIAWRAKZ-UONOGXRCSA-N 1 1 399.900 3.173 20 5 GGBDMO CN1CCO[C@@H]([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000245862732 1433528886 /nfs/dbraw/zinc/52/88/86/1433528886.db2.gz JARNHHOJPKQMRK-MOPGFXCFSA-N 1 1 375.856 3.410 20 5 GGBDMO CN1CCO[C@H]([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000245862739 1433529100 /nfs/dbraw/zinc/52/91/00/1433529100.db2.gz JARNHHOJPKQMRK-OALUTQOASA-N 1 1 375.856 3.410 20 5 GGBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000245888218 1433534373 /nfs/dbraw/zinc/53/43/73/1433534373.db2.gz BVBLCRWZSWGFKT-SWLSCSKDSA-N 1 1 388.411 3.230 20 5 GGBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000245888214 1433534729 /nfs/dbraw/zinc/53/47/29/1433534729.db2.gz BVBLCRWZSWGFKT-IUODEOHRSA-N 1 1 388.411 3.230 20 5 GGBDMO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245898640 1433537199 /nfs/dbraw/zinc/53/71/99/1433537199.db2.gz DHVRTEAAFKPXOL-UKRRQHHQSA-N 1 1 399.438 3.163 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245913687 1433541277 /nfs/dbraw/zinc/54/12/77/1433541277.db2.gz RPSDIXLSBSFHOD-DLBZAZTESA-N 1 1 393.509 3.218 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000245952402 1433549799 /nfs/dbraw/zinc/54/97/99/1433549799.db2.gz SSQYRQTWPCVWPR-CTNGQTDRSA-N 1 1 383.448 3.430 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000245952402 1433549800 /nfs/dbraw/zinc/54/98/00/1433549800.db2.gz SSQYRQTWPCVWPR-CTNGQTDRSA-N 1 1 383.448 3.430 20 5 GGBDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000246095155 1433567930 /nfs/dbraw/zinc/56/79/30/1433567930.db2.gz ALWXAKOITAQGQN-HZPDHXFCSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000246095155 1433567931 /nfs/dbraw/zinc/56/79/31/1433567931.db2.gz ALWXAKOITAQGQN-HZPDHXFCSA-N 1 1 383.452 3.120 20 5 GGBDMO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246178353 1433578448 /nfs/dbraw/zinc/57/84/48/1433578448.db2.gz QVYHMPKWBWWFPR-XLIONFOSSA-N 1 1 397.479 3.086 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000246270369 1433588219 /nfs/dbraw/zinc/58/82/19/1433588219.db2.gz AVWKEWIMWUMHSG-DLBZAZTESA-N 1 1 388.512 3.387 20 5 GGBDMO Cc1c(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281572 1433589326 /nfs/dbraw/zinc/58/93/26/1433589326.db2.gz AYLSQYCDAFCMCR-OXJNMPFZSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281572 1433589329 /nfs/dbraw/zinc/58/93/29/1433589329.db2.gz AYLSQYCDAFCMCR-OXJNMPFZSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246281572 1433589332 /nfs/dbraw/zinc/58/93/32/1433589332.db2.gz AYLSQYCDAFCMCR-OXJNMPFZSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246285136 1433589644 /nfs/dbraw/zinc/58/96/44/1433589644.db2.gz CQFCUFXIEJZSCM-SJORKVTESA-N 1 1 395.525 3.178 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246295631 1433591171 /nfs/dbraw/zinc/59/11/71/1433591171.db2.gz PFFDHJCEUWIYKZ-HNAYVOBHSA-N 1 1 387.480 3.357 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000246317685 1433594416 /nfs/dbraw/zinc/59/44/16/1433594416.db2.gz GSMDAQJCZLVOCW-DLBZAZTESA-N 1 1 375.469 3.087 20 5 GGBDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246329721 1433595826 /nfs/dbraw/zinc/59/58/26/1433595826.db2.gz SQLOYXYPHSIMSC-IEBWSBKVSA-N 1 1 377.485 3.037 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246332965 1433596296 /nfs/dbraw/zinc/59/62/96/1433596296.db2.gz ICENINURMDFYAZ-SJORKVTESA-N 1 1 395.525 3.178 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000246477627 1433618688 /nfs/dbraw/zinc/61/86/88/1433618688.db2.gz GIMHMSXPVDQQRR-YJBOKZPZSA-N 1 1 383.452 3.094 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246524400 1433625273 /nfs/dbraw/zinc/62/52/73/1433625273.db2.gz CGBMJXHJXHYDOJ-FUHWJXTLSA-N 1 1 395.525 3.011 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000246558914 1433630847 /nfs/dbraw/zinc/63/08/47/1433630847.db2.gz KNUYYPKJIWWJFM-CRAIPNDOSA-N 1 1 387.436 3.413 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246655533 1433645783 /nfs/dbraw/zinc/64/57/83/1433645783.db2.gz AAGHJCXCCSEOGS-GOEBONIOSA-N 1 1 395.525 3.184 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246666083 1433647026 /nfs/dbraw/zinc/64/70/26/1433647026.db2.gz AYEAJAZNCCREHW-YOEHRIQHSA-N 1 1 395.525 3.184 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246716169 1433654515 /nfs/dbraw/zinc/65/45/15/1433654515.db2.gz GAPYSZJXOQJEHY-XJKSGUPXSA-N 1 1 383.876 3.115 20 5 GGBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246736398 1433657748 /nfs/dbraw/zinc/65/77/48/1433657748.db2.gz XSVOSIYKTNAZSD-LPHOPBHVSA-N 1 1 399.495 3.001 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246843813 1433677412 /nfs/dbraw/zinc/67/74/12/1433677412.db2.gz OTWWRNBFUXHJMY-JXFKEZNVSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246843813 1433677413 /nfs/dbraw/zinc/67/74/13/1433677413.db2.gz OTWWRNBFUXHJMY-JXFKEZNVSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246843813 1433677414 /nfs/dbraw/zinc/67/74/14/1433677414.db2.gz OTWWRNBFUXHJMY-JXFKEZNVSA-N 1 1 386.496 3.181 20 5 GGBDMO C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000247200045 1433690449 /nfs/dbraw/zinc/69/04/49/1433690449.db2.gz XBZXIEMAZUEGKN-OXQOHEQNSA-N 1 1 396.491 3.143 20 5 GGBDMO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000247200045 1433690451 /nfs/dbraw/zinc/69/04/51/1433690451.db2.gz XBZXIEMAZUEGKN-OXQOHEQNSA-N 1 1 396.491 3.143 20 5 GGBDMO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000247200045 1433690459 /nfs/dbraw/zinc/69/04/59/1433690459.db2.gz XBZXIEMAZUEGKN-OXQOHEQNSA-N 1 1 396.491 3.143 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000247207664 1433691004 /nfs/dbraw/zinc/69/10/04/1433691004.db2.gz UVQNLDWLKZEJQF-MSOLQXFVSA-N 1 1 398.511 3.397 20 5 GGBDMO Cc1cc(S(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000247231354 1433694168 /nfs/dbraw/zinc/69/41/68/1433694168.db2.gz NWLHPOPQXVTPSW-SJORKVTESA-N 1 1 395.525 3.178 20 5 GGBDMO O=C(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000247291416 1433701029 /nfs/dbraw/zinc/70/10/29/1433701029.db2.gz FBXPRABGBVPGKR-MAUKXSAKSA-N 1 1 387.436 3.495 20 5 GGBDMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000247291416 1433701035 /nfs/dbraw/zinc/70/10/35/1433701035.db2.gz FBXPRABGBVPGKR-MAUKXSAKSA-N 1 1 387.436 3.495 20 5 GGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000247335439 1433709253 /nfs/dbraw/zinc/70/92/53/1433709253.db2.gz VXDBCCHGASECCK-CABCVRRESA-N 1 1 396.451 3.394 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247339284 1433709754 /nfs/dbraw/zinc/70/97/54/1433709754.db2.gz ZCEZBKVZSQJWKM-DOTOQJQBSA-N 1 1 378.473 3.162 20 5 GGBDMO CS(=O)(=O)c1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000247552177 1433736786 /nfs/dbraw/zinc/73/67/86/1433736786.db2.gz WHWCJPIQPBSBOK-SFHVURJKSA-N 1 1 389.477 3.247 20 5 GGBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247580491 1433738740 /nfs/dbraw/zinc/73/87/40/1433738740.db2.gz LHTAKWJLMULYNH-IIZJSDIPSA-N 1 1 386.448 3.185 20 5 GGBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247580491 1433738746 /nfs/dbraw/zinc/73/87/46/1433738746.db2.gz LHTAKWJLMULYNH-IIZJSDIPSA-N 1 1 386.448 3.185 20 5 GGBDMO COc1ccc(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000247646087 1433742319 /nfs/dbraw/zinc/74/23/19/1433742319.db2.gz WCJMRGOTPADNLF-JIPZTSHUSA-N 1 1 397.475 3.490 20 5 GGBDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247709997 1433747418 /nfs/dbraw/zinc/74/74/18/1433747418.db2.gz ZYGOHOBMFVCTKC-SJCJKPOMSA-N 1 1 398.385 3.397 20 5 GGBDMO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000247930290 1433756853 /nfs/dbraw/zinc/75/68/53/1433756853.db2.gz BZHCNLFGVAOBSA-GXTWGEPZSA-N 1 1 385.411 3.121 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000248183725 1433778390 /nfs/dbraw/zinc/77/83/90/1433778390.db2.gz WXZJIBLEDHEAMP-UGSOOPFHSA-N 1 1 386.395 3.332 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000248402578 1433798616 /nfs/dbraw/zinc/79/86/16/1433798616.db2.gz VRPSZVCOFXIJFU-YPGOJHLTSA-N 1 1 396.491 3.280 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248444395 1433803322 /nfs/dbraw/zinc/80/33/22/1433803322.db2.gz FXDJQDPXZWMZOP-NVXWUHKLSA-N 1 1 392.839 3.141 20 5 GGBDMO O=C(C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000248461052 1433804734 /nfs/dbraw/zinc/80/47/34/1433804734.db2.gz OTQDKTGINXAPJT-LSDHHAIUSA-N 1 1 390.461 3.133 20 5 GGBDMO CCOc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248462819 1433804828 /nfs/dbraw/zinc/80/48/28/1433804828.db2.gz YOOBRHIHFAUVMQ-OXQOHEQNSA-N 1 1 399.491 3.411 20 5 GGBDMO CCOc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248462819 1433804830 /nfs/dbraw/zinc/80/48/30/1433804830.db2.gz YOOBRHIHFAUVMQ-OXQOHEQNSA-N 1 1 399.491 3.411 20 5 GGBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000248470725 1433805303 /nfs/dbraw/zinc/80/53/03/1433805303.db2.gz VGMINFQVEUJBMY-CJNGLKHVSA-N 1 1 391.493 3.363 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000248469130 1433805402 /nfs/dbraw/zinc/80/54/02/1433805402.db2.gz UNZSRMYIEGTGEX-HUUCEWRRSA-N 1 1 392.839 3.141 20 5 GGBDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248950562 1433830402 /nfs/dbraw/zinc/83/04/02/1433830402.db2.gz ZUAUONFKPWUGDK-AUSJPIAWSA-N 1 1 385.439 3.474 20 5 GGBDMO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000249706802 1433849387 /nfs/dbraw/zinc/84/93/87/1433849387.db2.gz OUYHWOUWPIEMRD-RISCZKNCSA-N 1 1 384.396 3.277 20 5 GGBDMO Cc1noc([C@H]2CCC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000249706802 1433849388 /nfs/dbraw/zinc/84/93/88/1433849388.db2.gz OUYHWOUWPIEMRD-RISCZKNCSA-N 1 1 384.396 3.277 20 5 GGBDMO CSc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000250198978 1433854944 /nfs/dbraw/zinc/85/49/44/1433854944.db2.gz BCDSYRBZQJLZLT-IIAWOOMASA-N 1 1 393.509 3.031 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000251702580 1433860016 /nfs/dbraw/zinc/86/00/16/1433860016.db2.gz ODVPEFAJMYZOMD-YWZLYKJASA-N 1 1 399.447 3.394 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000251702580 1433860018 /nfs/dbraw/zinc/86/00/18/1433860018.db2.gz ODVPEFAJMYZOMD-YWZLYKJASA-N 1 1 399.447 3.394 20 5 GGBDMO COc1cc(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000252663296 1433864134 /nfs/dbraw/zinc/86/41/34/1433864134.db2.gz SMHAZXHKKFLZGK-JIPZTSHUSA-N 1 1 397.475 3.490 20 5 GGBDMO CN1CCO[C@@H]([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000252736375 1433864791 /nfs/dbraw/zinc/86/47/91/1433864791.db2.gz UPQXSZSXKCOZSH-MOPGFXCFSA-N 1 1 375.856 3.410 20 5 GGBDMO CCOc1ccnc(N2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000255112615 1433876629 /nfs/dbraw/zinc/87/66/29/1433876629.db2.gz BHOHIBHWNCOYNE-YVMONPNESA-N 1 1 383.452 3.009 20 5 GGBDMO Cc1cc(N2CCC[C@@H](OC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000255499304 1433883700 /nfs/dbraw/zinc/88/37/00/1433883700.db2.gz CSGNXWIOWWQDER-IEODJVTJSA-N 1 1 382.420 3.227 20 5 GGBDMO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000255952966 1433892416 /nfs/dbraw/zinc/89/24/16/1433892416.db2.gz GZYWHYOQXDIFHU-RHSMWYFYSA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000255952966 1433892418 /nfs/dbraw/zinc/89/24/18/1433892418.db2.gz GZYWHYOQXDIFHU-RHSMWYFYSA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000255952957 1433892450 /nfs/dbraw/zinc/89/24/50/1433892450.db2.gz CSRSTTLFYPAZDB-PBHICJAKSA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000255952957 1433892451 /nfs/dbraw/zinc/89/24/51/1433892451.db2.gz CSRSTTLFYPAZDB-PBHICJAKSA-N 1 1 385.420 3.084 20 5 GGBDMO COc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000261997934 1433920863 /nfs/dbraw/zinc/92/08/63/1433920863.db2.gz POVBYXDDSNWMFM-INIZCTEOSA-N 1 1 375.812 3.044 20 5 GGBDMO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000263664892 1434017321 /nfs/dbraw/zinc/01/73/21/1434017321.db2.gz FGTXMSKIPPJYQW-UHFFFAOYSA-N 1 1 397.475 3.271 20 5 GGBDMO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000263664892 1434017322 /nfs/dbraw/zinc/01/73/22/1434017322.db2.gz FGTXMSKIPPJYQW-UHFFFAOYSA-N 1 1 397.475 3.271 20 5 GGBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(N2CCOC2=O)cc1 ZINC000263705951 1434023488 /nfs/dbraw/zinc/02/34/88/1434023488.db2.gz SINWIIOBKNCBIS-ZDUSSCGKSA-N 1 1 399.403 3.269 20 5 GGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(N2CCOC2=O)c1 ZINC000263709922 1434023733 /nfs/dbraw/zinc/02/37/33/1434023733.db2.gz UBNCIHYHHABBCX-CYBMUJFWSA-N 1 1 399.403 3.269 20 5 GGBDMO COc1ccc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000264505038 1434121342 /nfs/dbraw/zinc/12/13/42/1434121342.db2.gz YMJSJGCPBXVMQW-AWEZNQCLSA-N 1 1 385.420 3.249 20 5 GGBDMO COc1ccc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000264505040 1434121378 /nfs/dbraw/zinc/12/13/78/1434121378.db2.gz YMJSJGCPBXVMQW-CQSZACIVSA-N 1 1 385.420 3.249 20 5 GGBDMO C[C@H](c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000264509220 1434122230 /nfs/dbraw/zinc/12/22/30/1434122230.db2.gz ZJHHKPWTDVVWLJ-OAHLLOKOSA-N 1 1 385.420 3.006 20 5 GGBDMO Cc1c(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000264606784 1434133891 /nfs/dbraw/zinc/13/38/91/1434133891.db2.gz DLBAOMYTVXXPJL-OFQRWUPVSA-N 1 1 376.457 3.009 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3cccc([N+](=O)[O-])c3C)CC2)oc1C ZINC000264708611 1434146682 /nfs/dbraw/zinc/14/66/82/1434146682.db2.gz FJKGQJNFXQHHLK-UHFFFAOYSA-N 1 1 386.452 3.150 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c4nonc43)CC2)oc1C ZINC000264712686 1434147270 /nfs/dbraw/zinc/14/72/70/1434147270.db2.gz GNDVJODUHQURCS-UHFFFAOYSA-N 1 1 386.412 3.060 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)oc1C ZINC000264762805 1434152794 /nfs/dbraw/zinc/15/27/94/1434152794.db2.gz ZOKGLYSCYODHOA-UHFFFAOYSA-N 1 1 386.452 3.150 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000264778116 1434154314 /nfs/dbraw/zinc/15/43/14/1434154314.db2.gz XSPPMSNQOZHKNE-UHFFFAOYSA-N 1 1 387.440 3.233 20 5 GGBDMO CC(C)(C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000265816965 1434267759 /nfs/dbraw/zinc/26/77/59/1434267759.db2.gz QNHBJYZOVFPJSL-UHFFFAOYSA-N 1 1 397.475 3.021 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266537610 1434347560 /nfs/dbraw/zinc/34/75/60/1434347560.db2.gz JVSWEMPIHZJMED-IBGZPJMESA-N 1 1 396.491 3.301 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000267286294 1434419429 /nfs/dbraw/zinc/41/94/29/1434419429.db2.gz ASLHGIXLLRXKSK-UHFFFAOYSA-N 1 1 397.479 3.064 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298742 1434420583 /nfs/dbraw/zinc/42/05/83/1434420583.db2.gz UCRSLNACCKOYGY-KKSFZXQISA-N 1 1 397.475 3.462 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000267395285 1434428975 /nfs/dbraw/zinc/42/89/75/1434428975.db2.gz IQTQXHFJYUQRBD-SJLPKXTDSA-N 1 1 383.448 3.000 20 5 GGBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1N1CCOCC1 ZINC000267563258 1434446040 /nfs/dbraw/zinc/44/60/40/1434446040.db2.gz HSEGHZWFWQENLW-UHFFFAOYSA-N 1 1 382.420 3.205 20 5 GGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1N1CCOCC1 ZINC000267563258 1434446044 /nfs/dbraw/zinc/44/60/44/1434446044.db2.gz HSEGHZWFWQENLW-UHFFFAOYSA-N 1 1 382.420 3.205 20 5 GGBDMO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000267642103 1434452382 /nfs/dbraw/zinc/45/23/82/1434452382.db2.gz VVLWNIYHFWHKMH-UHFFFAOYSA-N 1 1 390.440 3.473 20 5 GGBDMO CCO[C@H](CC[NH+](C)C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000267857045 1434471182 /nfs/dbraw/zinc/47/11/82/1434471182.db2.gz HLLFOONWYDFXAU-QGZVFWFLSA-N 1 1 378.498 3.165 20 5 GGBDMO CCO[C@@H](CC[NH+](C)C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000267857042 1434471216 /nfs/dbraw/zinc/47/12/16/1434471216.db2.gz HLLFOONWYDFXAU-KRWDZBQOSA-N 1 1 378.498 3.165 20 5 GGBDMO COCCOc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000268861434 1434565671 /nfs/dbraw/zinc/56/56/71/1434565671.db2.gz JQVCJIGEUIWUAV-AWEZNQCLSA-N 1 1 390.436 3.488 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003557 1434580528 /nfs/dbraw/zinc/58/05/28/1434580528.db2.gz VKDYCZLCNTZMQR-SJLPKXTDSA-N 1 1 382.464 3.034 20 5 GGBDMO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269199058 1434606042 /nfs/dbraw/zinc/60/60/42/1434606042.db2.gz QOGVAPFIGNOUPE-UHFFFAOYSA-N 1 1 387.461 3.410 20 5 GGBDMO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000269262949 1434615176 /nfs/dbraw/zinc/61/51/76/1434615176.db2.gz BTQRQXFQEGMFQY-UHFFFAOYSA-N 1 1 398.463 3.331 20 5 GGBDMO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269308170 1434621179 /nfs/dbraw/zinc/62/11/79/1434621179.db2.gz XPOCUURSGPITBQ-QGZVFWFLSA-N 1 1 383.448 3.285 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269308170 1434621186 /nfs/dbraw/zinc/62/11/86/1434621186.db2.gz XPOCUURSGPITBQ-QGZVFWFLSA-N 1 1 383.448 3.285 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000269319521 1434622920 /nfs/dbraw/zinc/62/29/20/1434622920.db2.gz IMQLDEGLZQIKRP-ZDUSSCGKSA-N 1 1 379.848 3.127 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nc2ccccc2o1 ZINC000269324834 1434624544 /nfs/dbraw/zinc/62/45/44/1434624544.db2.gz OHHXTQQXZAEJTK-UHFFFAOYSA-N 1 1 384.392 3.205 20 5 GGBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269461816 1434649497 /nfs/dbraw/zinc/64/94/97/1434649497.db2.gz YEGGXRAOBRRVMK-RHSMWYFYSA-N 1 1 386.452 3.005 20 5 GGBDMO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269505281 1434654510 /nfs/dbraw/zinc/65/45/10/1434654510.db2.gz NUCWPFMPWOSODW-UHFFFAOYSA-N 1 1 393.410 3.178 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)C[C@@H](O)c3ccccc3)cs2)c1 ZINC000269932636 1434687960 /nfs/dbraw/zinc/68/79/60/1434687960.db2.gz NKXOIEWAKMCMGR-VQIMIIECSA-N 1 1 399.472 3.293 20 5 GGBDMO CC(C)[NH+]1CCN(C2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)CC1 ZINC000270427165 1434732194 /nfs/dbraw/zinc/73/21/94/1434732194.db2.gz AOAHIVDHUQGIKG-UHFFFAOYSA-N 1 1 383.496 3.138 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000270796790 1434776033 /nfs/dbraw/zinc/77/60/33/1434776033.db2.gz LFTBKTDRNOMHGH-OAHLLOKOSA-N 1 1 395.525 3.280 20 5 GGBDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271112457 1434802678 /nfs/dbraw/zinc/80/26/78/1434802678.db2.gz ADPNTPWFGRHUME-SFHVURJKSA-N 1 1 392.452 3.089 20 5 GGBDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271777654 1434849909 /nfs/dbraw/zinc/84/99/09/1434849909.db2.gz FIEHUTIGHRJANX-GFCCVEGCSA-N 1 1 397.884 3.349 20 5 GGBDMO C[C@@H](Nc1ccc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000271999907 1434864820 /nfs/dbraw/zinc/86/48/20/1434864820.db2.gz RHNPVOXTESZQLT-OAHLLOKOSA-N 1 1 395.463 3.155 20 5 GGBDMO C[C@H](Nc1ccc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000271999904 1434864880 /nfs/dbraw/zinc/86/48/80/1434864880.db2.gz RHNPVOXTESZQLT-HNNXBMFYSA-N 1 1 395.463 3.155 20 5 GGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272222974 1434879304 /nfs/dbraw/zinc/87/93/04/1434879304.db2.gz AGCWDQKJCXLNMM-OLZOCXBDSA-N 1 1 390.440 3.471 20 5 GGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272222974 1434879306 /nfs/dbraw/zinc/87/93/06/1434879306.db2.gz AGCWDQKJCXLNMM-OLZOCXBDSA-N 1 1 390.440 3.471 20 5 GGBDMO Cn1ccnc1[C@@H]([NH2+]CCCCNc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000272484989 1434899647 /nfs/dbraw/zinc/89/96/47/1434899647.db2.gz CUUXFMWOHZDTQL-IBGZPJMESA-N 1 1 380.452 3.295 20 5 GGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272486547 1434899794 /nfs/dbraw/zinc/89/97/94/1434899794.db2.gz DCHVMAMXIGMKID-QUCCMNQESA-N 1 1 380.448 3.174 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272494708 1434900330 /nfs/dbraw/zinc/90/03/30/1434900330.db2.gz FOKRHMSECGXPNW-PXNSSMCTSA-N 1 1 385.512 3.375 20 5 GGBDMO COc1cccc(O[C@@H](C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272537905 1434905403 /nfs/dbraw/zinc/90/54/03/1434905403.db2.gz OKBZJHKSODAMKZ-MGPUTAFESA-N 1 1 396.447 3.483 20 5 GGBDMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272543608 1434906092 /nfs/dbraw/zinc/90/60/92/1434906092.db2.gz KYTCWGPILIQWKQ-UHFFFAOYSA-N 1 1 384.436 3.074 20 5 GGBDMO CN(c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)C1CC[NH+](C)CC1 ZINC000272548089 1434906747 /nfs/dbraw/zinc/90/67/47/1434906747.db2.gz KHPKHTYFJQGBRO-UHFFFAOYSA-N 1 1 384.436 3.083 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000272585856 1434910925 /nfs/dbraw/zinc/91/09/25/1434910925.db2.gz ZCRRKQJXCYZQJR-QUCCMNQESA-N 1 1 384.411 3.054 20 5 GGBDMO C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272752972 1434928175 /nfs/dbraw/zinc/92/81/75/1434928175.db2.gz OKUDXRLTWISFEO-UONOGXRCSA-N 1 1 381.423 3.456 20 5 GGBDMO C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272752971 1434928214 /nfs/dbraw/zinc/92/82/14/1434928214.db2.gz OKUDXRLTWISFEO-KGLIPLIRSA-N 1 1 381.423 3.456 20 5 GGBDMO COc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272782516 1434930690 /nfs/dbraw/zinc/93/06/90/1434930690.db2.gz FDIFTNLISTVHLO-UONOGXRCSA-N 1 1 376.457 3.378 20 5 GGBDMO COc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272782522 1434930765 /nfs/dbraw/zinc/93/07/65/1434930765.db2.gz FDIFTNLISTVHLO-ZIAGYGMSSA-N 1 1 376.457 3.378 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000273077699 1434958065 /nfs/dbraw/zinc/95/80/65/1434958065.db2.gz XAUMTNQGMMRDGA-UHFFFAOYSA-N 1 1 376.438 3.079 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000273077699 1434958067 /nfs/dbraw/zinc/95/80/67/1434958067.db2.gz XAUMTNQGMMRDGA-UHFFFAOYSA-N 1 1 376.438 3.079 20 5 GGBDMO COc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)ccc1[N+](=O)[O-] ZINC000273077713 1434958266 /nfs/dbraw/zinc/95/82/66/1434958266.db2.gz XBKXHYKNIVFBTA-UHFFFAOYSA-N 1 1 376.438 3.079 20 5 GGBDMO COc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)ccc1[N+](=O)[O-] ZINC000273077713 1434958267 /nfs/dbraw/zinc/95/82/67/1434958267.db2.gz XBKXHYKNIVFBTA-UHFFFAOYSA-N 1 1 376.438 3.079 20 5 GGBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccncc21 ZINC000273269834 1434976942 /nfs/dbraw/zinc/97/69/42/1434976942.db2.gz WUXITHXWEZGOST-QGZVFWFLSA-N 1 1 378.432 3.322 20 5 GGBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccncc21 ZINC000273269830 1434976956 /nfs/dbraw/zinc/97/69/56/1434976956.db2.gz WUXITHXWEZGOST-KRWDZBQOSA-N 1 1 378.432 3.322 20 5 GGBDMO Cc1cc(-c2noc([C@@H](C)[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000273273724 1434977286 /nfs/dbraw/zinc/97/72/86/1434977286.db2.gz FDVXPJVOZYVCBG-PXAZEXFGSA-N 1 1 386.383 3.477 20 5 GGBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000273371330 1434984041 /nfs/dbraw/zinc/98/40/41/1434984041.db2.gz GUYLYRXFMYCKIZ-OKILXGFUSA-N 1 1 394.447 3.087 20 5 GGBDMO CC(C)C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000273576659 1434997785 /nfs/dbraw/zinc/99/77/85/1434997785.db2.gz OWSKCZFXQLDIPF-SFHVURJKSA-N 1 1 377.466 3.141 20 5 GGBDMO Cc1c(-c2nc(-c3ccc(N4CCC[N@H+](C)CC4)nc3)no2)cccc1[N+](=O)[O-] ZINC000273751783 1435010886 /nfs/dbraw/zinc/01/08/86/1435010886.db2.gz COCYIZLXTALFIK-UHFFFAOYSA-N 1 1 394.435 3.157 20 5 GGBDMO O=[N+]([O-])c1ccc(Cc2noc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)nc1 ZINC000274104543 1435044253 /nfs/dbraw/zinc/04/42/53/1435044253.db2.gz YVKQZSCJTQOOIB-INIZCTEOSA-N 1 1 379.420 3.343 20 5 GGBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000274424468 1435070167 /nfs/dbraw/zinc/07/01/67/1435070167.db2.gz DXDGSEWMFFAIJO-KRWDZBQOSA-N 1 1 377.488 3.144 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000275000708 1435108773 /nfs/dbraw/zinc/10/87/73/1435108773.db2.gz PRDAEWQDYYCPDO-UHFFFAOYSA-N 1 1 385.468 3.301 20 5 GGBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000275189004 1435121540 /nfs/dbraw/zinc/12/15/40/1435121540.db2.gz AIKYZRQKVCULIP-PZJWPPBQSA-N 1 1 380.448 3.305 20 5 GGBDMO C[C@H]1C[NH+](CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H](C)O1 ZINC000275603833 1435152004 /nfs/dbraw/zinc/15/20/04/1435152004.db2.gz JKFRMPYJQITDAU-HOTGVXAUSA-N 1 1 393.487 3.323 20 5 GGBDMO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000275780397 1435168386 /nfs/dbraw/zinc/16/83/86/1435168386.db2.gz NCEOBAOFIGPRKG-UHFFFAOYSA-N 1 1 391.471 3.030 20 5 GGBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000276326830 1435204902 /nfs/dbraw/zinc/20/49/02/1435204902.db2.gz QQOJLIYNQCKZPW-ZIAGYGMSSA-N 1 1 381.498 3.063 20 5 GGBDMO CCOc1cc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276870494 1435238843 /nfs/dbraw/zinc/23/88/43/1435238843.db2.gz HNJKGISNYASNJB-GOSISDBHSA-N 1 1 383.448 3.447 20 5 GGBDMO CCOc1cc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276870499 1435238892 /nfs/dbraw/zinc/23/88/92/1435238892.db2.gz HNJKGISNYASNJB-SFHVURJKSA-N 1 1 383.448 3.447 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277417759 1435303339 /nfs/dbraw/zinc/30/33/39/1435303339.db2.gz CQKXUFVQDJZEMC-MRXNPFEDSA-N 1 1 393.509 3.080 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000277559987 1435312981 /nfs/dbraw/zinc/31/29/81/1435312981.db2.gz JWCJPLAONBIVKM-MJGOQNOKSA-N 1 1 381.432 3.360 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)o2)c1 ZINC000277624816 1435317278 /nfs/dbraw/zinc/31/72/78/1435317278.db2.gz ASCRXTCETRCOAP-DYVFJYSZSA-N 1 1 399.369 3.428 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1SC ZINC000277977353 1435347410 /nfs/dbraw/zinc/34/74/10/1435347410.db2.gz QLLGMTPNPGGSAP-CYBMUJFWSA-N 1 1 379.482 3.072 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278091118 1435358248 /nfs/dbraw/zinc/35/82/48/1435358248.db2.gz NHVBLVHPFQQKJI-UHFFFAOYSA-N 1 1 387.461 3.460 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000278189692 1435367876 /nfs/dbraw/zinc/36/78/76/1435367876.db2.gz HUSYLEPPJOPTGY-IUODEOHRSA-N 1 1 394.428 3.238 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000278189692 1435367878 /nfs/dbraw/zinc/36/78/78/1435367878.db2.gz HUSYLEPPJOPTGY-IUODEOHRSA-N 1 1 394.428 3.238 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000278212271 1435369865 /nfs/dbraw/zinc/36/98/65/1435369865.db2.gz DIHPWTFNUOXDQQ-UHFFFAOYSA-N 1 1 394.431 3.392 20 5 GGBDMO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278223428 1435371190 /nfs/dbraw/zinc/37/11/90/1435371190.db2.gz LTUIADQDTULHFW-UHFFFAOYSA-N 1 1 394.428 3.240 20 5 GGBDMO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000278374305 1435385003 /nfs/dbraw/zinc/38/50/03/1435385003.db2.gz AFZQJGNQOXASAT-ZJUUUORDSA-N 1 1 391.371 3.161 20 5 GGBDMO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000278374301 1435385021 /nfs/dbraw/zinc/38/50/21/1435385021.db2.gz AFZQJGNQOXASAT-VHSXEESVSA-N 1 1 391.371 3.161 20 5 GGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278433961 1435390544 /nfs/dbraw/zinc/39/05/44/1435390544.db2.gz KKLGXZNJOAIRIJ-LLVKDONJSA-N 1 1 399.373 3.254 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000278600244 1435403906 /nfs/dbraw/zinc/40/39/06/1435403906.db2.gz ZLWZZSAYYUINKB-UHFFFAOYSA-N 1 1 382.420 3.231 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000278667833 1435412259 /nfs/dbraw/zinc/41/22/59/1435412259.db2.gz OLIHMWLPDAYPCD-UHFFFAOYSA-N 1 1 384.436 3.094 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278758792 1435420947 /nfs/dbraw/zinc/42/09/47/1435420947.db2.gz SWXRKCJWPGAQRO-UHFFFAOYSA-N 1 1 399.373 3.398 20 5 GGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278802547 1435424983 /nfs/dbraw/zinc/42/49/83/1435424983.db2.gz GAVHQYYUJFULLE-OAHLLOKOSA-N 1 1 397.479 3.334 20 5 GGBDMO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000278856954 1435432020 /nfs/dbraw/zinc/43/20/20/1435432020.db2.gz GCSFIZBDSHAPQP-GXSJLCMTSA-N 1 1 391.371 3.161 20 5 GGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278897661 1435437079 /nfs/dbraw/zinc/43/70/79/1435437079.db2.gz OWQHOCGTEGBCSA-HNNXBMFYSA-N 1 1 397.479 3.334 20 5 GGBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000279121677 1435462348 /nfs/dbraw/zinc/46/23/48/1435462348.db2.gz ANRLHGQQEUGSGC-UHFFFAOYSA-N 1 1 378.448 3.044 20 5 GGBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000279291818 1435482501 /nfs/dbraw/zinc/48/25/01/1435482501.db2.gz YHHDFDFTZHTPTB-GFCCVEGCSA-N 1 1 392.456 3.020 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000279430658 1435498389 /nfs/dbraw/zinc/49/83/89/1435498389.db2.gz XSBCQQFTYDQALB-UHFFFAOYSA-N 1 1 399.447 3.121 20 5 GGBDMO O=[N+]([O-])c1ccc(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)c([N+](=O)[O-])c1 ZINC000279441904 1435500024 /nfs/dbraw/zinc/50/00/24/1435500024.db2.gz PJKQFDRUDPFEQF-UHFFFAOYSA-N 1 1 385.424 3.415 20 5 GGBDMO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1Cc1ccccc1 ZINC000279531139 1435510316 /nfs/dbraw/zinc/51/03/16/1435510316.db2.gz VYNBHOIAFXHXKX-AWEZNQCLSA-N 1 1 386.427 3.053 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000279578835 1435515300 /nfs/dbraw/zinc/51/53/00/1435515300.db2.gz BGOVXJXMFDWLPS-MRXNPFEDSA-N 1 1 392.374 3.281 20 5 GGBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl ZINC000279922219 1435563475 /nfs/dbraw/zinc/56/34/75/1435563475.db2.gz GPJHJLRNCUHBKQ-UHFFFAOYSA-N 1 1 391.811 3.333 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000280001829 1435575194 /nfs/dbraw/zinc/57/51/94/1435575194.db2.gz LDZINNBLWCMLOP-UHFFFAOYSA-N 1 1 390.465 3.469 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000280001829 1435575198 /nfs/dbraw/zinc/57/51/98/1435575198.db2.gz LDZINNBLWCMLOP-UHFFFAOYSA-N 1 1 390.465 3.469 20 5 GGBDMO Cc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H](C)S(C)(=O)=O)cc1 ZINC000280943252 1435745385 /nfs/dbraw/zinc/74/53/85/1435745385.db2.gz WHULVCJJBZUMDC-KXBFYZLASA-N 1 1 376.478 3.476 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](OCc4ccncc4)C3)co2)cc1 ZINC000280985987 1435751904 /nfs/dbraw/zinc/75/19/04/1435751904.db2.gz LLMLEOAWNSWGMA-LJQANCHMSA-N 1 1 380.404 3.436 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](OCc4ccncc4)C3)co2)cc1 ZINC000280985987 1435751905 /nfs/dbraw/zinc/75/19/05/1435751905.db2.gz LLMLEOAWNSWGMA-LJQANCHMSA-N 1 1 380.404 3.436 20 5 GGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281024796 1435758410 /nfs/dbraw/zinc/75/84/10/1435758410.db2.gz OPZGWHSQHNKVKC-RDTXWAMCSA-N 1 1 395.419 3.392 20 5 GGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281024796 1435758419 /nfs/dbraw/zinc/75/84/19/1435758419.db2.gz OPZGWHSQHNKVKC-RDTXWAMCSA-N 1 1 395.419 3.392 20 5 GGBDMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282383956 1435845226 /nfs/dbraw/zinc/84/52/26/1435845226.db2.gz GEYKLOPTXXLCRD-AWEZNQCLSA-N 1 1 387.436 3.114 20 5 GGBDMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282383956 1435845228 /nfs/dbraw/zinc/84/52/28/1435845228.db2.gz GEYKLOPTXXLCRD-AWEZNQCLSA-N 1 1 387.436 3.114 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000282632072 1435854363 /nfs/dbraw/zinc/85/43/63/1435854363.db2.gz KALMRDYGBJTRAP-CYBMUJFWSA-N 1 1 389.477 3.232 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000282632072 1435854364 /nfs/dbraw/zinc/85/43/64/1435854364.db2.gz KALMRDYGBJTRAP-CYBMUJFWSA-N 1 1 389.477 3.232 20 5 GGBDMO O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283095344 1435874309 /nfs/dbraw/zinc/87/43/09/1435874309.db2.gz LMOHLMOXTWMTLP-UHFFFAOYSA-N 1 1 391.468 3.366 20 5 GGBDMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283227288 1435880159 /nfs/dbraw/zinc/88/01/59/1435880159.db2.gz TYELEEPCVORBSQ-UHFFFAOYSA-N 1 1 389.402 3.401 20 5 GGBDMO COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1OC ZINC000283875234 1435941867 /nfs/dbraw/zinc/94/18/67/1435941867.db2.gz ALDCRSDWKMPYJM-NSHDSACASA-N 1 1 391.380 3.380 20 5 GGBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000284117134 1435993211 /nfs/dbraw/zinc/99/32/11/1435993211.db2.gz UAUYQDUACNSOAO-HZSPNIEDSA-N 1 1 396.875 3.354 20 5 GGBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000284117134 1435993218 /nfs/dbraw/zinc/99/32/18/1435993218.db2.gz UAUYQDUACNSOAO-HZSPNIEDSA-N 1 1 396.875 3.354 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(F)c1 ZINC001164695259 719890819 /nfs/dbraw/zinc/89/08/19/719890819.db2.gz KDRANTXBXRDDQJ-UHFFFAOYSA-N 1 1 392.456 3.062 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(F)c1 ZINC001164695259 719890820 /nfs/dbraw/zinc/89/08/20/719890820.db2.gz KDRANTXBXRDDQJ-UHFFFAOYSA-N 1 1 392.456 3.062 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])C2 ZINC001164809197 720098339 /nfs/dbraw/zinc/09/83/39/720098339.db2.gz IYBMYJQJFIXSRK-BEFAXECRSA-N 1 1 394.903 3.136 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001164812512 720106242 /nfs/dbraw/zinc/10/62/42/720106242.db2.gz OYDIIUBWNXPGFX-VGSWGCGISA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001164815846 720142132 /nfs/dbraw/zinc/14/21/32/720142132.db2.gz WKRXWTOFAQXKEB-GCJKJVERSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001164814161 720199007 /nfs/dbraw/zinc/19/90/07/720199007.db2.gz TYIATTGCPQCMGO-AVRDEDQJSA-N 1 1 396.491 3.328 20 5 GGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc21 ZINC001164727767 720375421 /nfs/dbraw/zinc/37/54/21/720375421.db2.gz RJHLVMZPYVMZOB-QZTJIDSGSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)ccc21 ZINC001164729760 720377088 /nfs/dbraw/zinc/37/70/88/720377088.db2.gz WBTDAWBZKYCELH-WOJBJXKFSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164725698 720424277 /nfs/dbraw/zinc/42/42/77/720424277.db2.gz AQHYXTOWNKXUAS-WOJBJXKFSA-N 1 1 375.432 3.391 20 5 GGBDMO CC(C)Oc1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164729393 720453979 /nfs/dbraw/zinc/45/39/79/720453979.db2.gz HIVLYFZJJWIOTK-SJORKVTESA-N 1 1 383.452 3.025 20 5 GGBDMO CC(C)Oc1nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164729391 720454808 /nfs/dbraw/zinc/45/48/08/720454808.db2.gz HIVLYFZJJWIOTK-IRXDYDNUSA-N 1 1 383.452 3.025 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164840531 720659651 /nfs/dbraw/zinc/65/96/51/720659651.db2.gz NFDHSBJIWLXLHU-LJQANCHMSA-N 1 1 382.464 3.250 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164837578 720672831 /nfs/dbraw/zinc/67/28/31/720672831.db2.gz DBZJVRPVEYUCCP-SFHVURJKSA-N 1 1 382.464 3.250 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)ncc1[N+](=O)[O-])[C@@H]2C ZINC001164861667 720936343 /nfs/dbraw/zinc/93/63/43/720936343.db2.gz TXIJPZKKFSZWHP-GFCCVEGCSA-N 1 1 378.864 3.261 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)ncc1[N+](=O)[O-])[C@H]2C ZINC001164861676 720937193 /nfs/dbraw/zinc/93/71/93/720937193.db2.gz TXIJPZKKFSZWHP-LBPRGKRZSA-N 1 1 378.864 3.261 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164899059 721510982 /nfs/dbraw/zinc/51/09/82/721510982.db2.gz JUHSVVUHHLJTLO-HOCLYGCPSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896282 721511749 /nfs/dbraw/zinc/51/17/49/721511749.db2.gz AMYLWLMBOISGNN-GOEBONIOSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899710 721511989 /nfs/dbraw/zinc/51/19/89/721511989.db2.gz LUYFGZIRWJPHCR-HIFRSBDPSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899709 721512002 /nfs/dbraw/zinc/51/20/02/721512002.db2.gz LUYFGZIRWJPHCR-DZGCQCFKSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899713 721512336 /nfs/dbraw/zinc/51/23/36/721512336.db2.gz LUYFGZIRWJPHCR-ZFWWWQNUSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905238 721527154 /nfs/dbraw/zinc/52/71/54/721527154.db2.gz HDNTUIXHYNHLTC-HOCLYGCPSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908331 721584579 /nfs/dbraw/zinc/58/45/79/721584579.db2.gz YKCXZEPDNJRZGF-GOSISDBHSA-N 1 1 389.406 3.123 20 5 GGBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001164907784 721750819 /nfs/dbraw/zinc/75/08/19/721750819.db2.gz ANIGTGRFDXWFQW-UHFFFAOYSA-N 1 1 397.410 3.312 20 5 GGBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001164907784 721750823 /nfs/dbraw/zinc/75/08/23/721750823.db2.gz ANIGTGRFDXWFQW-UHFFFAOYSA-N 1 1 397.410 3.312 20 5 GGBDMO COc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165026311 721805127 /nfs/dbraw/zinc/80/51/27/721805127.db2.gz QORJOLYBMHSSCZ-RYQLBKOJSA-N 1 1 397.479 3.130 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164923637 721868152 /nfs/dbraw/zinc/86/81/52/721868152.db2.gz JICDLFHWJFXZID-IRXDYDNUSA-N 1 1 389.887 3.011 20 5 GGBDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164923637 721868154 /nfs/dbraw/zinc/86/81/54/721868154.db2.gz JICDLFHWJFXZID-IRXDYDNUSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164934133 721880608 /nfs/dbraw/zinc/88/06/08/721880608.db2.gz PPNLWMPPFUBIGC-IRXDYDNUSA-N 1 1 389.887 3.011 20 5 GGBDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164934133 721880610 /nfs/dbraw/zinc/88/06/10/721880610.db2.gz PPNLWMPPFUBIGC-IRXDYDNUSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164929545 721888767 /nfs/dbraw/zinc/88/87/67/721888767.db2.gz BQMQHYSOYKTWGO-CVEARBPZSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164929545 721888768 /nfs/dbraw/zinc/88/87/68/721888768.db2.gz BQMQHYSOYKTWGO-CVEARBPZSA-N 1 1 389.887 3.011 20 5 GGBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165037469 721907402 /nfs/dbraw/zinc/90/74/02/721907402.db2.gz HKMLCNKOYDLPFC-CYBMUJFWSA-N 1 1 376.844 3.097 20 5 GGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165043830 721955016 /nfs/dbraw/zinc/95/50/16/721955016.db2.gz DJRNXMPUDZIGQP-UHFFFAOYSA-N 1 1 376.844 3.153 20 5 GGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053454 722012075 /nfs/dbraw/zinc/01/20/75/722012075.db2.gz GNBJKIVSEYGVOB-UHFFFAOYSA-N 1 1 382.251 3.056 20 5 GGBDMO COc1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164993885 722198177 /nfs/dbraw/zinc/19/81/77/722198177.db2.gz INQWTMFBODEQDG-HXUWFJFHSA-N 1 1 386.427 3.382 20 5 GGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001575516981 949218729 /nfs/dbraw/zinc/21/87/29/949218729.db2.gz SHMJSYQTDKGGQX-JSGCOSHPSA-N 1 1 397.414 3.161 20 5 GGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001575516983 949222257 /nfs/dbraw/zinc/22/22/57/949222257.db2.gz SHMJSYQTDKGGQX-TZMCWYRMSA-N 1 1 397.414 3.161 20 5 GGBDMO CCC(CC)[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000030943001 207377983 /nfs/dbraw/zinc/37/79/83/207377983.db2.gz AJCPUUFCUAHWPD-GOSISDBHSA-N 1 1 395.525 3.184 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000095405692 208179965 /nfs/dbraw/zinc/17/99/65/208179965.db2.gz ZAELKFACWPDODM-LLVKDONJSA-N 1 1 382.367 3.308 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)nc1 ZINC000118866509 564247062 /nfs/dbraw/zinc/24/70/62/564247062.db2.gz UNSONDYQFYOBKO-CQSZACIVSA-N 1 1 377.242 3.439 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)nc1 ZINC000118866509 564247065 /nfs/dbraw/zinc/24/70/65/564247065.db2.gz UNSONDYQFYOBKO-CQSZACIVSA-N 1 1 377.242 3.439 20 5 GGBDMO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000119688106 564283058 /nfs/dbraw/zinc/28/30/58/564283058.db2.gz GIUCRNOTVIZKSJ-LLVKDONJSA-N 1 1 383.857 3.007 20 5 GGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120101016 564304654 /nfs/dbraw/zinc/30/46/54/564304654.db2.gz VFIMBWXLSDVELQ-LBPRGKRZSA-N 1 1 384.274 3.208 20 5 GGBDMO C[N@@H+](Cc1ccccc1Br)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711970 564349069 /nfs/dbraw/zinc/34/90/69/564349069.db2.gz DYPWMLPLXDFIDV-OAHLLOKOSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@H+](Cc1ccccc1Br)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711970 564349073 /nfs/dbraw/zinc/34/90/73/564349073.db2.gz DYPWMLPLXDFIDV-OAHLLOKOSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712839 564349082 /nfs/dbraw/zinc/34/90/82/564349082.db2.gz AIVWQZUPCMDUFK-INIZCTEOSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000123681623 564458369 /nfs/dbraw/zinc/45/83/69/564458369.db2.gz CEMWGRYHNKODRW-UHFFFAOYSA-N 1 1 390.237 3.450 20 5 GGBDMO C[N@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000123681623 564458372 /nfs/dbraw/zinc/45/83/72/564458372.db2.gz CEMWGRYHNKODRW-UHFFFAOYSA-N 1 1 390.237 3.450 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000125856192 564529372 /nfs/dbraw/zinc/52/93/72/564529372.db2.gz DXGKOHABTPWUAA-ZDUSSCGKSA-N 1 1 398.301 3.470 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000129140067 564639299 /nfs/dbraw/zinc/63/92/99/564639299.db2.gz SEPPBNFEIBEQMN-UHFFFAOYSA-N 1 1 389.543 3.008 20 5 GGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000129807785 564660913 /nfs/dbraw/zinc/66/09/13/564660913.db2.gz CINAHKCYQAQUME-CYBMUJFWSA-N 1 1 398.301 3.136 20 5 GGBDMO Cc1c(Cl)cc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000060950706 564703130 /nfs/dbraw/zinc/70/31/30/564703130.db2.gz UIOYNIYLJQTTFA-GFCCVEGCSA-N 1 1 389.905 3.099 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000131247558 564706624 /nfs/dbraw/zinc/70/66/24/564706624.db2.gz BHSJWCLUVVRKKQ-MRXNPFEDSA-N 1 1 392.253 3.356 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000131247558 564706628 /nfs/dbraw/zinc/70/66/28/564706628.db2.gz BHSJWCLUVVRKKQ-MRXNPFEDSA-N 1 1 392.253 3.356 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000134463742 564804591 /nfs/dbraw/zinc/80/45/91/564804591.db2.gz SXNOKGQUPGJUBI-JTQLQIEISA-N 1 1 375.376 3.146 20 5 GGBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000096573034 564902928 /nfs/dbraw/zinc/90/29/28/564902928.db2.gz YHWSMHHHOSXGKX-UHFFFAOYSA-N 1 1 377.242 3.075 20 5 GGBDMO C[C@@H]1C[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000097635713 564909527 /nfs/dbraw/zinc/90/95/27/564909527.db2.gz IYBHEEIKIATDLX-KOLCDFICSA-N 1 1 375.210 3.094 20 5 GGBDMO C[N@@H+](CCc1ccc(Br)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000106861723 564990362 /nfs/dbraw/zinc/99/03/62/564990362.db2.gz CLGVTONEUJRANI-UHFFFAOYSA-N 1 1 392.253 3.131 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000107801824 565002644 /nfs/dbraw/zinc/00/26/44/565002644.db2.gz IQGSUWXDWRQOJF-LLVKDONJSA-N 1 1 375.210 3.096 20 5 GGBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000153852119 565014185 /nfs/dbraw/zinc/01/41/85/565014185.db2.gz FUJJRRLCEUISDA-HNNXBMFYSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000153852244 565014407 /nfs/dbraw/zinc/01/44/07/565014407.db2.gz FUJJRRLCEUISDA-OAHLLOKOSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc([N+](=O)[O-])cc1Br ZINC000155052054 565060627 /nfs/dbraw/zinc/06/06/27/565060627.db2.gz CQACVJJITLNTPR-HNNXBMFYSA-N 1 1 395.253 3.229 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155220139 565064770 /nfs/dbraw/zinc/06/47/70/565064770.db2.gz WFPJTBYXHFWUCS-UHFFFAOYSA-N 1 1 396.245 3.464 20 5 GGBDMO CN(C)[C@@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCSC1 ZINC000267108261 565105363 /nfs/dbraw/zinc/10/53/63/565105363.db2.gz QNCQEBIQIOFCKB-QGZVFWFLSA-N 1 1 378.523 3.245 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158769818 565180720 /nfs/dbraw/zinc/18/07/20/565180720.db2.gz FDHJYKUEUSYNFE-GFCCVEGCSA-N 1 1 384.274 3.352 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158769968 565181196 /nfs/dbraw/zinc/18/11/96/565181196.db2.gz FDHJYKUEUSYNFE-LBPRGKRZSA-N 1 1 384.274 3.352 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000294283460 565206446 /nfs/dbraw/zinc/20/64/46/565206446.db2.gz UWSAZLZCFQQRMU-KRWDZBQOSA-N 1 1 396.285 3.224 20 5 GGBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1Br ZINC000295433898 565265448 /nfs/dbraw/zinc/26/54/48/565265448.db2.gz VZTVRDMECBDQDJ-IRXDYDNUSA-N 1 1 395.253 3.056 20 5 GGBDMO C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272711085 565295869 /nfs/dbraw/zinc/29/58/69/565295869.db2.gz KRXSXOAUFKUGRJ-SNVBAGLBSA-N 1 1 383.246 3.129 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272787397 565296675 /nfs/dbraw/zinc/29/66/75/565296675.db2.gz SPODNQYXGWVFEP-LLVKDONJSA-N 1 1 382.258 3.046 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000161921195 565297333 /nfs/dbraw/zinc/29/73/33/565297333.db2.gz CNUHKMDFPSTPJG-ABAIWWIYSA-N 1 1 381.274 3.205 20 5 GGBDMO Cc1c(Br)cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000163738832 565351270 /nfs/dbraw/zinc/35/12/70/565351270.db2.gz HVNKUWYEIJGQEM-AWEZNQCLSA-N 1 1 396.241 3.291 20 5 GGBDMO C[N@H+]1CCCC12CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)CC2 ZINC000377151458 565469199 /nfs/dbraw/zinc/46/91/99/565469199.db2.gz KVVCOBAZTCSEIL-UHFFFAOYSA-N 1 1 382.258 3.058 20 5 GGBDMO CC(C)[C@@H](CNc1cc(Br)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000301328208 565479476 /nfs/dbraw/zinc/47/94/76/565479476.db2.gz CJEIRAKATVHQDZ-MRXNPFEDSA-N 1 1 385.306 3.041 20 5 GGBDMO CC1CCC([NH+]2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000301511342 565491408 /nfs/dbraw/zinc/49/14/08/565491408.db2.gz DCYWXAIDJBRUAB-UHFFFAOYSA-N 1 1 383.290 3.453 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172555346 565491775 /nfs/dbraw/zinc/49/17/75/565491775.db2.gz UUIBTAZUYHJZPS-UHFFFAOYSA-N 1 1 396.285 3.448 20 5 GGBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1Br)Cc1ccc(F)cc1 ZINC000301517479 565492745 /nfs/dbraw/zinc/49/27/45/565492745.db2.gz FUHBZSZFFOVNBO-UHFFFAOYSA-N 1 1 383.221 3.435 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cn1 ZINC000301528717 565493729 /nfs/dbraw/zinc/49/37/29/565493729.db2.gz KCGWNWPWHNENMY-UHFFFAOYSA-N 1 1 389.213 3.254 20 5 GGBDMO C[C@@H]1C[N@H+](CCCCNc2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301661708 565503291 /nfs/dbraw/zinc/50/32/91/565503291.db2.gz KCTKTEIBGVNAAZ-TXEJJXNPSA-N 1 1 387.278 3.054 20 5 GGBDMO C[C@@H]1C[NH+](C(C)(C)CNc2ncc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301694736 565506106 /nfs/dbraw/zinc/50/61/06/565506106.db2.gz PBNQCEJOAPMZMB-GHMZBOCLSA-N 1 1 387.278 3.052 20 5 GGBDMO O=[N+]([O-])c1cncc(Br)c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301872577 565515479 /nfs/dbraw/zinc/51/54/79/565515479.db2.gz DFNLUSNVOFILOP-SMDDNHRTSA-N 1 1 381.274 3.205 20 5 GGBDMO COc1cc(C[N@H+]2CCSC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000190448809 565533212 /nfs/dbraw/zinc/53/32/12/565533212.db2.gz VLRLAQUAQSALKS-LLVKDONJSA-N 1 1 376.425 3.432 20 5 GGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000173280569 565543146 /nfs/dbraw/zinc/54/31/46/565543146.db2.gz SHPHEAXBXFOZFI-ZDUSSCGKSA-N 1 1 396.285 3.352 20 5 GGBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278823801 565579500 /nfs/dbraw/zinc/57/95/00/565579500.db2.gz YGLRCMFHCPCKOJ-ZDUSSCGKSA-N 1 1 398.301 3.042 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000408004901 565590973 /nfs/dbraw/zinc/59/09/73/565590973.db2.gz ZWKTVSCGKSZQGI-LRDDRELGSA-N 1 1 396.285 3.222 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000408005676 565591056 /nfs/dbraw/zinc/59/10/56/565591056.db2.gz RVCMRUMVTKLNOA-MLGOLLRUSA-N 1 1 396.285 3.222 20 5 GGBDMO Cc1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000408353369 565605471 /nfs/dbraw/zinc/60/54/71/565605471.db2.gz ARZRWAYCFYZGPQ-CYBMUJFWSA-N 1 1 398.301 3.355 20 5 GGBDMO Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000408353369 565605475 /nfs/dbraw/zinc/60/54/75/565605475.db2.gz ARZRWAYCFYZGPQ-CYBMUJFWSA-N 1 1 398.301 3.355 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000174739052 565654941 /nfs/dbraw/zinc/65/49/41/565654941.db2.gz HYDJNYZSBFIYBK-XJKSGUPXSA-N 1 1 385.251 3.296 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000174739052 565654947 /nfs/dbraw/zinc/65/49/47/565654947.db2.gz HYDJNYZSBFIYBK-XJKSGUPXSA-N 1 1 385.251 3.296 20 5 GGBDMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000280288148 565664022 /nfs/dbraw/zinc/66/40/22/565664022.db2.gz DZLMDWVAMMUHLR-QWRGUYRKSA-N 1 1 393.241 3.430 20 5 GGBDMO CCCn1cc[nH+]c1CCCN(C)c1ncc([N+](=O)[O-])cc1Br ZINC000192235926 565672411 /nfs/dbraw/zinc/67/24/11/565672411.db2.gz KVKHEZWZYSVCEK-UHFFFAOYSA-N 1 1 382.262 3.428 20 5 GGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000280536617 565678940 /nfs/dbraw/zinc/67/89/40/565678940.db2.gz PLEKLGPPFQSFCW-MNOVXSKESA-N 1 1 393.241 3.430 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192359011 565682085 /nfs/dbraw/zinc/68/20/85/565682085.db2.gz XQGCFLPYWWFFJI-GFCCVEGCSA-N 1 1 384.274 3.161 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000330476109 565709059 /nfs/dbraw/zinc/70/90/59/565709059.db2.gz GZBLHSLANHKWTM-LBPRGKRZSA-N 1 1 384.274 3.080 20 5 GGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176020301 565741109 /nfs/dbraw/zinc/74/11/09/565741109.db2.gz YMUUVTIJGNHFIC-AWEZNQCLSA-N 1 1 396.285 3.352 20 5 GGBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000331827312 565785610 /nfs/dbraw/zinc/78/56/10/565785610.db2.gz JCLPJKQNLMPBCK-UWVGGRQHSA-N 1 1 388.287 3.118 20 5 GGBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000331827315 565786479 /nfs/dbraw/zinc/78/64/79/565786479.db2.gz JCLPJKQNLMPBCK-VHSXEESVSA-N 1 1 388.287 3.118 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000331901889 565791791 /nfs/dbraw/zinc/79/17/91/565791791.db2.gz GXQKHKOQQGMHND-LBPRGKRZSA-N 1 1 396.285 3.412 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000176986039 565820813 /nfs/dbraw/zinc/82/08/13/565820813.db2.gz LTGSVXVZXRBKMS-RYUDHWBXSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177026642 565823835 /nfs/dbraw/zinc/82/38/35/565823835.db2.gz PREDRLWEQMGKDG-FRRDWIJNSA-N 1 1 398.301 3.454 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332524968 565842597 /nfs/dbraw/zinc/84/25/97/565842597.db2.gz BQGSTNWGXVFFHL-WCQYABFASA-N 1 1 396.285 3.365 20 5 GGBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000332597140 565846039 /nfs/dbraw/zinc/84/60/39/565846039.db2.gz PPCMDSXOSHIRGQ-QWHCGFSZSA-N 1 1 396.285 3.365 20 5 GGBDMO Cc1c(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332598537 565846059 /nfs/dbraw/zinc/84/60/59/565846059.db2.gz MNNCPHJQWONDPD-ZDUSSCGKSA-N 1 1 397.273 3.368 20 5 GGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000332597138 565846430 /nfs/dbraw/zinc/84/64/30/565846430.db2.gz PPCMDSXOSHIRGQ-OLZOCXBDSA-N 1 1 396.285 3.365 20 5 GGBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332595750 565846483 /nfs/dbraw/zinc/84/64/83/565846483.db2.gz GQMLTZGJCUSYAB-STQMWFEESA-N 1 1 382.258 3.056 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000284226907 565846735 /nfs/dbraw/zinc/84/67/35/565846735.db2.gz DQWIDEFKGLEWFB-ZUZCIYMTSA-N 1 1 384.274 3.078 20 5 GGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000178740399 565935660 /nfs/dbraw/zinc/93/56/60/565935660.db2.gz GGAPRVNTRYJOKC-SNVBAGLBSA-N 1 1 395.257 3.237 20 5 GGBDMO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1C[NH+](C)C ZINC000414464779 565937905 /nfs/dbraw/zinc/93/79/05/565937905.db2.gz OKYHZGBNXCRMNZ-UHFFFAOYSA-N 1 1 383.857 3.419 20 5 GGBDMO CCC(CC)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000179565440 565989259 /nfs/dbraw/zinc/98/92/59/565989259.db2.gz LCQFEVRRKNLELA-CQSZACIVSA-N 1 1 389.543 3.372 20 5 GGBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000179580827 565989941 /nfs/dbraw/zinc/98/99/41/565989941.db2.gz OEBIQNDTIPITFM-CQSZACIVSA-N 1 1 394.225 3.067 20 5 GGBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000179580827 565989947 /nfs/dbraw/zinc/98/99/47/565989947.db2.gz OEBIQNDTIPITFM-CQSZACIVSA-N 1 1 394.225 3.067 20 5 GGBDMO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000179596333 565991454 /nfs/dbraw/zinc/99/14/54/565991454.db2.gz NORDMFUKNHQOBP-OAHLLOKOSA-N 1 1 380.491 3.332 20 5 GGBDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000179596333 565991457 /nfs/dbraw/zinc/99/14/57/565991457.db2.gz NORDMFUKNHQOBP-OAHLLOKOSA-N 1 1 380.491 3.332 20 5 GGBDMO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000179596345 565991620 /nfs/dbraw/zinc/99/16/20/565991620.db2.gz NORDMFUKNHQOBP-HNNXBMFYSA-N 1 1 380.491 3.332 20 5 GGBDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000179596345 565991623 /nfs/dbraw/zinc/99/16/23/565991623.db2.gz NORDMFUKNHQOBP-HNNXBMFYSA-N 1 1 380.491 3.332 20 5 GGBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245697345 566001758 /nfs/dbraw/zinc/00/17/58/566001758.db2.gz SJWZFPYGVXNAPB-KBPBESRZSA-N 1 1 382.258 3.056 20 5 GGBDMO C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000287542872 566024780 /nfs/dbraw/zinc/02/47/80/566024780.db2.gz BQYCPZJNIOEXJB-ABAIWWIYSA-N 1 1 383.495 3.163 20 5 GGBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246996431 566048989 /nfs/dbraw/zinc/04/89/89/566048989.db2.gz PSCSGWZJINIEBC-AAEUAGOBSA-N 1 1 382.258 3.056 20 5 GGBDMO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000247014654 566050587 /nfs/dbraw/zinc/05/05/87/566050587.db2.gz LTGSVXVZXRBKMS-VXGBXAGGSA-N 1 1 384.274 3.208 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)cs2)c1 ZINC000180452413 566063959 /nfs/dbraw/zinc/06/39/59/566063959.db2.gz HLSUBQDAEMKWJT-JKSUJKDBSA-N 1 1 377.491 3.425 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)cs2)c1 ZINC000180452413 566063966 /nfs/dbraw/zinc/06/39/66/566063966.db2.gz HLSUBQDAEMKWJT-JKSUJKDBSA-N 1 1 377.491 3.425 20 5 GGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000248372632 566076380 /nfs/dbraw/zinc/07/63/80/566076380.db2.gz BDOJAFRRZWKKPJ-GXTWGEPZSA-N 1 1 383.901 3.283 20 5 GGBDMO C[N@H+](CCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000416507160 566079224 /nfs/dbraw/zinc/07/92/24/566079224.db2.gz MDRSOGPTSQPDEY-UHFFFAOYSA-N 1 1 396.296 3.054 20 5 GGBDMO C[N@@H+](CCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000416507160 566079229 /nfs/dbraw/zinc/07/92/29/566079229.db2.gz MDRSOGPTSQPDEY-UHFFFAOYSA-N 1 1 396.296 3.054 20 5 GGBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181073556 566110738 /nfs/dbraw/zinc/11/07/38/566110738.db2.gz UCXKTJRYDQOAFD-INIZCTEOSA-N 1 1 392.253 3.058 20 5 GGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181073556 566110742 /nfs/dbraw/zinc/11/07/42/566110742.db2.gz UCXKTJRYDQOAFD-INIZCTEOSA-N 1 1 392.253 3.058 20 5 GGBDMO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Br ZINC000365855582 566122492 /nfs/dbraw/zinc/12/24/92/566122492.db2.gz IGRHZTXYFHIPCM-UHFFFAOYSA-N 1 1 395.257 3.400 20 5 GGBDMO Cc1noc(C)c1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289684876 566135492 /nfs/dbraw/zinc/13/54/92/566135492.db2.gz AYKWCFUMZLZBMB-UHFFFAOYSA-N 1 1 387.177 3.094 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000181559317 566148909 /nfs/dbraw/zinc/14/89/09/566148909.db2.gz WPGXACOALJRFSF-CYBMUJFWSA-N 1 1 383.857 3.352 20 5 GGBDMO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000290176167 566160840 /nfs/dbraw/zinc/16/08/40/566160840.db2.gz NGWSLRGPEBFWJM-UHFFFAOYSA-N 1 1 386.857 3.421 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000366621928 566162179 /nfs/dbraw/zinc/16/21/79/566162179.db2.gz ZYKYDBVBGVLSEV-VIFPVBQESA-N 1 1 375.376 3.183 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000366621928 566162185 /nfs/dbraw/zinc/16/21/85/566162185.db2.gz ZYKYDBVBGVLSEV-VIFPVBQESA-N 1 1 375.376 3.183 20 5 GGBDMO CC[C@@](C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000182193686 566189408 /nfs/dbraw/zinc/18/94/08/566189408.db2.gz YQRWKCGJZBJOSA-MRXNPFEDSA-N 1 1 383.495 3.048 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(c3cccc(Cl)c3)CC2)cc1 ZINC000182430253 566204389 /nfs/dbraw/zinc/20/43/89/566204389.db2.gz XIWDMTIUYUBWNS-UHFFFAOYSA-N 1 1 380.853 3.301 20 5 GGBDMO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Br)c1 ZINC000368034579 566228936 /nfs/dbraw/zinc/22/89/36/566228936.db2.gz BTMDXZFDJGIUOG-UHFFFAOYSA-N 1 1 395.257 3.400 20 5 GGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000183158951 566240083 /nfs/dbraw/zinc/24/00/83/566240083.db2.gz BDOJAFRRZWKKPJ-TZMCWYRMSA-N 1 1 383.901 3.283 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183325671 566243991 /nfs/dbraw/zinc/24/39/91/566243991.db2.gz AGBYYBASJRMHGV-UHFFFAOYSA-N 1 1 382.873 3.442 20 5 GGBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)CC2 ZINC000368700926 566244293 /nfs/dbraw/zinc/24/42/93/566244293.db2.gz XIKKHRHZWLQOJB-UHFFFAOYSA-N 1 1 382.258 3.058 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)c1 ZINC000599526908 566271582 /nfs/dbraw/zinc/27/15/82/566271582.db2.gz WFRPSXPHOURDTJ-OAHLLOKOSA-N 1 1 397.298 3.420 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)c1 ZINC000599526907 566271910 /nfs/dbraw/zinc/27/19/10/566271910.db2.gz WFRPSXPHOURDTJ-HNNXBMFYSA-N 1 1 397.298 3.420 20 5 GGBDMO O=[N+]([O-])c1cc(I)cc(Cn2c[nH+]c3c2CCCC3)c1 ZINC000556257497 566277728 /nfs/dbraw/zinc/27/77/28/566277728.db2.gz AWGOLOJCGNAQFB-UHFFFAOYSA-N 1 1 383.189 3.323 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599607366 566280634 /nfs/dbraw/zinc/28/06/34/566280634.db2.gz NYONIAPPQXUYED-GFCCVEGCSA-N 1 1 384.274 3.161 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599666712 566284120 /nfs/dbraw/zinc/28/41/20/566284120.db2.gz BRCABKLGHNZNML-LBPRGKRZSA-N 1 1 384.274 3.065 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599709690 566290401 /nfs/dbraw/zinc/29/04/01/566290401.db2.gz VHLFFXURACRBEV-UHFFFAOYSA-N 1 1 381.230 3.025 20 5 GGBDMO C[N@H+]1CCCC12CCN(C(=O)c1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000599732003 566291286 /nfs/dbraw/zinc/29/12/86/566291286.db2.gz HTFYYFXBEBKLOO-UHFFFAOYSA-N 1 1 382.258 3.058 20 5 GGBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599831664 566299146 /nfs/dbraw/zinc/29/91/46/566299146.db2.gz VMLURLNAEHFHHL-UHFFFAOYSA-N 1 1 384.274 3.209 20 5 GGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600087531 566314666 /nfs/dbraw/zinc/31/46/66/566314666.db2.gz MQVKCNBADZJFOY-NSHDSACASA-N 1 1 384.274 3.208 20 5 GGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000600085399 566314846 /nfs/dbraw/zinc/31/48/46/566314846.db2.gz LGNUKNJQMJOGAR-OLZOCXBDSA-N 1 1 382.258 3.104 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600315314 566332356 /nfs/dbraw/zinc/33/23/56/566332356.db2.gz RSKJUFXTXKIDME-LBPRGKRZSA-N 1 1 384.274 3.127 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000576288523 566332365 /nfs/dbraw/zinc/33/23/65/566332365.db2.gz HERBVAHSADLBPT-UHFFFAOYSA-N 1 1 380.853 3.301 20 5 GGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000446273462 566339464 /nfs/dbraw/zinc/33/94/64/566339464.db2.gz AHOVHNCXIFMUCB-JSGCOSHPSA-N 1 1 398.301 3.231 20 5 GGBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000536080733 566350478 /nfs/dbraw/zinc/35/04/78/566350478.db2.gz VADLSPSRVBLWAU-MRXNPFEDSA-N 1 1 390.237 3.274 20 5 GGBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000536080733 566350482 /nfs/dbraw/zinc/35/04/82/566350482.db2.gz VADLSPSRVBLWAU-MRXNPFEDSA-N 1 1 390.237 3.274 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000556985332 566353089 /nfs/dbraw/zinc/35/30/89/566353089.db2.gz ZGFPWPFRKQPYJF-LBPRGKRZSA-N 1 1 384.274 3.268 20 5 GGBDMO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000462824221 566354611 /nfs/dbraw/zinc/35/46/11/566354611.db2.gz CUHMMWMDNVZOLI-JTQLQIEISA-N 1 1 378.210 3.056 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000577236394 566418216 /nfs/dbraw/zinc/41/82/16/566418216.db2.gz VBZFORHZTHRUJT-HNNXBMFYSA-N 1 1 384.274 3.078 20 5 GGBDMO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000510970404 566424183 /nfs/dbraw/zinc/42/41/83/566424183.db2.gz UMRQBQXAJAOPSH-NSHDSACASA-N 1 1 396.296 3.054 20 5 GGBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000510970404 566424186 /nfs/dbraw/zinc/42/41/86/566424186.db2.gz UMRQBQXAJAOPSH-NSHDSACASA-N 1 1 396.296 3.054 20 5 GGBDMO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071964 566434519 /nfs/dbraw/zinc/43/45/19/566434519.db2.gz BYLZQBZXVJKNSC-UHFFFAOYSA-N 1 1 381.885 3.443 20 5 GGBDMO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071964 566434524 /nfs/dbraw/zinc/43/45/24/566434524.db2.gz BYLZQBZXVJKNSC-UHFFFAOYSA-N 1 1 381.885 3.443 20 5 GGBDMO Cc1cc(N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000463856601 566439274 /nfs/dbraw/zinc/43/92/74/566439274.db2.gz DJQMUQNYKZTGTD-UHFFFAOYSA-N 1 1 376.221 3.430 20 5 GGBDMO CCOC[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000577664282 566454432 /nfs/dbraw/zinc/45/44/32/566454432.db2.gz KZZOKPBLGRRXLJ-LLVKDONJSA-N 1 1 390.221 3.058 20 5 GGBDMO CCOC[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000577664282 566454442 /nfs/dbraw/zinc/45/44/42/566454442.db2.gz KZZOKPBLGRRXLJ-LLVKDONJSA-N 1 1 390.221 3.058 20 5 GGBDMO CCOC[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000577664283 566455591 /nfs/dbraw/zinc/45/55/91/566455591.db2.gz KZZOKPBLGRRXLJ-NSHDSACASA-N 1 1 390.221 3.058 20 5 GGBDMO CCOC[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000577664283 566455595 /nfs/dbraw/zinc/45/55/95/566455595.db2.gz KZZOKPBLGRRXLJ-NSHDSACASA-N 1 1 390.221 3.058 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000448283750 566467950 /nfs/dbraw/zinc/46/79/50/566467950.db2.gz NHDYJFJSHPZKDV-ZDUSSCGKSA-N 1 1 398.301 3.455 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000448424208 566473653 /nfs/dbraw/zinc/47/36/53/566473653.db2.gz JAIWNBGWQKCQKP-ZDUSSCGKSA-N 1 1 398.301 3.455 20 5 GGBDMO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)N1CCCC[C@H]1C ZINC000602525443 566475204 /nfs/dbraw/zinc/47/52/04/566475204.db2.gz AXAVLZOGVAQOKE-ZJUUUORDSA-N 1 1 390.303 3.298 20 5 GGBDMO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)N1CCCC[C@@H]1C ZINC000602525442 566475632 /nfs/dbraw/zinc/47/56/32/566475632.db2.gz AXAVLZOGVAQOKE-VHSXEESVSA-N 1 1 390.303 3.298 20 5 GGBDMO O=[N+]([O-])c1sc(C[NH2+][C@@]2(CO)CCc3ccccc32)cc1Br ZINC000602581341 566479330 /nfs/dbraw/zinc/47/93/30/566479330.db2.gz ICSMHFTYZPXKHY-OAHLLOKOSA-N 1 1 383.267 3.342 20 5 GGBDMO C[N@H+]1CCC[C@H](CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000538088614 566492060 /nfs/dbraw/zinc/49/20/60/566492060.db2.gz IBJMEYKZGZDCIL-LLVKDONJSA-N 1 1 379.258 3.081 20 5 GGBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000578383477 566517816 /nfs/dbraw/zinc/51/78/16/566517816.db2.gz RMGKCKYTINOOHB-LLVKDONJSA-N 1 1 391.269 3.224 20 5 GGBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCC2)CC1 ZINC000578420912 566520718 /nfs/dbraw/zinc/52/07/18/566520718.db2.gz LKQTVTJBIUANGC-UHFFFAOYSA-N 1 1 396.285 3.305 20 5 GGBDMO C[N@H+](Cc1cccc(Br)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604016316 566550765 /nfs/dbraw/zinc/55/07/65/566550765.db2.gz PDOYDJABRMZJPF-INIZCTEOSA-N 1 1 395.253 3.229 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449446196 566562711 /nfs/dbraw/zinc/56/27/11/566562711.db2.gz ORCMTRPPOIJATP-NSHDSACASA-N 1 1 380.388 3.482 20 5 GGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@@H]1C ZINC000579137093 566583244 /nfs/dbraw/zinc/58/32/44/566583244.db2.gz BHLDUVOZYGVAPD-WDEREUQCSA-N 1 1 384.274 3.220 20 5 GGBDMO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000425411255 566639949 /nfs/dbraw/zinc/63/99/49/566639949.db2.gz YIAJXLDVDLEVFZ-CYBMUJFWSA-N 1 1 383.242 3.132 20 5 GGBDMO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425453959 566644858 /nfs/dbraw/zinc/64/48/58/566644858.db2.gz CSDIDXJYNITQMA-CYBMUJFWSA-N 1 1 384.274 3.096 20 5 GGBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425453959 566644864 /nfs/dbraw/zinc/64/48/64/566644864.db2.gz CSDIDXJYNITQMA-CYBMUJFWSA-N 1 1 384.274 3.096 20 5 GGBDMO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000487092836 566648248 /nfs/dbraw/zinc/64/82/48/566648248.db2.gz IFHRGLPXROWJKL-WDEREUQCSA-N 1 1 396.296 3.053 20 5 GGBDMO CC(C)(C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1)C(N)=O ZINC000425496165 566650089 /nfs/dbraw/zinc/65/00/89/566650089.db2.gz UNQJFNPXBOXBBF-GFCCVEGCSA-N 1 1 398.301 3.471 20 5 GGBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1)C(N)=O ZINC000425496165 566650092 /nfs/dbraw/zinc/65/00/92/566650092.db2.gz UNQJFNPXBOXBBF-GFCCVEGCSA-N 1 1 398.301 3.471 20 5 GGBDMO CC(C)(C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1)C(N)=O ZINC000425496168 566651177 /nfs/dbraw/zinc/65/11/77/566651177.db2.gz UNQJFNPXBOXBBF-LBPRGKRZSA-N 1 1 398.301 3.471 20 5 GGBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1)C(N)=O ZINC000425496168 566651181 /nfs/dbraw/zinc/65/11/81/566651181.db2.gz UNQJFNPXBOXBBF-LBPRGKRZSA-N 1 1 398.301 3.471 20 5 GGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncc([N+](=O)[O-])cc1Br ZINC000561408199 566702851 /nfs/dbraw/zinc/70/28/51/566702851.db2.gz JXGMUFTVWNGDIO-UHFFFAOYSA-N 1 1 383.246 3.304 20 5 GGBDMO CC(C)(O)C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000580545949 566702979 /nfs/dbraw/zinc/70/29/79/566702979.db2.gz AUBLOTBNVABEEB-UHFFFAOYSA-N 1 1 387.274 3.109 20 5 GGBDMO CCCC[N@@H+](CCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580861859 566729518 /nfs/dbraw/zinc/72/95/18/566729518.db2.gz TUYJJQPGWCMPNT-UHFFFAOYSA-N 1 1 392.237 3.184 20 5 GGBDMO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000608835430 566737195 /nfs/dbraw/zinc/73/71/95/566737195.db2.gz CBGBYMAEQSPGPG-SNVBAGLBSA-N 1 1 396.241 3.232 20 5 GGBDMO CC[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CCC(F)(F)F ZINC000427414455 566772019 /nfs/dbraw/zinc/77/20/19/566772019.db2.gz PHHTZTIVUHJWNN-UHFFFAOYSA-N 1 1 381.782 3.181 20 5 GGBDMO O=C(Cn1c[nH+]c2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451194505 566775052 /nfs/dbraw/zinc/77/50/52/566775052.db2.gz YVDVKNNJNLHSLU-UHFFFAOYSA-N 1 1 379.214 3.071 20 5 GGBDMO COc1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c(Br)cc1O ZINC000609599657 566775070 /nfs/dbraw/zinc/77/50/70/566775070.db2.gz KTGSVARRYQSAPH-UHFFFAOYSA-N 1 1 397.225 3.370 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000489309440 566780288 /nfs/dbraw/zinc/78/02/88/566780288.db2.gz AHFAAEDYLYHINJ-OAHLLOKOSA-N 1 1 384.274 3.078 20 5 GGBDMO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000609855630 566789871 /nfs/dbraw/zinc/78/98/71/566789871.db2.gz MYDPDQYOVQIBGH-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000609855630 566789878 /nfs/dbraw/zinc/78/98/78/566789878.db2.gz MYDPDQYOVQIBGH-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](CCc2cccs2)CC1 ZINC000609874496 566791690 /nfs/dbraw/zinc/79/16/90/566791690.db2.gz FDBAQOVRVCWQTG-UHFFFAOYSA-N 1 1 379.869 3.310 20 5 GGBDMO Cc1cccc(NCCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000542366053 566795987 /nfs/dbraw/zinc/79/59/87/566795987.db2.gz XVLSZCSHHVGJGS-UHFFFAOYSA-N 1 1 380.857 3.272 20 5 GGBDMO Cc1c(Br)cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000470170413 566853381 /nfs/dbraw/zinc/85/33/81/566853381.db2.gz UNFOZLSPXHKDDU-AWEZNQCLSA-N 1 1 396.285 3.412 20 5 GGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000470237388 566858680 /nfs/dbraw/zinc/85/86/80/566858680.db2.gz MJVNBTHHFXOCCQ-CYBMUJFWSA-N 1 1 396.285 3.161 20 5 GGBDMO C[C@H]1COCC[N@H+]1C1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000582428801 566861897 /nfs/dbraw/zinc/86/18/97/566861897.db2.gz ZXNAVJIKRPDSTA-ZDUSSCGKSA-N 1 1 398.301 3.042 20 5 GGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CO)c3ccc(Br)cc3)nc2c1 ZINC000428791865 566879468 /nfs/dbraw/zinc/87/94/68/566879468.db2.gz UUFYMUWCOXDTOI-OAHLLOKOSA-N 1 1 391.225 3.057 20 5 GGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658825 566898250 /nfs/dbraw/zinc/89/82/50/566898250.db2.gz UILINFKHJKYDMH-LBPRGKRZSA-N 1 1 389.905 3.037 20 5 GGBDMO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451893480 566903255 /nfs/dbraw/zinc/90/32/55/566903255.db2.gz QQSSOXAGQCVLTH-UHFFFAOYSA-N 1 1 398.312 3.300 20 5 GGBDMO C[N@@H+](CCc1ccncc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000518840972 566906373 /nfs/dbraw/zinc/90/63/73/566906373.db2.gz BYGXOVXXSQWOCR-UHFFFAOYSA-N 1 1 397.216 3.269 20 5 GGBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])c(C)c1Br)CCC(F)(F)F ZINC000491608570 566912638 /nfs/dbraw/zinc/91/26/38/566912638.db2.gz ZAOSWENXBNTIAM-UHFFFAOYSA-N 1 1 399.211 3.169 20 5 GGBDMO O=[N+]([O-])c1cc(I)ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000611370603 566913073 /nfs/dbraw/zinc/91/30/73/566913073.db2.gz YHRBHIBJOOIQTD-SNVBAGLBSA-N 1 1 398.204 3.307 20 5 GGBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000583662450 566971272 /nfs/dbraw/zinc/97/12/72/566971272.db2.gz DFHPAHQIMTUQQR-LLVKDONJSA-N 1 1 378.235 3.137 20 5 GGBDMO CC(C)[N@@H+](C)C[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564420471 566973839 /nfs/dbraw/zinc/97/38/39/566973839.db2.gz WTUCVXJPCCIGLE-NSHDSACASA-N 1 1 391.253 3.018 20 5 GGBDMO CC(C)N(C)C[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564420471 566973844 /nfs/dbraw/zinc/97/38/44/566973844.db2.gz WTUCVXJPCCIGLE-NSHDSACASA-N 1 1 391.253 3.018 20 5 GGBDMO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000452569821 566992160 /nfs/dbraw/zinc/99/21/60/566992160.db2.gz FFJZAJWPSGRUOA-LBPRGKRZSA-N 1 1 383.901 3.283 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCn1cc(Br)cn1 ZINC000520280985 566994024 /nfs/dbraw/zinc/99/40/24/566994024.db2.gz DXVZXNWWCDITNR-UHFFFAOYSA-N 1 1 397.273 3.473 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCn1cc(Br)cn1 ZINC000520280985 566994032 /nfs/dbraw/zinc/99/40/32/566994032.db2.gz DXVZXNWWCDITNR-UHFFFAOYSA-N 1 1 397.273 3.473 20 5 GGBDMO C[N@@H+](CCc1ccccn1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000520292045 566996109 /nfs/dbraw/zinc/99/61/09/566996109.db2.gz NUJJYPSGJNLGFI-UHFFFAOYSA-N 1 1 397.216 3.269 20 5 GGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585699213 567079296 /nfs/dbraw/zinc/07/92/96/567079296.db2.gz RLDZBKFJWQGOOF-GFCCVEGCSA-N 1 1 384.274 3.270 20 5 GGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585699214 567080251 /nfs/dbraw/zinc/08/02/51/567080251.db2.gz RLDZBKFJWQGOOF-LBPRGKRZSA-N 1 1 384.274 3.270 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000585700288 567080843 /nfs/dbraw/zinc/08/08/43/567080843.db2.gz LADKLNPGNFCGLC-OLZOCXBDSA-N 1 1 396.285 3.365 20 5 GGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000431500781 567086385 /nfs/dbraw/zinc/08/63/85/567086385.db2.gz TYSNWYSSMDUURM-BXUZGUMPSA-N 1 1 384.274 3.302 20 5 GGBDMO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000431641685 567099608 /nfs/dbraw/zinc/09/96/08/567099608.db2.gz WQBBYTSTIYAHIE-NWDGAFQWSA-N 1 1 384.274 3.350 20 5 GGBDMO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000589252258 567169767 /nfs/dbraw/zinc/16/97/67/567169767.db2.gz QFPATUHEUBDNDF-NSHDSACASA-N 1 1 390.221 3.058 20 5 GGBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2ccc(F)cn2)c1 ZINC000589315673 567175507 /nfs/dbraw/zinc/17/55/07/567175507.db2.gz PGPZPALWYODYMY-UHFFFAOYSA-N 1 1 387.152 3.023 20 5 GGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000589630985 567188374 /nfs/dbraw/zinc/18/83/74/567188374.db2.gz NOPFHGNWEGRTOI-GFCCVEGCSA-N 1 1 386.290 3.136 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000474790279 567199121 /nfs/dbraw/zinc/19/91/21/567199121.db2.gz MEGLVVPUGVXLOT-UHFFFAOYSA-N 1 1 394.273 3.167 20 5 GGBDMO CC[N@@H+](C)CCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000498752557 567200152 /nfs/dbraw/zinc/20/01/52/567200152.db2.gz HTQWJAJUCXBKFT-UHFFFAOYSA-N 1 1 380.495 3.192 20 5 GGBDMO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000566954079 567206721 /nfs/dbraw/zinc/20/67/21/567206721.db2.gz ZVZYXJCYGLNJMN-ZDUSSCGKSA-N 1 1 379.258 3.391 20 5 GGBDMO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000566954079 567206724 /nfs/dbraw/zinc/20/67/24/567206724.db2.gz ZVZYXJCYGLNJMN-ZDUSSCGKSA-N 1 1 379.258 3.391 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433321756 567242200 /nfs/dbraw/zinc/24/22/00/567242200.db2.gz OQUYFYNMQUGXHO-CYBMUJFWSA-N 1 1 379.258 3.155 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433321757 567242669 /nfs/dbraw/zinc/24/26/69/567242669.db2.gz OQUYFYNMQUGXHO-ZDUSSCGKSA-N 1 1 379.258 3.155 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000475366331 567243894 /nfs/dbraw/zinc/24/38/94/567243894.db2.gz UGWPLNRJTDMTSK-UHFFFAOYSA-N 1 1 379.258 3.254 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000475366331 567243899 /nfs/dbraw/zinc/24/38/99/567243899.db2.gz UGWPLNRJTDMTSK-UHFFFAOYSA-N 1 1 379.258 3.254 20 5 GGBDMO C[N@H+]1CC[C@@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000567840014 567283102 /nfs/dbraw/zinc/28/31/02/567283102.db2.gz LRBPGIABXRDVQV-BMIGLBTASA-N 1 1 377.242 3.046 20 5 GGBDMO C[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000435242729 567352335 /nfs/dbraw/zinc/35/23/35/567352335.db2.gz NMJAACWQUJELEU-UHFFFAOYSA-N 1 1 380.242 3.365 20 5 GGBDMO Cc1c(NC(=O)NCC[N@@H+]2CC=C(C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435327605 567356164 /nfs/dbraw/zinc/35/61/64/567356164.db2.gz HYGWKUXDQTUSRT-UHFFFAOYSA-N 1 1 397.273 3.439 20 5 GGBDMO Cc1c(NC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435326246 567356269 /nfs/dbraw/zinc/35/62/69/567356269.db2.gz CEHFQVFDMCUOCO-JQWIXIFHSA-N 1 1 385.262 3.270 20 5 GGBDMO CCCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592829769 567368790 /nfs/dbraw/zinc/36/87/90/567368790.db2.gz YJBXERFDNANUSQ-CYBMUJFWSA-N 1 1 384.274 3.222 20 5 GGBDMO O=[N+]([O-])c1cc(I)ccc1NCc1c[nH+]c2n1CCCC2 ZINC000549171263 567376529 /nfs/dbraw/zinc/37/65/29/567376529.db2.gz BQSQSWVHRQWDLE-UHFFFAOYSA-N 1 1 398.204 3.344 20 5 GGBDMO Cc1sc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000435632444 567381587 /nfs/dbraw/zinc/38/15/87/567381587.db2.gz OJRGFIRCLAFZDU-AWEZNQCLSA-N 1 1 387.527 3.040 20 5 GGBDMO CCC[N@@H+](CC)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000569175168 567383837 /nfs/dbraw/zinc/38/38/37/567383837.db2.gz DWTABAFOEUXTHE-UHFFFAOYSA-N 1 1 391.253 3.021 20 5 GGBDMO CCCN(CC)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569175168 567383842 /nfs/dbraw/zinc/38/38/42/567383842.db2.gz DWTABAFOEUXTHE-UHFFFAOYSA-N 1 1 391.253 3.021 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000502099258 567420362 /nfs/dbraw/zinc/42/03/62/567420362.db2.gz PLSVQRDBRMYLSG-LBPRGKRZSA-N 1 1 379.258 3.224 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457090202 567437907 /nfs/dbraw/zinc/43/79/07/567437907.db2.gz LTVVBKZJGZTPGY-LBPRGKRZSA-N 1 1 384.274 3.220 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457172169 567446323 /nfs/dbraw/zinc/44/63/23/567446323.db2.gz TWDNUTSUIMQTDF-UHFFFAOYSA-N 1 1 384.274 3.270 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594199440 567464566 /nfs/dbraw/zinc/46/45/66/567464566.db2.gz ZKSKLDRTZMLXRT-JKSUJKDBSA-N 1 1 396.285 3.033 20 5 GGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594196668 567465404 /nfs/dbraw/zinc/46/54/04/567465404.db2.gz LJZOOVOYOFYKMX-ZIAGYGMSSA-N 1 1 383.901 3.473 20 5 GGBDMO C[NH+]1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000619587464 567468414 /nfs/dbraw/zinc/46/84/14/567468414.db2.gz ZVSMHYUGQOJJTG-UHFFFAOYSA-N 1 1 385.306 3.185 20 5 GGBDMO Cc1c(Br)cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458187129 567530314 /nfs/dbraw/zinc/53/03/14/567530314.db2.gz HYIWMKIHLXZCLH-GFCCVEGCSA-N 1 1 384.274 3.127 20 5 GGBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000571366138 567556113 /nfs/dbraw/zinc/55/61/13/567556113.db2.gz YQVBNXXWHSSJPG-ZDUSSCGKSA-N 1 1 392.237 3.038 20 5 GGBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000595591049 567572670 /nfs/dbraw/zinc/57/26/70/567572670.db2.gz CIKUIIRQVYNNDB-MRXNPFEDSA-N 1 1 379.254 3.393 20 5 GGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000505663259 567590035 /nfs/dbraw/zinc/59/00/35/567590035.db2.gz YHLYOZMTQHBFFM-QGZVFWFLSA-N 1 1 383.901 3.285 20 5 GGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(O)c3Br)CC2)n1 ZINC000459518734 567632454 /nfs/dbraw/zinc/63/24/54/567632454.db2.gz PBUFPLAVVCHOCU-UHFFFAOYSA-N 1 1 381.230 3.097 20 5 GGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000507276650 567673155 /nfs/dbraw/zinc/67/31/55/567673155.db2.gz GFGFHSJHULWGAM-GFCCVEGCSA-N 1 1 389.905 3.037 20 5 GGBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000573116826 567689303 /nfs/dbraw/zinc/68/93/03/567689303.db2.gz CMEFVWYNNJBJAS-ZDUSSCGKSA-N 1 1 389.283 3.256 20 5 GGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128685 567710788 /nfs/dbraw/zinc/71/07/88/567710788.db2.gz QFZDRTPXSUIFFU-HUBLWGQQSA-N 1 1 396.285 3.160 20 5 GGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000597709743 567713086 /nfs/dbraw/zinc/71/30/86/567713086.db2.gz AUXTUXZOPZFWLB-QGZVFWFLSA-N 1 1 383.901 3.285 20 5 GGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597861906 567720536 /nfs/dbraw/zinc/72/05/36/567720536.db2.gz XYGSZXSNVRPKPM-NSHDSACASA-N 1 1 384.274 3.208 20 5 GGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597861904 567721486 /nfs/dbraw/zinc/72/14/86/567721486.db2.gz XYGSZXSNVRPKPM-LLVKDONJSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443504573 567764187 /nfs/dbraw/zinc/76/41/87/567764187.db2.gz YCYXAHNVLMIKHG-QWRGUYRKSA-N 1 1 379.258 3.434 20 5 GGBDMO C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000443504572 567764367 /nfs/dbraw/zinc/76/43/67/567764367.db2.gz YCYXAHNVLMIKHG-MNOVXSKESA-N 1 1 379.258 3.434 20 5 GGBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Br)cc1 ZINC000534134905 567801110 /nfs/dbraw/zinc/80/11/10/567801110.db2.gz XIFROHJWZBFMNN-UHFFFAOYSA-N 1 1 394.269 3.430 20 5 GGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599147913 567807820 /nfs/dbraw/zinc/80/78/20/567807820.db2.gz SZQZHORJQNZCJC-RYUDHWBXSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599147912 567807988 /nfs/dbraw/zinc/80/79/88/567807988.db2.gz SZQZHORJQNZCJC-NWDGAFQWSA-N 1 1 384.274 3.208 20 5 GGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000047675773 570214203 /nfs/dbraw/zinc/21/42/03/570214203.db2.gz VMYWFMXVNVCACN-UHFFFAOYSA-N 1 1 385.468 3.117 20 5 GGBDMO COc1ccc(OC2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000048272434 570225547 /nfs/dbraw/zinc/22/55/47/570225547.db2.gz ADKVVKNJEIVGJN-UHFFFAOYSA-N 1 1 382.420 3.454 20 5 GGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000048287879 570227905 /nfs/dbraw/zinc/22/79/05/570227905.db2.gz ZUULCQXJNUKYGL-ZDUSSCGKSA-N 1 1 394.387 3.481 20 5 GGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000048287879 570227910 /nfs/dbraw/zinc/22/79/10/570227910.db2.gz ZUULCQXJNUKYGL-ZDUSSCGKSA-N 1 1 394.387 3.481 20 5 GGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000054620089 570984787 /nfs/dbraw/zinc/98/47/87/570984787.db2.gz CMIHUDSKZGXANO-MRXNPFEDSA-N 1 1 388.471 3.112 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)o2)cc1 ZINC000738361209 598315744 /nfs/dbraw/zinc/31/57/44/598315744.db2.gz WNAXBSNZHADQAW-UHFFFAOYSA-N 1 1 394.366 3.464 20 5 GGBDMO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821104487 606314905 /nfs/dbraw/zinc/31/49/05/606314905.db2.gz FVWHMRFYWFYMCH-UHFFFAOYSA-N 1 1 393.407 3.328 20 5 GGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000823647936 607176777 /nfs/dbraw/zinc/17/67/77/607176777.db2.gz QIXRSOKRUYWWGH-UHFFFAOYSA-N 1 1 394.435 3.208 20 5 GGBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)c1ccc(F)cc1 ZINC000053088290 1406286173 /nfs/dbraw/zinc/28/61/73/1406286173.db2.gz PTFJODVAFBIEBB-LBPRGKRZSA-N 1 1 389.383 3.484 20 5 GGBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)c1ccc(F)cc1 ZINC000053088290 1406286183 /nfs/dbraw/zinc/28/61/83/1406286183.db2.gz PTFJODVAFBIEBB-LBPRGKRZSA-N 1 1 389.383 3.484 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000053233886 1406337377 /nfs/dbraw/zinc/33/73/77/1406337377.db2.gz VREBHNUHJDBLKK-FPOVZHCZSA-N 1 1 386.448 3.016 20 5 GGBDMO C[N@H+](Cc1ccccc1N1CCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053419984 1406390650 /nfs/dbraw/zinc/39/06/50/1406390650.db2.gz XVRHFXCTNBOYEK-IBGZPJMESA-N 1 1 385.464 3.067 20 5 GGBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000053666621 1406471986 /nfs/dbraw/zinc/47/19/86/1406471986.db2.gz OQSXIPUKUVXGQM-UHFFFAOYSA-N 1 1 394.475 3.170 20 5 GGBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000053686659 1406479023 /nfs/dbraw/zinc/47/90/23/1406479023.db2.gz RVGPDODPAZUBFQ-RDJZCZTQSA-N 1 1 389.477 3.017 20 5 GGBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000053686659 1406479029 /nfs/dbraw/zinc/47/90/29/1406479029.db2.gz RVGPDODPAZUBFQ-RDJZCZTQSA-N 1 1 389.477 3.017 20 5 GGBDMO COc1ccccc1OCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000053710095 1406484264 /nfs/dbraw/zinc/48/42/64/1406484264.db2.gz IRTLSZKNLCYQFV-OAHLLOKOSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccccc1OCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000053710095 1406484268 /nfs/dbraw/zinc/48/42/68/1406484268.db2.gz IRTLSZKNLCYQFV-OAHLLOKOSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+](C)CCCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000053720719 1406489315 /nfs/dbraw/zinc/48/93/15/1406489315.db2.gz FFFNSNQGNUGULF-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+](C)CCCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000053720719 1406489329 /nfs/dbraw/zinc/48/93/29/1406489329.db2.gz FFFNSNQGNUGULF-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](CCc2ccccc2)CC1 ZINC000053778342 1406510113 /nfs/dbraw/zinc/51/01/13/1406510113.db2.gz KJFKWWULSHLDBP-UHFFFAOYSA-N 1 1 378.432 3.077 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053811650 1406520621 /nfs/dbraw/zinc/52/06/21/1406520621.db2.gz CSQLSDOJIHLCLO-INIZCTEOSA-N 1 1 399.495 3.380 20 5 GGBDMO C[N@@H+](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000054281606 1406677661 /nfs/dbraw/zinc/67/76/61/1406677661.db2.gz FXLAEORTSNIRNP-UHFFFAOYSA-N 1 1 396.491 3.059 20 5 GGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000054287628 1406681602 /nfs/dbraw/zinc/68/16/02/1406681602.db2.gz UTESHZKBDFREEH-OAHLLOKOSA-N 1 1 385.468 3.021 20 5 GGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000054287629 1406682061 /nfs/dbraw/zinc/68/20/61/1406682061.db2.gz UTESHZKBDFREEH-HNNXBMFYSA-N 1 1 385.468 3.021 20 5 GGBDMO CC(=O)Nc1cccc2c1CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000054389935 1406714629 /nfs/dbraw/zinc/71/46/29/1406714629.db2.gz ZBZRVALYZPBZTB-UHFFFAOYSA-N 1 1 396.447 3.249 20 5 GGBDMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000054521452 1406762113 /nfs/dbraw/zinc/76/21/13/1406762113.db2.gz BHMGVXPRRIAZLL-CYBMUJFWSA-N 1 1 390.465 3.068 20 5 GGBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000054521452 1406762120 /nfs/dbraw/zinc/76/21/20/1406762120.db2.gz BHMGVXPRRIAZLL-CYBMUJFWSA-N 1 1 390.465 3.068 20 5 GGBDMO C[N@H+]1CCCN(c2ccc(NC(=O)CCOc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000055417818 1406955842 /nfs/dbraw/zinc/95/58/42/1406955842.db2.gz CAMIOKVZKXIIPA-UHFFFAOYSA-N 1 1 398.463 3.144 20 5 GGBDMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000007419697 1398671723 /nfs/dbraw/zinc/67/17/23/1398671723.db2.gz QBYMLUYCIAAVQX-CQSZACIVSA-N 1 1 387.436 3.461 20 5 GGBDMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000007419697 1398671732 /nfs/dbraw/zinc/67/17/32/1398671732.db2.gz QBYMLUYCIAAVQX-CQSZACIVSA-N 1 1 387.436 3.461 20 5 GGBDMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000007419695 1398671838 /nfs/dbraw/zinc/67/18/38/1398671838.db2.gz QBYMLUYCIAAVQX-AWEZNQCLSA-N 1 1 387.436 3.461 20 5 GGBDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000007419695 1398671850 /nfs/dbraw/zinc/67/18/50/1398671850.db2.gz QBYMLUYCIAAVQX-AWEZNQCLSA-N 1 1 387.436 3.461 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000007671205 1398725691 /nfs/dbraw/zinc/72/56/91/1398725691.db2.gz ZCNGOKLFHVYXLI-INIZCTEOSA-N 1 1 377.828 3.290 20 5 GGBDMO CS(=O)(=O)c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000007980150 1398785467 /nfs/dbraw/zinc/78/54/67/1398785467.db2.gz QEZOIQVTIURMLL-LJQANCHMSA-N 1 1 389.477 3.247 20 5 GGBDMO O=C(Nc1ccccc1)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000008004305 1398789419 /nfs/dbraw/zinc/78/94/19/1398789419.db2.gz BHTTVAIGHMEKTE-UHFFFAOYSA-N 1 1 397.431 3.312 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000008019920 1398792521 /nfs/dbraw/zinc/79/25/21/1398792521.db2.gz BVLAZOKHBWEBOX-IBGZPJMESA-N 1 1 398.463 3.210 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008169804 1398810232 /nfs/dbraw/zinc/81/02/32/1398810232.db2.gz JKNAJAQDXFXPEJ-QGZVFWFLSA-N 1 1 388.512 3.192 20 5 GGBDMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000008377029 1398827619 /nfs/dbraw/zinc/82/76/19/1398827619.db2.gz CGHOCSZAFTYXAH-CQSZACIVSA-N 1 1 387.436 3.461 20 5 GGBDMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000008377029 1398827620 /nfs/dbraw/zinc/82/76/20/1398827620.db2.gz CGHOCSZAFTYXAH-CQSZACIVSA-N 1 1 387.436 3.461 20 5 GGBDMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000008377020 1398827719 /nfs/dbraw/zinc/82/77/19/1398827719.db2.gz CGHOCSZAFTYXAH-AWEZNQCLSA-N 1 1 387.436 3.461 20 5 GGBDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000008377020 1398827727 /nfs/dbraw/zinc/82/77/27/1398827727.db2.gz CGHOCSZAFTYXAH-AWEZNQCLSA-N 1 1 387.436 3.461 20 5 GGBDMO C[N@@H+](CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000009919867 1398870740 /nfs/dbraw/zinc/87/07/40/1398870740.db2.gz YVUCARPPTKPBLS-UHFFFAOYSA-N 1 1 396.491 3.447 20 5 GGBDMO COc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000010448526 1398893429 /nfs/dbraw/zinc/89/34/29/1398893429.db2.gz LFIGDGNGELZARC-INIZCTEOSA-N 1 1 377.828 3.290 20 5 GGBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)c(OC)c1 ZINC000011367067 1398974390 /nfs/dbraw/zinc/97/43/90/1398974390.db2.gz MDXSGUKCBLXQAU-UHFFFAOYSA-N 1 1 387.436 3.097 20 5 GGBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)c(OC)c1 ZINC000011367067 1398974395 /nfs/dbraw/zinc/97/43/95/1398974395.db2.gz MDXSGUKCBLXQAU-UHFFFAOYSA-N 1 1 387.436 3.097 20 5 GGBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c2nonc21 ZINC000011380767 1398975300 /nfs/dbraw/zinc/97/53/00/1398975300.db2.gz OQTFIUYCRBQQHL-UHFFFAOYSA-N 1 1 387.827 3.497 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000015049103 1399135194 /nfs/dbraw/zinc/13/51/94/1399135194.db2.gz RACVIJLNWPGDDQ-UHFFFAOYSA-N 1 1 393.827 3.206 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000015049103 1399135203 /nfs/dbraw/zinc/13/52/03/1399135203.db2.gz RACVIJLNWPGDDQ-UHFFFAOYSA-N 1 1 393.827 3.206 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1C ZINC000015099912 1399139373 /nfs/dbraw/zinc/13/93/73/1399139373.db2.gz OAEOUBVEXZTEDJ-OAHLLOKOSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1C ZINC000015099912 1399139375 /nfs/dbraw/zinc/13/93/75/1399139375.db2.gz OAEOUBVEXZTEDJ-OAHLLOKOSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000015101683 1399139515 /nfs/dbraw/zinc/13/95/15/1399139515.db2.gz YNQLFAORUCQMNT-ZDUSSCGKSA-N 1 1 391.399 3.080 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000015101683 1399139521 /nfs/dbraw/zinc/13/95/21/1399139521.db2.gz YNQLFAORUCQMNT-ZDUSSCGKSA-N 1 1 391.399 3.080 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015507831 1399167861 /nfs/dbraw/zinc/16/78/61/1399167861.db2.gz JKXKCSVJEHHURD-OAHLLOKOSA-N 1 1 396.447 3.273 20 5 GGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000015593520 1399175480 /nfs/dbraw/zinc/17/54/80/1399175480.db2.gz PIBKGSCCPOTTTH-SFHVURJKSA-N 1 1 380.448 3.173 20 5 GGBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000015593519 1399175595 /nfs/dbraw/zinc/17/55/95/1399175595.db2.gz PIBKGSCCPOTTTH-GOSISDBHSA-N 1 1 380.448 3.173 20 5 GGBDMO COc1ccccc1[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000015690641 1399184754 /nfs/dbraw/zinc/18/47/54/1399184754.db2.gz VYGKCGRUCLMDHI-QGZVFWFLSA-N 1 1 389.477 3.115 20 5 GGBDMO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000016088172 1399208728 /nfs/dbraw/zinc/20/87/28/1399208728.db2.gz LOCPSUPXMDXWHX-LJQANCHMSA-N 1 1 391.493 3.047 20 5 GGBDMO Cc1ccc2c(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(=O)oc2c1 ZINC000016564532 1399249927 /nfs/dbraw/zinc/24/99/27/1399249927.db2.gz JHEFDICYMGOLGT-UHFFFAOYSA-N 1 1 379.416 3.332 20 5 GGBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000020935907 1399358386 /nfs/dbraw/zinc/35/83/86/1399358386.db2.gz KXFINDSATINSRH-SFHVURJKSA-N 1 1 386.452 3.211 20 5 GGBDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)c1 ZINC000021926434 1399424498 /nfs/dbraw/zinc/42/44/98/1399424498.db2.gz JDHOKYGDCFPPGE-UHFFFAOYSA-N 1 1 394.475 3.436 20 5 GGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000055642890 1407038600 /nfs/dbraw/zinc/03/86/00/1407038600.db2.gz SUEXPMWONCDBEK-UHFFFAOYSA-N 1 1 391.518 3.135 20 5 GGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000023736881 1399581315 /nfs/dbraw/zinc/58/13/15/1399581315.db2.gz MUCYHDKSWKNVCJ-UHFFFAOYSA-N 1 1 393.509 3.082 20 5 GGBDMO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(Cc3ccccc3)CC2)c2ncccc12 ZINC000024058290 1399599178 /nfs/dbraw/zinc/59/91/78/1399599178.db2.gz JNGZGMWVNJRDCP-UHFFFAOYSA-N 1 1 391.475 3.373 20 5 GGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000024621858 1399649606 /nfs/dbraw/zinc/64/96/06/1399649606.db2.gz VWIREFVWWYFYJS-QGZVFWFLSA-N 1 1 399.516 3.462 20 5 GGBDMO COc1cc(C)c(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000024805156 1399674125 /nfs/dbraw/zinc/67/41/25/1399674125.db2.gz DBIAIBQATKYPEM-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025049330 1399725533 /nfs/dbraw/zinc/72/55/33/1399725533.db2.gz MVOIMZVTPQXKPK-HNNXBMFYSA-N 1 1 389.477 3.099 20 5 GGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000025499726 1399813729 /nfs/dbraw/zinc/81/37/29/1399813729.db2.gz NLMKSSYEBGXHHW-MRXNPFEDSA-N 1 1 395.381 3.445 20 5 GGBDMO CSc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025630355 1399824524 /nfs/dbraw/zinc/82/45/24/1399824524.db2.gz GPEDIUAGVLFODP-CQSZACIVSA-N 1 1 385.489 3.493 20 5 GGBDMO CC(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000025917290 1399846169 /nfs/dbraw/zinc/84/61/69/1399846169.db2.gz NHYZLHUNCNIQLX-OAQYLSRUSA-N 1 1 381.476 3.336 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[N@@H+](Cc4ccccc4)CC3)n2)c1 ZINC000025934258 1399848162 /nfs/dbraw/zinc/84/81/62/1399848162.db2.gz QYVJECSRQJHACY-UHFFFAOYSA-N 1 1 393.447 3.353 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000026160586 1399865048 /nfs/dbraw/zinc/86/50/48/1399865048.db2.gz QMZGHVGBOKLKMC-UHFFFAOYSA-N 1 1 386.427 3.193 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(Cc2cccs2)CC1 ZINC000026257095 1399874223 /nfs/dbraw/zinc/87/42/23/1399874223.db2.gz TZMBRLHAZQTUQN-UHFFFAOYSA-N 1 1 388.493 3.111 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000026336794 1399879011 /nfs/dbraw/zinc/87/90/11/1399879011.db2.gz OFLMIBBNJINFFX-UHFFFAOYSA-N 1 1 375.400 3.382 20 5 GGBDMO Cc1cc(OCC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000026332642 1399879078 /nfs/dbraw/zinc/87/90/78/1399879078.db2.gz KGLUXQNBFQRCQU-UHFFFAOYSA-N 1 1 383.448 3.017 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCOc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000026337239 1399879543 /nfs/dbraw/zinc/87/95/43/1399879543.db2.gz UGBSDAOPQQTEQQ-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCOc1cccc(C)c1 ZINC000026337236 1399879621 /nfs/dbraw/zinc/87/96/21/1399879621.db2.gz AKGIWJWQKFCULN-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c(C)c1 ZINC000026643729 1399913893 /nfs/dbraw/zinc/91/38/93/1399913893.db2.gz BWDDZYXLZNGPBX-UHFFFAOYSA-N 1 1 395.459 3.405 20 5 GGBDMO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712806 1399924931 /nfs/dbraw/zinc/92/49/31/1399924931.db2.gz HGGFPNXVXJSDCU-HNNXBMFYSA-N 1 1 382.363 3.068 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000027346515 1400022819 /nfs/dbraw/zinc/02/28/19/1400022819.db2.gz KBQWSTYPIQXXIF-INIZCTEOSA-N 1 1 377.828 3.046 20 5 GGBDMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027357097 1400025046 /nfs/dbraw/zinc/02/50/46/1400025046.db2.gz YTDBURNBGJRLOL-LJQANCHMSA-N 1 1 381.432 3.330 20 5 GGBDMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027357097 1400025052 /nfs/dbraw/zinc/02/50/52/1400025052.db2.gz YTDBURNBGJRLOL-LJQANCHMSA-N 1 1 381.432 3.330 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027569492 1400057980 /nfs/dbraw/zinc/05/79/80/1400057980.db2.gz RGDHBRYCFRRZTI-MRXNPFEDSA-N 1 1 396.447 3.192 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027569492 1400057986 /nfs/dbraw/zinc/05/79/86/1400057986.db2.gz RGDHBRYCFRRZTI-MRXNPFEDSA-N 1 1 396.447 3.192 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000027681477 1400076305 /nfs/dbraw/zinc/07/63/05/1400076305.db2.gz AQNXOBNHXKKUID-CQSZACIVSA-N 1 1 375.400 3.380 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000027681477 1400076315 /nfs/dbraw/zinc/07/63/15/1400076315.db2.gz AQNXOBNHXKKUID-CQSZACIVSA-N 1 1 375.400 3.380 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000027698525 1400079313 /nfs/dbraw/zinc/07/93/13/1400079313.db2.gz SQQKBDUJZBKQOL-AWEZNQCLSA-N 1 1 375.400 3.380 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000027698525 1400079325 /nfs/dbraw/zinc/07/93/25/1400079325.db2.gz SQQKBDUJZBKQOL-AWEZNQCLSA-N 1 1 375.400 3.380 20 5 GGBDMO O=C(c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1)N1CCCC1 ZINC000028707590 1400188273 /nfs/dbraw/zinc/18/82/73/1400188273.db2.gz QXKUUOAXQQYKAW-UHFFFAOYSA-N 1 1 394.475 3.153 20 5 GGBDMO O=C(c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1)N1CCCC1 ZINC000028707849 1400188327 /nfs/dbraw/zinc/18/83/27/1400188327.db2.gz NXYNCUICZOYRSF-UHFFFAOYSA-N 1 1 394.475 3.153 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1Cl ZINC000029051842 1400230652 /nfs/dbraw/zinc/23/06/52/1400230652.db2.gz VLEPYOQWBOWXPB-MRXNPFEDSA-N 1 1 387.827 3.157 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029536824 1400311926 /nfs/dbraw/zinc/31/19/26/1400311926.db2.gz AKPHICOMPQWDSB-IBGZPJMESA-N 1 1 385.420 3.006 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029536824 1400311930 /nfs/dbraw/zinc/31/19/30/1400311930.db2.gz AKPHICOMPQWDSB-IBGZPJMESA-N 1 1 385.420 3.006 20 5 GGBDMO CSc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000029837720 1400360261 /nfs/dbraw/zinc/36/02/61/1400360261.db2.gz WVBOBGCYNKLVSX-UHFFFAOYSA-N 1 1 385.489 3.495 20 5 GGBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1cccc(Cl)c1 ZINC000029863331 1400367960 /nfs/dbraw/zinc/36/79/60/1400367960.db2.gz WRXABVDXTDNYIZ-UHFFFAOYSA-N 1 1 390.827 3.147 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1cccc(Cl)c1 ZINC000029863331 1400367964 /nfs/dbraw/zinc/36/79/64/1400367964.db2.gz WRXABVDXTDNYIZ-UHFFFAOYSA-N 1 1 390.827 3.147 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000029871682 1400369473 /nfs/dbraw/zinc/36/94/73/1400369473.db2.gz XPJHTQTZPVPTSQ-UHFFFAOYSA-N 1 1 396.491 3.174 20 5 GGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCOCC1 ZINC000055899971 1407124720 /nfs/dbraw/zinc/12/47/20/1407124720.db2.gz MXNKVANLTJBEOT-UHFFFAOYSA-N 1 1 385.464 3.332 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055908850 1407130209 /nfs/dbraw/zinc/13/02/09/1407130209.db2.gz XYNPVBMCKWFJLT-MRXNPFEDSA-N 1 1 387.411 3.388 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055908850 1407130216 /nfs/dbraw/zinc/13/02/16/1407130216.db2.gz XYNPVBMCKWFJLT-MRXNPFEDSA-N 1 1 387.411 3.388 20 5 GGBDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000056039384 1407178511 /nfs/dbraw/zinc/17/85/11/1407178511.db2.gz XIXJCDOOILHZLC-UHFFFAOYSA-N 1 1 389.839 3.375 20 5 GGBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000056129764 1407216890 /nfs/dbraw/zinc/21/68/90/1407216890.db2.gz GHWFVJSYGMVTNR-UHFFFAOYSA-N 1 1 395.525 3.013 20 5 GGBDMO C[C@@H](NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056382871 1407316473 /nfs/dbraw/zinc/31/64/73/1407316473.db2.gz VLKFQUKAQOYHPE-JKSUJKDBSA-N 1 1 382.464 3.402 20 5 GGBDMO CCC(CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+]1CCOCC1 ZINC000043149445 1403720416 /nfs/dbraw/zinc/72/04/16/1403720416.db2.gz SFKCVNSCDYINBA-SFHVURJKSA-N 1 1 378.473 3.162 20 5 GGBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000043342505 1403750709 /nfs/dbraw/zinc/75/07/09/1403750709.db2.gz RNOFFUNYZNMXDE-VXGBXAGGSA-N 1 1 384.864 3.258 20 5 GGBDMO CCC(CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+]1CCOCC1 ZINC000043347296 1403751809 /nfs/dbraw/zinc/75/18/09/1403751809.db2.gz SAEOQKINIQGMNH-SFHVURJKSA-N 1 1 378.473 3.162 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000056545993 1407356578 /nfs/dbraw/zinc/35/65/78/1407356578.db2.gz ORZVVTBGQDHYCD-UHFFFAOYSA-N 1 1 386.799 3.459 20 5 GGBDMO C[N@H+](Cc1ccccc1C(F)(F)F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000043644405 1403795725 /nfs/dbraw/zinc/79/57/25/1403795725.db2.gz QOHXWKZMSHOWPK-HNNXBMFYSA-N 1 1 384.354 3.485 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000044637854 1403971114 /nfs/dbraw/zinc/97/11/14/1403971114.db2.gz SXEPMQORFFPZQZ-HOTGVXAUSA-N 1 1 383.448 3.134 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000044638371 1403971655 /nfs/dbraw/zinc/97/16/55/1403971655.db2.gz PRTJGDRWTIOEDB-ZIAGYGMSSA-N 1 1 389.477 3.196 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000045033970 1404040784 /nfs/dbraw/zinc/04/07/84/1404040784.db2.gz YFPANUJOHILKGI-UHFFFAOYSA-N 1 1 375.450 3.013 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000045033970 1404040795 /nfs/dbraw/zinc/04/07/95/1404040795.db2.gz YFPANUJOHILKGI-UHFFFAOYSA-N 1 1 375.450 3.013 20 5 GGBDMO CC[NH+](CC)Cc1ccccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045296471 1404092971 /nfs/dbraw/zinc/09/29/71/1404092971.db2.gz DJUHQVDKHSEWLI-UHFFFAOYSA-N 1 1 381.436 3.243 20 5 GGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000045457888 1404125455 /nfs/dbraw/zinc/12/54/55/1404125455.db2.gz FBCHGFHSBKHSLF-FQEVSTJZSA-N 1 1 382.464 3.111 20 5 GGBDMO CCOc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000045498857 1404133032 /nfs/dbraw/zinc/13/30/32/1404133032.db2.gz YMNUWGUYVZACBF-OAHLLOKOSA-N 1 1 383.448 3.170 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000045528237 1404139331 /nfs/dbraw/zinc/13/93/31/1404139331.db2.gz OYCXEZJSFNVOHV-IBGZPJMESA-N 1 1 382.464 3.178 20 5 GGBDMO Cc1ccccc1CN1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000045799584 1404207877 /nfs/dbraw/zinc/20/78/77/1404207877.db2.gz BGXHYCHQPMTMEP-UHFFFAOYSA-N 1 1 382.464 3.050 20 5 GGBDMO CCN1CC[NH+](Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000046120901 1404303986 /nfs/dbraw/zinc/30/39/86/1404303986.db2.gz PPEOPODJGWBFEJ-UHFFFAOYSA-N 1 1 397.479 3.054 20 5 GGBDMO COc1ccc(CSCC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000046593679 1404496545 /nfs/dbraw/zinc/49/65/45/1404496545.db2.gz XELRVPIULGBMMG-CABCVRRESA-N 1 1 395.525 3.216 20 5 GGBDMO CCOc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000046991508 1404665115 /nfs/dbraw/zinc/66/51/15/1404665115.db2.gz QJPUJZSHPTWXFX-OAHLLOKOSA-N 1 1 393.484 3.244 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000046991584 1404665723 /nfs/dbraw/zinc/66/57/23/1404665723.db2.gz GGOKRXBCDXOFQZ-OAHLLOKOSA-N 1 1 393.484 3.244 20 5 GGBDMO CCOC(=O)c1cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000047214906 1404750365 /nfs/dbraw/zinc/75/03/65/1404750365.db2.gz GGDAVDDEBHTDNS-HNNXBMFYSA-N 1 1 391.468 3.156 20 5 GGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000047214087 1404750385 /nfs/dbraw/zinc/75/03/85/1404750385.db2.gz DVYBEKQKFPDIAF-QGZVFWFLSA-N 1 1 388.512 3.437 20 5 GGBDMO CCOC(=O)c1cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000047214910 1404750482 /nfs/dbraw/zinc/75/04/82/1404750482.db2.gz GGDAVDDEBHTDNS-OAHLLOKOSA-N 1 1 391.468 3.156 20 5 GGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)cn1 ZINC000047266043 1404776261 /nfs/dbraw/zinc/77/62/61/1404776261.db2.gz GVMQZQJGVXCIBB-UHFFFAOYSA-N 1 1 396.369 3.253 20 5 GGBDMO Cc1cccc(C[NH+]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)c1 ZINC000048313683 1405141758 /nfs/dbraw/zinc/14/17/58/1405141758.db2.gz XIUHCHUZXCEMEQ-UHFFFAOYSA-N 1 1 378.432 3.343 20 5 GGBDMO Cc1c(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000048358448 1405159800 /nfs/dbraw/zinc/15/98/00/1405159800.db2.gz QYYXEDNCMYUPBX-HOTGVXAUSA-N 1 1 397.475 3.442 20 5 GGBDMO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000048358444 1405160666 /nfs/dbraw/zinc/16/06/66/1405160666.db2.gz QYYXEDNCMYUPBX-IYBDPMFKSA-N 1 1 397.475 3.442 20 5 GGBDMO Cc1c(C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000048358444 1405160681 /nfs/dbraw/zinc/16/06/81/1405160681.db2.gz QYYXEDNCMYUPBX-IYBDPMFKSA-N 1 1 397.475 3.442 20 5 GGBDMO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000048361071 1405163601 /nfs/dbraw/zinc/16/36/01/1405163601.db2.gz UQCNMYBGMQDZIW-IAGOWNOFSA-N 1 1 397.475 3.442 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000048361271 1405163689 /nfs/dbraw/zinc/16/36/89/1405163689.db2.gz QEFBCVXTUNTDRB-CALCHBBNSA-N 1 1 397.475 3.063 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000048361271 1405163698 /nfs/dbraw/zinc/16/36/98/1405163698.db2.gz QEFBCVXTUNTDRB-CALCHBBNSA-N 1 1 397.475 3.063 20 5 GGBDMO CC(C)[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+]1CCOCC1 ZINC000049636141 1405389117 /nfs/dbraw/zinc/38/91/17/1405389117.db2.gz AATUUOVKWINSQU-OAQYLSRUSA-N 1 1 377.488 3.475 20 5 GGBDMO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000049789677 1405416367 /nfs/dbraw/zinc/41/63/67/1405416367.db2.gz NZPFCEKBBDUTGE-GOSISDBHSA-N 1 1 386.452 3.048 20 5 GGBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050029942 1405457772 /nfs/dbraw/zinc/45/77/72/1405457772.db2.gz YTVRBDCWAPVYFY-GOSISDBHSA-N 1 1 382.464 3.035 20 5 GGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000051321916 1405786119 /nfs/dbraw/zinc/78/61/19/1405786119.db2.gz DZMIUDILGBZSPR-UHFFFAOYSA-N 1 1 384.436 3.056 20 5 GGBDMO C[NH+]1CCN(C(=O)c2ccc(CNc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000052241584 1405999206 /nfs/dbraw/zinc/99/92/06/1405999206.db2.gz FMKIQZGITHLSEI-UHFFFAOYSA-N 1 1 388.855 3.248 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cn1 ZINC000052510448 1406069855 /nfs/dbraw/zinc/06/98/55/1406069855.db2.gz BIKCEUHSHZGYBL-UHFFFAOYSA-N 1 1 394.435 3.234 20 5 GGBDMO CN(C(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000052866185 1406206251 /nfs/dbraw/zinc/20/62/51/1406206251.db2.gz BWBQTUYZLCFHIY-HXUWFJFHSA-N 1 1 383.448 3.239 20 5 GGBDMO CN(C(=O)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000052866185 1406206263 /nfs/dbraw/zinc/20/62/63/1406206263.db2.gz BWBQTUYZLCFHIY-HXUWFJFHSA-N 1 1 383.448 3.239 20 5 GGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000057177726 1407547377 /nfs/dbraw/zinc/54/73/77/1407547377.db2.gz FFTMWKAHKUXFFV-UHFFFAOYSA-N 1 1 399.495 3.332 20 5 GGBDMO C[C@H](Nc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057554829 1407647704 /nfs/dbraw/zinc/64/77/04/1407647704.db2.gz ZRJJOYQMYAAXKO-GOEBONIOSA-N 1 1 395.463 3.129 20 5 GGBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000057553377 1407648319 /nfs/dbraw/zinc/64/83/19/1407648319.db2.gz UYUBMOXTSOEPEE-HLLBOEOZSA-N 1 1 386.496 3.044 20 5 GGBDMO C[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057715344 1407698606 /nfs/dbraw/zinc/69/86/06/1407698606.db2.gz BJQYDGFGHHRVMG-NSHDSACASA-N 1 1 388.390 3.015 20 5 GGBDMO C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000057843765 1407736154 /nfs/dbraw/zinc/73/61/54/1407736154.db2.gz OFRFECLCPNDRHN-UHFFFAOYSA-N 1 1 396.491 3.377 20 5 GGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000058297247 1407808463 /nfs/dbraw/zinc/80/84/63/1407808463.db2.gz KQVCVMWEBPURHO-MRXNPFEDSA-N 1 1 385.468 3.022 20 5 GGBDMO C[N@H+]1CCCN(CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000058434999 1407827527 /nfs/dbraw/zinc/82/75/27/1407827527.db2.gz VXCIOHRBUBKHMP-UHFFFAOYSA-N 1 1 396.491 3.265 20 5 GGBDMO COc1cc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1SC ZINC000058528843 1407840970 /nfs/dbraw/zinc/84/09/70/1407840970.db2.gz OZLPRRARHLDFLZ-INIZCTEOSA-N 1 1 392.477 3.197 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1C ZINC000060569531 1408004285 /nfs/dbraw/zinc/00/42/85/1408004285.db2.gz QSKNUPZFTYNKFI-UHFFFAOYSA-N 1 1 395.525 3.098 20 5 GGBDMO Cc1ccc([C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000060920488 1408051534 /nfs/dbraw/zinc/05/15/34/1408051534.db2.gz STFABECGLYRINN-GOSISDBHSA-N 1 1 389.477 3.019 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000061028926 1408068096 /nfs/dbraw/zinc/06/80/96/1408068096.db2.gz XQAZFOFFGMYSMB-UHFFFAOYSA-N 1 1 389.477 3.059 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285194 1408100694 /nfs/dbraw/zinc/10/06/94/1408100694.db2.gz JAESEESWGKJXRE-UHFFFAOYSA-N 1 1 387.461 3.405 20 5 GGBDMO CCOCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000061309923 1408105955 /nfs/dbraw/zinc/10/59/55/1408105955.db2.gz OFTSWJXVCAZGSJ-UHFFFAOYSA-N 1 1 375.494 3.477 20 5 GGBDMO CCOCC[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000061309923 1408105967 /nfs/dbraw/zinc/10/59/67/1408105967.db2.gz OFTSWJXVCAZGSJ-UHFFFAOYSA-N 1 1 375.494 3.477 20 5 GGBDMO O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788009 1408176139 /nfs/dbraw/zinc/17/61/39/1408176139.db2.gz ONFWRWLELWBOSW-UHFFFAOYSA-N 1 1 386.477 3.465 20 5 GGBDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000176393739 1428296974 /nfs/dbraw/zinc/29/69/74/1428296974.db2.gz ZDRYNRZJNGGPBB-IYBDPMFKSA-N 1 1 390.484 3.338 20 5 GGBDMO Cc1cccc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000062290979 1408231770 /nfs/dbraw/zinc/23/17/70/1408231770.db2.gz PHFQQTUXEIEJHO-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1cccc(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000062290979 1408231781 /nfs/dbraw/zinc/23/17/81/1408231781.db2.gz PHFQQTUXEIEJHO-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)CC(F)(F)F ZINC000176414873 1428311333 /nfs/dbraw/zinc/31/13/33/1428311333.db2.gz DRDMTUWGMPYSIC-AWEZNQCLSA-N 1 1 375.391 3.180 20 5 GGBDMO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000063518747 1408366097 /nfs/dbraw/zinc/36/60/97/1408366097.db2.gz AISHVPCJDFHKMD-MRXNPFEDSA-N 1 1 397.884 3.138 20 5 GGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063582215 1408374169 /nfs/dbraw/zinc/37/41/69/1408374169.db2.gz VNBZWKYGQXSIIT-UHFFFAOYSA-N 1 1 385.468 3.117 20 5 GGBDMO C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000064113296 1408485645 /nfs/dbraw/zinc/48/56/45/1408485645.db2.gz HCTNUMUMUXIKEV-HUUCEWRRSA-N 1 1 385.468 3.234 20 5 GGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(CCn3cccn3)CC2)s1 ZINC000064141967 1408494227 /nfs/dbraw/zinc/49/42/27/1408494227.db2.gz UCNXZALKZJBEKI-UHFFFAOYSA-N 1 1 397.504 3.338 20 5 GGBDMO COC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350343 1408538127 /nfs/dbraw/zinc/53/81/27/1408538127.db2.gz PNYDIPATELYUIL-UHFFFAOYSA-N 1 1 385.420 3.231 20 5 GGBDMO COC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350343 1408538131 /nfs/dbraw/zinc/53/81/31/1408538131.db2.gz PNYDIPATELYUIL-UHFFFAOYSA-N 1 1 385.420 3.231 20 5 GGBDMO CC(C)[N@H+](CC(=O)Nc1cccc2nsnc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350373 1408538626 /nfs/dbraw/zinc/53/86/26/1408538626.db2.gz SFFBYRUTRMSNPC-UHFFFAOYSA-N 1 1 385.449 3.449 20 5 GGBDMO CC(C)[N@@H+](CC(=O)Nc1cccc2nsnc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350373 1408538632 /nfs/dbraw/zinc/53/86/32/1408538632.db2.gz SFFBYRUTRMSNPC-UHFFFAOYSA-N 1 1 385.449 3.449 20 5 GGBDMO CC(C)[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350360 1408538687 /nfs/dbraw/zinc/53/86/87/1408538687.db2.gz DVERGKUGZJURFW-UHFFFAOYSA-N 1 1 398.463 3.146 20 5 GGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350360 1408538694 /nfs/dbraw/zinc/53/86/94/1408538694.db2.gz DVERGKUGZJURFW-UHFFFAOYSA-N 1 1 398.463 3.146 20 5 GGBDMO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(CCc3cccs3)CC2)cc1 ZINC000064352398 1408539061 /nfs/dbraw/zinc/53/90/61/1408539061.db2.gz CZZSFZQXLVIQDF-UHFFFAOYSA-N 1 1 375.494 3.286 20 5 GGBDMO Cc1ccc(C)c(OC2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000064631745 1408588425 /nfs/dbraw/zinc/58/84/25/1408588425.db2.gz CJEMQBIQJYOCRQ-UHFFFAOYSA-N 1 1 383.448 3.354 20 5 GGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000064724933 1408601715 /nfs/dbraw/zinc/60/17/15/1408601715.db2.gz OZESISZAVQTOHL-ZNMIVQPWSA-N 1 1 397.903 3.500 20 5 GGBDMO COc1cc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])cc1OC ZINC000064725617 1408601739 /nfs/dbraw/zinc/60/17/39/1408601739.db2.gz BCTQVJRZKYHVJH-ZNMIVQPWSA-N 1 1 391.468 3.089 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000064956777 1408631853 /nfs/dbraw/zinc/63/18/53/1408631853.db2.gz QFQSKNRHWDNSIQ-RDJZCZTQSA-N 1 1 389.477 3.017 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000064956777 1408631856 /nfs/dbraw/zinc/63/18/56/1408631856.db2.gz QFQSKNRHWDNSIQ-RDJZCZTQSA-N 1 1 389.477 3.017 20 5 GGBDMO CNC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000065202026 1408652144 /nfs/dbraw/zinc/65/21/44/1408652144.db2.gz VIOLJLLKSRJOIW-KRWDZBQOSA-N 1 1 382.464 3.279 20 5 GGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065511910 1408681886 /nfs/dbraw/zinc/68/18/86/1408681886.db2.gz CDKVWPLYSUTSGG-LJQANCHMSA-N 1 1 382.464 3.101 20 5 GGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000065532861 1408684916 /nfs/dbraw/zinc/68/49/16/1408684916.db2.gz UOUZVUDQSJRZCD-INIZCTEOSA-N 1 1 385.468 3.171 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000065881229 1408747503 /nfs/dbraw/zinc/74/75/03/1408747503.db2.gz JUPRHGSBWYXJPF-UHFFFAOYSA-N 1 1 393.447 3.162 20 5 GGBDMO CN(C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000066067903 1408780347 /nfs/dbraw/zinc/78/03/47/1408780347.db2.gz JDJFGPMJCOIIJR-UHFFFAOYSA-N 1 1 379.464 3.489 20 5 GGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2C1 ZINC000066514910 1408851497 /nfs/dbraw/zinc/85/14/97/1408851497.db2.gz VQEDOVDDTLUOPG-UHFFFAOYSA-N 1 1 392.419 3.153 20 5 GGBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2C1 ZINC000066514910 1408851498 /nfs/dbraw/zinc/85/14/98/1408851498.db2.gz VQEDOVDDTLUOPG-UHFFFAOYSA-N 1 1 392.419 3.153 20 5 GGBDMO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000066726298 1408894827 /nfs/dbraw/zinc/89/48/27/1408894827.db2.gz FTQFUYLCYZZYDW-UHFFFAOYSA-N 1 1 381.436 3.195 20 5 GGBDMO Cc1cc(N2CCC[C@@H](OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000066733124 1408896719 /nfs/dbraw/zinc/89/67/19/1408896719.db2.gz CSGNXWIOWWQDER-RUJXFNLJSA-N 1 1 382.420 3.227 20 5 GGBDMO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)nc(C)[nH+]1 ZINC000066816020 1408920680 /nfs/dbraw/zinc/92/06/80/1408920680.db2.gz WAGHBMLMLZUCNT-UHFFFAOYSA-N 1 1 381.358 3.347 20 5 GGBDMO COc1cc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])cc1O ZINC000066989661 1408973922 /nfs/dbraw/zinc/97/39/22/1408973922.db2.gz OKPFHQSXCZCXIJ-UHFFFAOYSA-N 1 1 394.811 3.414 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067053758 1408993462 /nfs/dbraw/zinc/99/34/62/1408993462.db2.gz NYBAZIUIFBJOBC-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067053758 1408993464 /nfs/dbraw/zinc/99/34/64/1408993464.db2.gz NYBAZIUIFBJOBC-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000067361172 1409084330 /nfs/dbraw/zinc/08/43/30/1409084330.db2.gz KRYPLIAHOLLOML-KRWDZBQOSA-N 1 1 383.448 3.245 20 5 GGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000067532490 1409148387 /nfs/dbraw/zinc/14/83/87/1409148387.db2.gz OBRCQAFYYVYLLT-CQSZACIVSA-N 1 1 396.447 3.136 20 5 GGBDMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000067532490 1409148393 /nfs/dbraw/zinc/14/83/93/1409148393.db2.gz OBRCQAFYYVYLLT-CQSZACIVSA-N 1 1 396.447 3.136 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000067556371 1409160344 /nfs/dbraw/zinc/16/03/44/1409160344.db2.gz WYLIZFFJICQDQS-MRXNPFEDSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000067556371 1409160349 /nfs/dbraw/zinc/16/03/49/1409160349.db2.gz WYLIZFFJICQDQS-MRXNPFEDSA-N 1 1 398.463 3.446 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000067785763 1409231466 /nfs/dbraw/zinc/23/14/66/1409231466.db2.gz PQNSYQNQLOVACV-QGZVFWFLSA-N 1 1 391.855 3.436 20 5 GGBDMO COc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067900552 1409252284 /nfs/dbraw/zinc/25/22/84/1409252284.db2.gz AQUZXYXBXPWRQB-KRWDZBQOSA-N 1 1 391.855 3.218 20 5 GGBDMO COc1ccc(CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000067906682 1409253710 /nfs/dbraw/zinc/25/37/10/1409253710.db2.gz CINQQZOVMZHUSZ-UHFFFAOYSA-N 1 1 397.475 3.189 20 5 GGBDMO COc1ccc(CC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000067907416 1409253781 /nfs/dbraw/zinc/25/37/81/1409253781.db2.gz OZMGCLUBADVIGB-UHFFFAOYSA-N 1 1 385.464 3.303 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000067962253 1409264594 /nfs/dbraw/zinc/26/45/94/1409264594.db2.gz NBCWCEIBQGYFCA-UHFFFAOYSA-N 1 1 396.491 3.440 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000067962253 1409264606 /nfs/dbraw/zinc/26/46/06/1409264606.db2.gz NBCWCEIBQGYFCA-UHFFFAOYSA-N 1 1 396.491 3.440 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000067962253 1409264616 /nfs/dbraw/zinc/26/46/16/1409264616.db2.gz NBCWCEIBQGYFCA-UHFFFAOYSA-N 1 1 396.491 3.440 20 5 GGBDMO Cc1c(NC(=O)CCN2CCC[N@@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000067962255 1409264793 /nfs/dbraw/zinc/26/47/93/1409264793.db2.gz FNARHVXPRZACFN-UHFFFAOYSA-N 1 1 396.491 3.440 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000067962255 1409264795 /nfs/dbraw/zinc/26/47/95/1409264795.db2.gz FNARHVXPRZACFN-UHFFFAOYSA-N 1 1 396.491 3.440 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000067962255 1409264798 /nfs/dbraw/zinc/26/47/98/1409264798.db2.gz FNARHVXPRZACFN-UHFFFAOYSA-N 1 1 396.491 3.440 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000067960994 1409264900 /nfs/dbraw/zinc/26/49/00/1409264900.db2.gz WVIHVFNOARDABY-INIZCTEOSA-N 1 1 385.420 3.004 20 5 GGBDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000068288158 1409353904 /nfs/dbraw/zinc/35/39/04/1409353904.db2.gz JFCWVQVPCFHYIG-CYBMUJFWSA-N 1 1 388.493 3.449 20 5 GGBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000068935714 1409529297 /nfs/dbraw/zinc/52/92/97/1409529297.db2.gz PUQGVKZHETYNAQ-KRWDZBQOSA-N 1 1 377.488 3.001 20 5 GGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000069047686 1409553261 /nfs/dbraw/zinc/55/32/61/1409553261.db2.gz POHNEYCAQMUNCK-CYBMUJFWSA-N 1 1 383.876 3.348 20 5 GGBDMO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069085214 1409560519 /nfs/dbraw/zinc/56/05/19/1409560519.db2.gz OWGDHVMXIJCNED-SFHVURJKSA-N 1 1 381.432 3.330 20 5 GGBDMO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069085214 1409560522 /nfs/dbraw/zinc/56/05/22/1409560522.db2.gz OWGDHVMXIJCNED-SFHVURJKSA-N 1 1 381.432 3.330 20 5 GGBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000070670890 1409748789 /nfs/dbraw/zinc/74/87/89/1409748789.db2.gz VAJVDFACFVYFHM-UHFFFAOYSA-N 1 1 381.860 3.013 20 5 GGBDMO CC[NH+](CC)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000071862623 1409828186 /nfs/dbraw/zinc/82/81/86/1409828186.db2.gz GDMUFMYPLFEXMK-SFHVURJKSA-N 1 1 381.436 3.284 20 5 GGBDMO COc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000072809262 1409853404 /nfs/dbraw/zinc/85/34/04/1409853404.db2.gz MJFJGMNTMFWYTJ-CVEARBPZSA-N 1 1 375.469 3.330 20 5 GGBDMO COc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000072810401 1409853425 /nfs/dbraw/zinc/85/34/25/1409853425.db2.gz GJWUNCHZJNMSOU-CVEARBPZSA-N 1 1 375.469 3.330 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000074319814 1409871506 /nfs/dbraw/zinc/87/15/06/1409871506.db2.gz DJJUXEKZVUJHDL-INIZCTEOSA-N 1 1 376.501 3.366 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000076750564 1409891588 /nfs/dbraw/zinc/89/15/88/1409891588.db2.gz ZKRZXQCTTWJENC-UHFFFAOYSA-N 1 1 375.469 3.074 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000077687073 1409899064 /nfs/dbraw/zinc/89/90/64/1409899064.db2.gz ZPKCLMYLBMTPKN-OAHLLOKOSA-N 1 1 375.469 3.074 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000080249407 1410003479 /nfs/dbraw/zinc/00/34/79/1410003479.db2.gz NRVQIQYXKRJVDA-UHFFFAOYSA-N 1 1 376.501 3.002 20 5 GGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000091458834 1410074206 /nfs/dbraw/zinc/07/42/06/1410074206.db2.gz XMGCQKTWYGEZEW-QLFBSQMISA-N 1 1 376.457 3.330 20 5 GGBDMO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000092188704 1410119283 /nfs/dbraw/zinc/11/92/83/1410119283.db2.gz DWWTUIVQKQINEP-CQSZACIVSA-N 1 1 386.477 3.313 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H]3CN3CCOCC3)cs2)c1 ZINC000092217853 1410120408 /nfs/dbraw/zinc/12/04/08/1410120408.db2.gz QCODSWHUWIDDSF-SFHVURJKSA-N 1 1 388.493 3.015 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H]3CN3CCOCC3)cs2)c1 ZINC000092217853 1410120417 /nfs/dbraw/zinc/12/04/17/1410120417.db2.gz QCODSWHUWIDDSF-SFHVURJKSA-N 1 1 388.493 3.015 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000092424560 1410156444 /nfs/dbraw/zinc/15/64/44/1410156444.db2.gz WRSFKKQWJBTAIF-IYBDPMFKSA-N 1 1 377.485 3.139 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000092456036 1410158803 /nfs/dbraw/zinc/15/88/03/1410158803.db2.gz SBSQIUIUZBFLCX-FQEVSTJZSA-N 1 1 378.432 3.404 20 5 GGBDMO Cn1cc(C[N@H+]2CCCN(c3nccs3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092482286 1410161162 /nfs/dbraw/zinc/16/11/62/1410161162.db2.gz MTKRJOMZDKWUKZ-UHFFFAOYSA-N 1 1 398.492 3.164 20 5 GGBDMO Cc1ccc(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000092512275 1410166072 /nfs/dbraw/zinc/16/60/72/1410166072.db2.gz GJCCNROJZNFXID-UHFFFAOYSA-N 1 1 392.477 3.208 20 5 GGBDMO Cc1ccc(C[N@@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000092512275 1410166078 /nfs/dbraw/zinc/16/60/78/1410166078.db2.gz GJCCNROJZNFXID-UHFFFAOYSA-N 1 1 392.477 3.208 20 5 GGBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000092535057 1410169104 /nfs/dbraw/zinc/16/91/04/1410169104.db2.gz RGVKMBIZNFDYLL-UHFFFAOYSA-N 1 1 385.439 3.319 20 5 GGBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000092535057 1410169112 /nfs/dbraw/zinc/16/91/12/1410169112.db2.gz RGVKMBIZNFDYLL-UHFFFAOYSA-N 1 1 385.439 3.319 20 5 GGBDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092710547 1410193734 /nfs/dbraw/zinc/19/37/34/1410193734.db2.gz VXDOAVNTLVIVOC-CYBMUJFWSA-N 1 1 385.411 3.325 20 5 GGBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092710547 1410193746 /nfs/dbraw/zinc/19/37/46/1410193746.db2.gz VXDOAVNTLVIVOC-CYBMUJFWSA-N 1 1 385.411 3.325 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000092764832 1410198882 /nfs/dbraw/zinc/19/88/82/1410198882.db2.gz TZCRAMHMUMGJFL-INIZCTEOSA-N 1 1 378.432 3.262 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000092764834 1410199354 /nfs/dbraw/zinc/19/93/54/1410199354.db2.gz TZCRAMHMUMGJFL-MRXNPFEDSA-N 1 1 378.432 3.262 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093106451 1410222495 /nfs/dbraw/zinc/22/24/95/1410222495.db2.gz GGNLMDSTWHHYPE-LBPRGKRZSA-N 1 1 392.374 3.139 20 5 GGBDMO CCN1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)CC1 ZINC000093132957 1410223523 /nfs/dbraw/zinc/22/35/23/1410223523.db2.gz KGRXICZPMNOKNI-KRWDZBQOSA-N 1 1 384.480 3.067 20 5 GGBDMO CCN1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)CC1 ZINC000093132957 1410223528 /nfs/dbraw/zinc/22/35/28/1410223528.db2.gz KGRXICZPMNOKNI-KRWDZBQOSA-N 1 1 384.480 3.067 20 5 GGBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000093360425 1410238626 /nfs/dbraw/zinc/23/86/26/1410238626.db2.gz CXDHGDFLYUHKHS-LBPRGKRZSA-N 1 1 377.828 3.466 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093482641 1410248204 /nfs/dbraw/zinc/24/82/04/1410248204.db2.gz FXBDGYYJCBCZBV-AAEUAGOBSA-N 1 1 392.374 3.280 20 5 GGBDMO CC(C)c1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc1[N+](=O)[O-] ZINC000093534033 1410249906 /nfs/dbraw/zinc/24/99/06/1410249906.db2.gz XKIMTCJMCVVDAR-UHFFFAOYSA-N 1 1 382.464 3.139 20 5 GGBDMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534216 1410250664 /nfs/dbraw/zinc/25/06/64/1410250664.db2.gz CPWGVRHZUSIUMV-QGZVFWFLSA-N 1 1 378.436 3.375 20 5 GGBDMO COc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC(F)F ZINC000093534456 1410250848 /nfs/dbraw/zinc/25/08/48/1410250848.db2.gz FPWRYSFMHHDKTD-CYBMUJFWSA-N 1 1 394.378 3.286 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)nc1 ZINC000093534262 1410250865 /nfs/dbraw/zinc/25/08/65/1410250865.db2.gz RHHRRWGVTYEOKN-GFCCVEGCSA-N 1 1 382.342 3.417 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)nc1 ZINC000093534262 1410250872 /nfs/dbraw/zinc/25/08/72/1410250872.db2.gz RHHRRWGVTYEOKN-GFCCVEGCSA-N 1 1 382.342 3.417 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)nc1 ZINC000093534478 1410250992 /nfs/dbraw/zinc/25/09/92/1410250992.db2.gz HCZPMIMMLJESMK-MRXNPFEDSA-N 1 1 382.399 3.205 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC(C)C ZINC000093534279 1410251147 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JPFQICDFPDMGFO-FQEVSTJZSA-N 1 1 393.447 3.144 20 5 GGBDMO O=[N+]([O-])c1cn(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)nc1-c1ccncc1 ZINC000176806064 1428472297 /nfs/dbraw/zinc/47/22/97/1428472297.db2.gz RNVXLUIMPPCQFK-LJQANCHMSA-N 1 1 393.447 3.144 20 5 GGBDMO O=[N+]([O-])c1cn(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)nc1-c1ccncc1 ZINC000176806064 1428472305 /nfs/dbraw/zinc/47/23/05/1428472305.db2.gz RNVXLUIMPPCQFK-LJQANCHMSA-N 1 1 393.447 3.144 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000097152751 1410355705 /nfs/dbraw/zinc/35/57/05/1410355705.db2.gz GEPOGWCPKINNDC-LBPRGKRZSA-N 1 1 378.429 3.052 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000097592044 1410381714 /nfs/dbraw/zinc/38/17/14/1410381714.db2.gz FKIJWVJXKUWZRF-QGZVFWFLSA-N 1 1 382.464 3.130 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000097592044 1410381721 /nfs/dbraw/zinc/38/17/21/1410381721.db2.gz FKIJWVJXKUWZRF-QGZVFWFLSA-N 1 1 382.464 3.130 20 5 GGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccn3)CC2)c(C(F)(F)F)c1 ZINC000098092867 1410409550 /nfs/dbraw/zinc/40/95/50/1410409550.db2.gz KPABIHZQXCKBCY-UHFFFAOYSA-N 1 1 380.370 3.373 20 5 GGBDMO Cc1nn(C)c(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000098102011 1410417424 /nfs/dbraw/zinc/41/74/24/1410417424.db2.gz IGGVPHCCDRLUBK-UHFFFAOYSA-N 1 1 399.495 3.331 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC ZINC000098135202 1410430754 /nfs/dbraw/zinc/43/07/54/1410430754.db2.gz ZFFPNKRHEPISBJ-UHFFFAOYSA-N 1 1 387.436 3.461 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC ZINC000098135202 1410430769 /nfs/dbraw/zinc/43/07/69/1410430769.db2.gz ZFFPNKRHEPISBJ-UHFFFAOYSA-N 1 1 387.436 3.461 20 5 GGBDMO COc1cc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000101531497 1410450899 /nfs/dbraw/zinc/45/08/99/1410450899.db2.gz LPZLHCMTQNCDPB-UHFFFAOYSA-N 1 1 397.475 3.384 20 5 GGBDMO O=C(Oc1ccccc1)N1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000101567058 1410466361 /nfs/dbraw/zinc/46/63/61/1410466361.db2.gz YPBDSCVBNRSUSX-UHFFFAOYSA-N 1 1 385.420 3.180 20 5 GGBDMO O=C(Oc1ccccc1)N1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000101567058 1410466364 /nfs/dbraw/zinc/46/63/64/1410466364.db2.gz YPBDSCVBNRSUSX-UHFFFAOYSA-N 1 1 385.420 3.180 20 5 GGBDMO O=C(Oc1ccccc1)N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000101567024 1410466965 /nfs/dbraw/zinc/46/69/65/1410466965.db2.gz RNXNNOKLTHWEPG-UHFFFAOYSA-N 1 1 385.420 3.180 20 5 GGBDMO O=C(Oc1ccccc1)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000101567024 1410466969 /nfs/dbraw/zinc/46/69/69/1410466969.db2.gz RNXNNOKLTHWEPG-UHFFFAOYSA-N 1 1 385.420 3.180 20 5 GGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000101607428 1410477655 /nfs/dbraw/zinc/47/76/55/1410477655.db2.gz XTHBCQUNMOWLNF-UHFFFAOYSA-N 1 1 396.491 3.445 20 5 GGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000102006665 1410542755 /nfs/dbraw/zinc/54/27/55/1410542755.db2.gz FQGSGRBQANJAJB-MRXNPFEDSA-N 1 1 388.493 3.368 20 5 GGBDMO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000102422366 1410624782 /nfs/dbraw/zinc/62/47/82/1410624782.db2.gz JNLPRFKSTIBQHW-INIZCTEOSA-N 1 1 388.537 3.439 20 5 GGBDMO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000102422389 1410626027 /nfs/dbraw/zinc/62/60/27/1410626027.db2.gz FNXJJVAEFYOQTR-MRXNPFEDSA-N 1 1 388.537 3.439 20 5 GGBDMO COCCC[N@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000102779349 1410747172 /nfs/dbraw/zinc/74/71/72/1410747172.db2.gz JZFVRVQVTKSRTR-HNNXBMFYSA-N 1 1 398.463 3.386 20 5 GGBDMO COCCC[N@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2C1 ZINC000102779268 1410747851 /nfs/dbraw/zinc/74/78/51/1410747851.db2.gz AAEBIIISCXNQGJ-HNNXBMFYSA-N 1 1 398.463 3.386 20 5 GGBDMO C[N@H+](CCOc1cccc(CNCc2cccc([N+](=O)[O-])c2)c1)C1CCOCC1 ZINC000102781511 1410752115 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385.468 3.044 20 5 GGBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458309 1410859525 /nfs/dbraw/zinc/85/95/25/1410859525.db2.gz VJESAJUHNYCPLC-MRXNPFEDSA-N 1 1 385.468 3.044 20 5 GGBDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000103475171 1410861704 /nfs/dbraw/zinc/86/17/04/1410861704.db2.gz CSDVAYQFYPBEBV-UHFFFAOYSA-N 1 1 393.447 3.488 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(Cc4ccccn4)CC3)o2)c1 ZINC000104663792 1410923366 /nfs/dbraw/zinc/92/33/66/1410923366.db2.gz SJPNONUBOXDQDF-UHFFFAOYSA-N 1 1 393.447 3.005 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(c4nccs4)CC3)o2)c1 ZINC000104664373 1410925262 /nfs/dbraw/zinc/92/52/62/1410925262.db2.gz MTYYEZFORKDOKZ-UHFFFAOYSA-N 1 1 385.449 3.071 20 5 GGBDMO CCCC(=O)N[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104682591 1410927663 /nfs/dbraw/zinc/92/76/63/1410927663.db2.gz LAISXAYAZVWGPB-INIZCTEOSA-N 1 1 386.452 3.173 20 5 GGBDMO Cc1cc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104894524 1410992556 /nfs/dbraw/zinc/99/25/56/1410992556.db2.gz CTFMRFCUIYTUAH-UHFFFAOYSA-N 1 1 396.491 3.470 20 5 GGBDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000105407454 1411063607 /nfs/dbraw/zinc/06/36/07/1411063607.db2.gz GVNATDIDIYJBHP-WCQYABFASA-N 1 1 378.454 3.436 20 5 GGBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106788037 1411301987 /nfs/dbraw/zinc/30/19/87/1411301987.db2.gz VCRZERYGWZLJJZ-AWEZNQCLSA-N 1 1 386.477 3.465 20 5 GGBDMO CN(CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000107682041 1411397783 /nfs/dbraw/zinc/39/77/83/1411397783.db2.gz PSCCPQYCKBYZPG-UHFFFAOYSA-N 1 1 376.844 3.255 20 5 GGBDMO CN(CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000107682041 1411397789 /nfs/dbraw/zinc/39/77/89/1411397789.db2.gz PSCCPQYCKBYZPG-UHFFFAOYSA-N 1 1 376.844 3.255 20 5 GGBDMO 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CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000108784884 1411608916 /nfs/dbraw/zinc/60/89/16/1411608916.db2.gz WKLSZWSCGVXNHZ-INIZCTEOSA-N 1 1 386.496 3.045 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000109013383 1411661859 /nfs/dbraw/zinc/66/18/59/1411661859.db2.gz YEAHPPWWLAALCD-UHFFFAOYSA-N 1 1 397.884 3.178 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H]1COc2ccccc2O1 ZINC000109093134 1411682028 /nfs/dbraw/zinc/68/20/28/1411682028.db2.gz WERCZGPCZSDJOQ-KRWDZBQOSA-N 1 1 399.447 3.394 20 5 GGBDMO O=C(c1cc2ccccc2c2cccnc12)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000109110068 1411686194 /nfs/dbraw/zinc/68/61/94/1411686194.db2.gz JFHBXPLBIGMHCU-SFHVURJKSA-N 1 1 375.472 3.325 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000109313026 1411738555 /nfs/dbraw/zinc/73/85/55/1411738555.db2.gz CJIFIHZXFPADNC-QGZVFWFLSA-N 1 1 386.427 3.256 20 5 GGBDMO Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])n1 ZINC000109849669 1411813917 /nfs/dbraw/zinc/81/39/17/1411813917.db2.gz BLZDFXRIJQFJKO-LBPRGKRZSA-N 1 1 392.506 3.192 20 5 GGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000109894593 1411817087 /nfs/dbraw/zinc/81/70/87/1411817087.db2.gz HEVWLNCYFPEYTC-IBGZPJMESA-N 1 1 385.468 3.165 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000110020245 1411825773 /nfs/dbraw/zinc/82/57/73/1411825773.db2.gz ANORKBLQTRIIIK-UHFFFAOYSA-N 1 1 381.436 3.241 20 5 GGBDMO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000110020245 1411825774 /nfs/dbraw/zinc/82/57/74/1411825774.db2.gz ANORKBLQTRIIIK-UHFFFAOYSA-N 1 1 381.436 3.241 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000110020245 1411825776 /nfs/dbraw/zinc/82/57/76/1411825776.db2.gz ANORKBLQTRIIIK-UHFFFAOYSA-N 1 1 381.436 3.241 20 5 GGBDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110239602 1411839615 /nfs/dbraw/zinc/83/96/15/1411839615.db2.gz KMQHFNRTXAGYRT-UHFFFAOYSA-N 1 1 389.839 3.375 20 5 GGBDMO C[N@H+](CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000110266139 1411841529 /nfs/dbraw/zinc/84/15/29/1411841529.db2.gz XZMANAKHWGEMKO-UHFFFAOYSA-N 1 1 399.419 3.135 20 5 GGBDMO C[N@@H+](CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000110266139 1411841532 /nfs/dbraw/zinc/84/15/32/1411841532.db2.gz XZMANAKHWGEMKO-UHFFFAOYSA-N 1 1 399.419 3.135 20 5 GGBDMO C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@@H+](C)Cc1ccccc1 ZINC000110350372 1411845832 /nfs/dbraw/zinc/84/58/32/1411845832.db2.gz XTGNEYCJWVXABJ-MRXNPFEDSA-N 1 1 393.447 3.031 20 5 GGBDMO C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@@H+](C)Cc1ccccc1 ZINC000110350369 1411846003 /nfs/dbraw/zinc/84/60/03/1411846003.db2.gz XTGNEYCJWVXABJ-INIZCTEOSA-N 1 1 393.447 3.031 20 5 GGBDMO Cc1c(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110353470 1411846266 /nfs/dbraw/zinc/84/62/66/1411846266.db2.gz YNEDSWDHGIYKCZ-ZDUSSCGKSA-N 1 1 386.408 3.062 20 5 GGBDMO CC[N@H+]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000110816065 1411871630 /nfs/dbraw/zinc/87/16/30/1411871630.db2.gz VVOLCDMRIIYHDB-UHFFFAOYSA-N 1 1 382.464 3.375 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000110880761 1411875144 /nfs/dbraw/zinc/87/51/44/1411875144.db2.gz JIDYCWDBTHWYTG-INIZCTEOSA-N 1 1 384.436 3.118 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)oc1C ZINC000111154029 1411891559 /nfs/dbraw/zinc/89/15/59/1411891559.db2.gz OEGJHZIUIHMGMC-UHFFFAOYSA-N 1 1 386.452 3.150 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)oc1C ZINC000111153964 1411891754 /nfs/dbraw/zinc/89/17/54/1411891754.db2.gz KBWZEXOWZCWRME-UHFFFAOYSA-N 1 1 386.452 3.150 20 5 GGBDMO NC(=O)c1ccc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000111261234 1411898415 /nfs/dbraw/zinc/89/84/15/1411898415.db2.gz WNRZJYYALXPJAR-UHFFFAOYSA-N 1 1 383.448 3.123 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177177757 1428616398 /nfs/dbraw/zinc/61/63/98/1428616398.db2.gz GJJUVGXSOODECT-WBVHZDCISA-N 1 1 386.496 3.186 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000177194666 1428625221 /nfs/dbraw/zinc/62/52/21/1428625221.db2.gz XHBOIOHIUYKUQD-UHFFFAOYSA-N 1 1 381.436 3.251 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nc2ccccc2n1C ZINC000177194666 1428625229 /nfs/dbraw/zinc/62/52/29/1428625229.db2.gz XHBOIOHIUYKUQD-UHFFFAOYSA-N 1 1 381.436 3.251 20 5 GGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]([NH2+]CCn1cccn1)c1ccccc1 ZINC000112548128 1412167025 /nfs/dbraw/zinc/16/70/25/1412167025.db2.gz RQRVWASVBLSQNM-GOSISDBHSA-N 1 1 399.838 3.414 20 5 GGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112699736 1412195830 /nfs/dbraw/zinc/19/58/30/1412195830.db2.gz SPVPBUTZOLXQCL-INIZCTEOSA-N 1 1 377.485 3.238 20 5 GGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112699737 1412196434 /nfs/dbraw/zinc/19/64/34/1412196434.db2.gz SPVPBUTZOLXQCL-MRXNPFEDSA-N 1 1 377.485 3.238 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)CC(F)(F)F ZINC000177208501 1428633089 /nfs/dbraw/zinc/63/30/89/1428633089.db2.gz DGASGCDDTNQREV-LBPRGKRZSA-N 1 1 386.374 3.442 20 5 GGBDMO O=C(C[N@H+](Cc1cccc(O)c1)CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000112978427 1412249641 /nfs/dbraw/zinc/24/96/41/1412249641.db2.gz ODJGHOUVAZEILV-UHFFFAOYSA-N 1 1 381.432 3.102 20 5 GGBDMO O=C(C[N@@H+](Cc1cccc(O)c1)CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000112978427 1412249647 /nfs/dbraw/zinc/24/96/47/1412249647.db2.gz ODJGHOUVAZEILV-UHFFFAOYSA-N 1 1 381.432 3.102 20 5 GGBDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000112982350 1412250016 /nfs/dbraw/zinc/25/00/16/1412250016.db2.gz UWYJWTVTGLIRMW-QGZVFWFLSA-N 1 1 386.452 3.125 20 5 GGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000113196199 1412273873 /nfs/dbraw/zinc/27/38/73/1412273873.db2.gz BJIRKPKNFQACBB-AWEZNQCLSA-N 1 1 378.429 3.114 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000113900822 1412347924 /nfs/dbraw/zinc/34/79/24/1412347924.db2.gz UIZWDDFRFLSUHL-HOTGVXAUSA-N 1 1 375.469 3.330 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000113944960 1412357166 /nfs/dbraw/zinc/35/71/66/1412357166.db2.gz LQTBZRBLZJTMGE-GJZGRUSLSA-N 1 1 399.488 3.009 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000113945173 1412357226 /nfs/dbraw/zinc/35/72/26/1412357226.db2.gz IKDHZCDOJZWGES-CABCVRRESA-N 1 1 399.488 3.009 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113945134 1412357447 /nfs/dbraw/zinc/35/74/47/1412357447.db2.gz ICENINURMDFYAZ-DLBZAZTESA-N 1 1 395.525 3.178 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000113944957 1412357518 /nfs/dbraw/zinc/35/75/18/1412357518.db2.gz LQTBZRBLZJTMGE-CABCVRRESA-N 1 1 399.488 3.009 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000114022820 1412370549 /nfs/dbraw/zinc/37/05/49/1412370549.db2.gz OQCWIZSUSGQHTR-MJGOQNOKSA-N 1 1 388.512 3.433 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000114469290 1412440060 /nfs/dbraw/zinc/44/00/60/1412440060.db2.gz XPRMGNZPVJSPTM-GOSISDBHSA-N 1 1 383.448 3.214 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000114469292 1412440756 /nfs/dbraw/zinc/44/07/56/1412440756.db2.gz XPRMGNZPVJSPTM-SFHVURJKSA-N 1 1 383.448 3.214 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000114475731 1412441345 /nfs/dbraw/zinc/44/13/45/1412441345.db2.gz GOQOXRZHSOLWHV-HXUWFJFHSA-N 1 1 388.512 3.144 20 5 GGBDMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000114501277 1412447247 /nfs/dbraw/zinc/44/72/47/1412447247.db2.gz NZYWSEGBMFPFSQ-RYUDHWBXSA-N 1 1 391.399 3.429 20 5 GGBDMO COc1cc(F)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000114501507 1412447403 /nfs/dbraw/zinc/44/74/03/1412447403.db2.gz FLVWRQYAPADAGQ-NWDGAFQWSA-N 1 1 391.399 3.429 20 5 GGBDMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000114643894 1412484574 /nfs/dbraw/zinc/48/45/74/1412484574.db2.gz KQBOVWYVVUVVLT-INIZCTEOSA-N 1 1 398.419 3.206 20 5 GGBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000114644001 1412485224 /nfs/dbraw/zinc/48/52/24/1412485224.db2.gz VTIIGNKELRCJGW-CQSZACIVSA-N 1 1 375.375 3.267 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115271242 1412627575 /nfs/dbraw/zinc/62/75/75/1412627575.db2.gz AAGHJCXCCSEOGS-GDBMZVCRSA-N 1 1 395.525 3.184 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115271239 1412628053 /nfs/dbraw/zinc/62/80/53/1412628053.db2.gz AAGHJCXCCSEOGS-ZBFHGGJFSA-N 1 1 395.525 3.184 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115271030 1412628075 /nfs/dbraw/zinc/62/80/75/1412628075.db2.gz OMMSDZCEEXIQPU-CJNGLKHVSA-N 1 1 383.876 3.115 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115274832 1412630130 /nfs/dbraw/zinc/63/01/30/1412630130.db2.gz GAPYSZJXOQJEHY-CJNGLKHVSA-N 1 1 383.876 3.115 20 5 GGBDMO O=C(C[NH+]1CCC(OCc2ccccc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000115357641 1412657541 /nfs/dbraw/zinc/65/75/41/1412657541.db2.gz OEYFJQXGCWDTJW-UHFFFAOYSA-N 1 1 395.459 3.165 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115702690 1412766433 /nfs/dbraw/zinc/76/64/33/1412766433.db2.gz YUKHRPUFFSVDLM-GJYPPUQNSA-N 1 1 392.500 3.092 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000115748721 1412776833 /nfs/dbraw/zinc/77/68/33/1412776833.db2.gz BUSUTIIVDSCJPW-GDBMZVCRSA-N 1 1 378.473 3.162 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115745253 1412777157 /nfs/dbraw/zinc/77/71/57/1412777157.db2.gz ZCEZBKVZSQJWKM-WBVHZDCISA-N 1 1 378.473 3.162 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000115860720 1412803504 /nfs/dbraw/zinc/80/35/04/1412803504.db2.gz DWBREDOVNHZJPH-UHFFFAOYSA-N 1 1 384.367 3.167 20 5 GGBDMO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116276865 1412847526 /nfs/dbraw/zinc/84/75/26/1412847526.db2.gz AHZVHPHQYYGNLH-UHFFFAOYSA-N 1 1 397.903 3.392 20 5 GGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116738712 1412911844 /nfs/dbraw/zinc/91/18/44/1412911844.db2.gz VJZAIOJMMJBVHH-CQSZACIVSA-N 1 1 383.876 3.254 20 5 GGBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000117600254 1413054700 /nfs/dbraw/zinc/05/47/00/1413054700.db2.gz RZYUPIXTZFEPKU-CQSZACIVSA-N 1 1 387.867 3.354 20 5 GGBDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000118860157 1413249145 /nfs/dbraw/zinc/24/91/45/1413249145.db2.gz QDCACUZVKYSJRG-OAHLLOKOSA-N 1 1 397.439 3.197 20 5 GGBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000118860157 1413249154 /nfs/dbraw/zinc/24/91/54/1413249154.db2.gz QDCACUZVKYSJRG-OAHLLOKOSA-N 1 1 397.439 3.197 20 5 GGBDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000118860499 1413249478 /nfs/dbraw/zinc/24/94/78/1413249478.db2.gz XOQZFYMXOMNLBE-OAHLLOKOSA-N 1 1 397.439 3.197 20 5 GGBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000118860499 1413249483 /nfs/dbraw/zinc/24/94/83/1413249483.db2.gz XOQZFYMXOMNLBE-OAHLLOKOSA-N 1 1 397.439 3.197 20 5 GGBDMO COc1ccc(-c2nc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)co2)cc1 ZINC000118865952 1413250931 /nfs/dbraw/zinc/25/09/31/1413250931.db2.gz NANOSTXASNISCI-HNNXBMFYSA-N 1 1 395.419 3.340 20 5 GGBDMO COc1ccc(-c2nc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)co2)cc1 ZINC000118865952 1413250942 /nfs/dbraw/zinc/25/09/42/1413250942.db2.gz NANOSTXASNISCI-HNNXBMFYSA-N 1 1 395.419 3.340 20 5 GGBDMO Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2cc1C ZINC000118866559 1413252626 /nfs/dbraw/zinc/25/26/26/1413252626.db2.gz UTMVWSOQPUQMEP-INIZCTEOSA-N 1 1 394.431 3.399 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000118867273 1413252717 /nfs/dbraw/zinc/25/27/17/1413252717.db2.gz KBKAFQZOAHRKQF-IBGZPJMESA-N 1 1 398.463 3.445 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000118867273 1413252725 /nfs/dbraw/zinc/25/27/25/1413252725.db2.gz KBKAFQZOAHRKQF-IBGZPJMESA-N 1 1 398.463 3.445 20 5 GGBDMO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc2ccccc21 ZINC000118866511 1413252820 /nfs/dbraw/zinc/25/28/20/1413252820.db2.gz QYLSEXSZBXQMPR-INIZCTEOSA-N 1 1 391.431 3.268 20 5 GGBDMO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc2ccccc21 ZINC000118866511 1413252827 /nfs/dbraw/zinc/25/28/27/1413252827.db2.gz QYLSEXSZBXQMPR-INIZCTEOSA-N 1 1 391.431 3.268 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCc3nc(-c4ccccc4)no3)C2)nc1 ZINC000118866026 1413252916 /nfs/dbraw/zinc/25/29/16/1413252916.db2.gz CYSYNDKCNRTSKQ-MRXNPFEDSA-N 1 1 394.435 3.159 20 5 GGBDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866751 1413253774 /nfs/dbraw/zinc/25/37/74/1413253774.db2.gz ALWXAKOITAQGQN-CVEARBPZSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866751 1413253780 /nfs/dbraw/zinc/25/37/80/1413253780.db2.gz ALWXAKOITAQGQN-CVEARBPZSA-N 1 1 383.452 3.120 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000118867526 1413255114 /nfs/dbraw/zinc/25/51/14/1413255114.db2.gz BGVAORNXAPRQRL-LJQANCHMSA-N 1 1 398.463 3.445 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000118867526 1413255137 /nfs/dbraw/zinc/25/51/37/1413255137.db2.gz BGVAORNXAPRQRL-LJQANCHMSA-N 1 1 398.463 3.445 20 5 GGBDMO C[N@@H+](CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Cc1ccccc1 ZINC000119195473 1413372779 /nfs/dbraw/zinc/37/27/79/1413372779.db2.gz VXGFIJVGWSZRSW-UHFFFAOYSA-N 1 1 382.464 3.401 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)co2)cc1 ZINC000119394811 1413433436 /nfs/dbraw/zinc/43/34/36/1413433436.db2.gz UEXLYUBYJDBMDU-LJQANCHMSA-N 1 1 387.436 3.410 20 5 GGBDMO NC(=O)CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000119470099 1413458630 /nfs/dbraw/zinc/45/86/30/1413458630.db2.gz PBBAWEOBHRPYRX-UHFFFAOYSA-N 1 1 380.404 3.127 20 5 GGBDMO NC(=O)CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000119470099 1413458635 /nfs/dbraw/zinc/45/86/35/1413458635.db2.gz PBBAWEOBHRPYRX-UHFFFAOYSA-N 1 1 380.404 3.127 20 5 GGBDMO CCN1CCN([C@H]2CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)CC1 ZINC000119605881 1413501631 /nfs/dbraw/zinc/50/16/31/1413501631.db2.gz DVTGYMTXFFHZOO-IBGZPJMESA-N 1 1 384.480 3.067 20 5 GGBDMO CCN1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)CC1 ZINC000119605881 1413501635 /nfs/dbraw/zinc/50/16/35/1413501635.db2.gz DVTGYMTXFFHZOO-IBGZPJMESA-N 1 1 384.480 3.067 20 5 GGBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000119642381 1413512854 /nfs/dbraw/zinc/51/28/54/1413512854.db2.gz VZCQEODLRMSNCN-SFHVURJKSA-N 1 1 375.856 3.411 20 5 GGBDMO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000119680705 1413529450 /nfs/dbraw/zinc/52/94/50/1413529450.db2.gz PDVFEADNTYSAEX-GFCCVEGCSA-N 1 1 397.884 3.349 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119687851 1413531846 /nfs/dbraw/zinc/53/18/46/1413531846.db2.gz LQHPBRNHGVOHNP-VFNWGFHPSA-N 1 1 392.459 3.255 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000119721029 1413544298 /nfs/dbraw/zinc/54/42/98/1413544298.db2.gz UXHTVCADABFCAC-PXAZEXFGSA-N 1 1 375.375 3.123 20 5 GGBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000119760201 1413558904 /nfs/dbraw/zinc/55/89/04/1413558904.db2.gz IMOJDHGESWGULF-AWEZNQCLSA-N 1 1 389.477 3.307 20 5 GGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000119769762 1413562714 /nfs/dbraw/zinc/56/27/14/1413562714.db2.gz QXWVCYAVESSIER-ZIAGYGMSSA-N 1 1 383.876 3.110 20 5 GGBDMO CC[NH+](CC)CCOc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120027584 1413658643 /nfs/dbraw/zinc/65/86/43/1413658643.db2.gz IZIOZRCNZRAZEF-UHFFFAOYSA-N 1 1 399.494 3.178 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000120038037 1413663091 /nfs/dbraw/zinc/66/30/91/1413663091.db2.gz NVNLAUCNGOUGIF-CQSZACIVSA-N 1 1 393.484 3.242 20 5 GGBDMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1[N+](=O)[O-] ZINC000120132217 1413700887 /nfs/dbraw/zinc/70/08/87/1413700887.db2.gz NSSPJVBVSRFPTL-INIZCTEOSA-N 1 1 385.468 3.301 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000120198491 1413727830 /nfs/dbraw/zinc/72/78/30/1413727830.db2.gz KFTZXCWGWVRGOO-IAGOWNOFSA-N 1 1 392.500 3.470 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000120241632 1413747545 /nfs/dbraw/zinc/74/75/45/1413747545.db2.gz QIHPKQPNGJJZFJ-GASCZTMLSA-N 1 1 378.473 3.221 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000120241632 1413747553 /nfs/dbraw/zinc/74/75/53/1413747553.db2.gz QIHPKQPNGJJZFJ-GASCZTMLSA-N 1 1 378.473 3.221 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000120241981 1413747654 /nfs/dbraw/zinc/74/76/54/1413747654.db2.gz QIHPKQPNGJJZFJ-GJZGRUSLSA-N 1 1 378.473 3.221 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cn1 ZINC000120312238 1413779694 /nfs/dbraw/zinc/77/96/94/1413779694.db2.gz YIHHEGSIHNWALO-UHFFFAOYSA-N 1 1 380.408 3.422 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000120321418 1413785331 /nfs/dbraw/zinc/78/53/31/1413785331.db2.gz NDVKSGGHVJVHCO-UHFFFAOYSA-N 1 1 386.452 3.130 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000120493877 1413829706 /nfs/dbraw/zinc/82/97/06/1413829706.db2.gz LSDVMAYQBOQCLO-YLJYHZDGSA-N 1 1 396.491 3.490 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000120494364 1413829732 /nfs/dbraw/zinc/82/97/32/1413829732.db2.gz LSDVMAYQBOQCLO-PXNSSMCTSA-N 1 1 396.491 3.490 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000120494211 1413829792 /nfs/dbraw/zinc/82/97/92/1413829792.db2.gz LSDVMAYQBOQCLO-XLIONFOSSA-N 1 1 396.491 3.490 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000120494047 1413829893 /nfs/dbraw/zinc/82/98/93/1413829893.db2.gz LSDVMAYQBOQCLO-FXAWDEMLSA-N 1 1 396.491 3.490 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1Cc1ccccc1 ZINC000177477422 1428758978 /nfs/dbraw/zinc/75/89/78/1428758978.db2.gz DGSYRSIRFHHDSC-CJNGLKHVSA-N 1 1 386.427 3.099 20 5 GGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000120603388 1413853005 /nfs/dbraw/zinc/85/30/05/1413853005.db2.gz PRWZLCQXPFKMNJ-IAGOWNOFSA-N 1 1 379.457 3.067 20 5 GGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000120650415 1413865760 /nfs/dbraw/zinc/86/57/60/1413865760.db2.gz COUBKAAXAZGODU-IRXDYDNUSA-N 1 1 377.441 3.028 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000120707492 1413880443 /nfs/dbraw/zinc/88/04/43/1413880443.db2.gz ZCIRIEHZTXLKIX-LBPRGKRZSA-N 1 1 386.399 3.296 20 5 GGBDMO CC1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000120734654 1413888133 /nfs/dbraw/zinc/88/81/33/1413888133.db2.gz WMGHLOLXYUEGFR-WMZOPIPTSA-N 1 1 388.512 3.243 20 5 GGBDMO CC(C)C[N@@H+]1CCC[C@@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000120798381 1413906454 /nfs/dbraw/zinc/90/64/54/1413906454.db2.gz POYUBHUUAWKJJM-KRWDZBQOSA-N 1 1 385.512 3.453 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000120798381 1413906455 /nfs/dbraw/zinc/90/64/55/1413906455.db2.gz POYUBHUUAWKJJM-KRWDZBQOSA-N 1 1 385.512 3.453 20 5 GGBDMO O=C1[C@H]([NH+]2CCC(OCC3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000177489750 1428764936 /nfs/dbraw/zinc/76/49/36/1428764936.db2.gz RFPXJUWSRFAADZ-HXUWFJFHSA-N 1 1 387.480 3.371 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000120998067 1413972029 /nfs/dbraw/zinc/97/20/29/1413972029.db2.gz NFVSIRWLZPMPRO-SFHVURJKSA-N 1 1 396.491 3.438 20 5 GGBDMO C[N@@H+](CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Cc1ccccc1 ZINC000121015745 1413977825 /nfs/dbraw/zinc/97/78/25/1413977825.db2.gz GSHQPWQMBZZSFT-UHFFFAOYSA-N 1 1 382.464 3.401 20 5 GGBDMO C[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Cc1ccccc1 ZINC000121056172 1413990955 /nfs/dbraw/zinc/99/09/55/1413990955.db2.gz NXGRNABUVFETKZ-UHFFFAOYSA-N 1 1 378.432 3.395 20 5 GGBDMO CCCCCNC(=O)C1CC[NH+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000121100726 1414007804 /nfs/dbraw/zinc/00/78/04/1414007804.db2.gz WDRLUFSWXICZBN-UHFFFAOYSA-N 1 1 387.484 3.229 20 5 GGBDMO Cc1nn(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121110663 1414011088 /nfs/dbraw/zinc/01/10/88/1414011088.db2.gz UWGLEPZFYKQCOR-UHFFFAOYSA-N 1 1 389.456 3.200 20 5 GGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121120188 1414014512 /nfs/dbraw/zinc/01/45/12/1414014512.db2.gz SCELCBHKJOBAGF-ZBFHGGJFSA-N 1 1 387.484 3.227 20 5 GGBDMO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121126053 1414016764 /nfs/dbraw/zinc/01/67/64/1414016764.db2.gz WOJKFIFWTUOHQM-FQEVSTJZSA-N 1 1 386.448 3.480 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000121127998 1414017322 /nfs/dbraw/zinc/01/73/22/1414017322.db2.gz KGJIJFHMLUBPLX-IBGZPJMESA-N 1 1 385.464 3.361 20 5 GGBDMO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000121151633 1414025794 /nfs/dbraw/zinc/02/57/94/1414025794.db2.gz RNJBFKJPIFCQPP-UHFFFAOYSA-N 1 1 392.253 3.349 20 5 GGBDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000121151633 1414025798 /nfs/dbraw/zinc/02/57/98/1414025798.db2.gz RNJBFKJPIFCQPP-UHFFFAOYSA-N 1 1 392.253 3.349 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000121183036 1414036422 /nfs/dbraw/zinc/03/64/22/1414036422.db2.gz BTMTYWPVIGAFSL-MRXNPFEDSA-N 1 1 393.447 3.351 20 5 GGBDMO COc1cc(CNC2CC[NH+](C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000121198007 1414041409 /nfs/dbraw/zinc/04/14/09/1414041409.db2.gz KWPMFRXNAQEPHP-UHFFFAOYSA-N 1 1 385.464 3.366 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000121221570 1414048708 /nfs/dbraw/zinc/04/87/08/1414048708.db2.gz KTGOCSMZIGWVCO-OAQYLSRUSA-N 1 1 383.448 3.479 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@](C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000121221570 1414048714 /nfs/dbraw/zinc/04/87/14/1414048714.db2.gz KTGOCSMZIGWVCO-OAQYLSRUSA-N 1 1 383.448 3.479 20 5 GGBDMO Cc1nn(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121245854 1414056965 /nfs/dbraw/zinc/05/69/65/1414056965.db2.gz HHUHWGIJARDDSV-SFHVURJKSA-N 1 1 388.468 3.261 20 5 GGBDMO Cc1c(C(=O)N2CC[N@H+](C)CC23CCCCC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177514768 1428778018 /nfs/dbraw/zinc/77/80/18/1428778018.db2.gz YZJRALGEQLLDEI-UHFFFAOYSA-N 1 1 390.440 3.210 20 5 GGBDMO Cc1cc(N2CCC[C@H](OC(=O)CCc3cccc([N+](=O)[O-])c3)C2)nc(C)[nH+]1 ZINC000121284164 1414071319 /nfs/dbraw/zinc/07/13/19/1414071319.db2.gz OKMYOMXMWNBSEW-SFHVURJKSA-N 1 1 384.436 3.146 20 5 GGBDMO Cc1cc(N2CCC[C@@H](OC(=O)CCc3cccc([N+](=O)[O-])c3)C2)nc(C)[nH+]1 ZINC000121284310 1414071416 /nfs/dbraw/zinc/07/14/16/1414071416.db2.gz OKMYOMXMWNBSEW-GOSISDBHSA-N 1 1 384.436 3.146 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000121288023 1414072769 /nfs/dbraw/zinc/07/27/69/1414072769.db2.gz JCTRPKUDLQTISN-HNNXBMFYSA-N 1 1 387.411 3.246 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000121288023 1414072778 /nfs/dbraw/zinc/07/27/78/1414072778.db2.gz JCTRPKUDLQTISN-HNNXBMFYSA-N 1 1 387.411 3.246 20 5 GGBDMO COc1ccc(C[C@@H](C)C[N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000121459290 1414133240 /nfs/dbraw/zinc/13/32/40/1414133240.db2.gz LPVWAZAYQUTBRH-GFCCVEGCSA-N 1 1 397.273 3.331 20 5 GGBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000121459290 1414133252 /nfs/dbraw/zinc/13/32/52/1414133252.db2.gz LPVWAZAYQUTBRH-GFCCVEGCSA-N 1 1 397.273 3.331 20 5 GGBDMO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C(=O)NC3CC3)o2)c([N+](=O)[O-])c1 ZINC000121477516 1414142057 /nfs/dbraw/zinc/14/20/57/1414142057.db2.gz QQGMDLCOTMHMTN-QGZVFWFLSA-N 1 1 385.420 3.106 20 5 GGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C(=O)NC3CC3)o2)c([N+](=O)[O-])c1 ZINC000121477516 1414142067 /nfs/dbraw/zinc/14/20/67/1414142067.db2.gz QQGMDLCOTMHMTN-QGZVFWFLSA-N 1 1 385.420 3.106 20 5 GGBDMO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C(=O)NC3CC3)o2)c([N+](=O)[O-])c1 ZINC000121477667 1414142199 /nfs/dbraw/zinc/14/21/99/1414142199.db2.gz QQGMDLCOTMHMTN-KRWDZBQOSA-N 1 1 385.420 3.106 20 5 GGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C(=O)NC3CC3)o2)c([N+](=O)[O-])c1 ZINC000121477667 1414142214 /nfs/dbraw/zinc/14/22/14/1414142214.db2.gz QQGMDLCOTMHMTN-KRWDZBQOSA-N 1 1 385.420 3.106 20 5 GGBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000177532992 1428784302 /nfs/dbraw/zinc/78/43/02/1428784302.db2.gz FPRZUGREWPWMDL-WCQYABFASA-N 1 1 384.383 3.287 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000121564900 1414178993 /nfs/dbraw/zinc/17/89/93/1414178993.db2.gz QMDVXNLMTVMDDU-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000121564900 1414179004 /nfs/dbraw/zinc/17/90/04/1414179004.db2.gz QMDVXNLMTVMDDU-NSHDSACASA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000121565063 1414179797 /nfs/dbraw/zinc/17/97/97/1414179797.db2.gz QMDVXNLMTVMDDU-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000121565063 1414179812 /nfs/dbraw/zinc/17/98/12/1414179812.db2.gz QMDVXNLMTVMDDU-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO COc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000121814148 1414266242 /nfs/dbraw/zinc/26/62/42/1414266242.db2.gz JEOXEFOLLRGPJV-PBHICJAKSA-N 1 1 384.436 3.245 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122093451 1414360635 /nfs/dbraw/zinc/36/06/35/1414360635.db2.gz ZQMUDEUCCXVUND-FQEVSTJZSA-N 1 1 396.491 3.354 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122093246 1414361018 /nfs/dbraw/zinc/36/10/18/1414361018.db2.gz ZQMUDEUCCXVUND-HXUWFJFHSA-N 1 1 396.491 3.354 20 5 GGBDMO NC(=O)CC[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000122142366 1414372263 /nfs/dbraw/zinc/37/22/63/1414372263.db2.gz DZWXOIRJCSQVMQ-UHFFFAOYSA-N 1 1 379.363 3.074 20 5 GGBDMO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000122142366 1414372268 /nfs/dbraw/zinc/37/22/68/1414372268.db2.gz DZWXOIRJCSQVMQ-UHFFFAOYSA-N 1 1 379.363 3.074 20 5 GGBDMO CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000122276881 1414408874 /nfs/dbraw/zinc/40/88/74/1414408874.db2.gz WHAISLJOJNXBRW-HOTGVXAUSA-N 1 1 389.500 3.046 20 5 GGBDMO CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000122276881 1414408881 /nfs/dbraw/zinc/40/88/81/1414408881.db2.gz WHAISLJOJNXBRW-HOTGVXAUSA-N 1 1 389.500 3.046 20 5 GGBDMO CC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177606582 1428808980 /nfs/dbraw/zinc/80/89/80/1428808980.db2.gz ZFDQPDQQIHPRKP-IRXDYDNUSA-N 1 1 389.477 3.066 20 5 GGBDMO CC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177606582 1428808981 /nfs/dbraw/zinc/80/89/81/1428808981.db2.gz ZFDQPDQQIHPRKP-IRXDYDNUSA-N 1 1 389.477 3.066 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000122791207 1414565631 /nfs/dbraw/zinc/56/56/31/1414565631.db2.gz OBSXHNGBJQWTMG-GFCCVEGCSA-N 1 1 390.465 3.233 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000122791207 1414565635 /nfs/dbraw/zinc/56/56/35/1414565635.db2.gz OBSXHNGBJQWTMG-GFCCVEGCSA-N 1 1 390.465 3.233 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)CC(F)(F)F ZINC000177638783 1428819271 /nfs/dbraw/zinc/81/92/71/1428819271.db2.gz SRWGKUHJMGDTDN-ZDUSSCGKSA-N 1 1 385.390 3.108 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000122921193 1414597523 /nfs/dbraw/zinc/59/75/23/1414597523.db2.gz KQBYYORJVHDFNH-UHFFFAOYSA-N 1 1 384.436 3.343 20 5 GGBDMO Cc1cc(F)cc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000122984286 1414612985 /nfs/dbraw/zinc/61/29/85/1414612985.db2.gz FMHBWXWOEBMDDU-GFCCVEGCSA-N 1 1 377.441 3.280 20 5 GGBDMO Cc1cc(F)cc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000122984286 1414612987 /nfs/dbraw/zinc/61/29/87/1414612987.db2.gz FMHBWXWOEBMDDU-GFCCVEGCSA-N 1 1 377.441 3.280 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000177655371 1428824454 /nfs/dbraw/zinc/82/44/54/1428824454.db2.gz VCIHHCKWRLQGKS-UHFFFAOYSA-N 1 1 379.457 3.483 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)n2)cc1 ZINC000123654436 1414804702 /nfs/dbraw/zinc/80/47/02/1414804702.db2.gz MZEAATCVDRRUFV-HZPDHXFCSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)n2)cc1 ZINC000123654436 1414804704 /nfs/dbraw/zinc/80/47/04/1414804704.db2.gz MZEAATCVDRRUFV-HZPDHXFCSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)o2)cc1 ZINC000123663033 1414805673 /nfs/dbraw/zinc/80/56/73/1414805673.db2.gz JTRTYWHADSAYAF-HZPDHXFCSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)o2)cc1 ZINC000123663033 1414805675 /nfs/dbraw/zinc/80/56/75/1414805675.db2.gz JTRTYWHADSAYAF-HZPDHXFCSA-N 1 1 390.465 3.131 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000123735333 1414817617 /nfs/dbraw/zinc/81/76/17/1414817617.db2.gz RPSDIXLSBSFHOD-IAGOWNOFSA-N 1 1 393.509 3.218 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000123746846 1414819365 /nfs/dbraw/zinc/81/93/65/1414819365.db2.gz RDMCBQICZIVIST-SFHVURJKSA-N 1 1 382.464 3.425 20 5 GGBDMO Cc1cccn2cc(C[NH2+]Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)nc12 ZINC000124021551 1414871551 /nfs/dbraw/zinc/87/15/51/1414871551.db2.gz MBOSNTWDLZXCEN-UHFFFAOYSA-N 1 1 376.420 3.241 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc2)C[C@H](C)O1 ZINC000124088177 1414883026 /nfs/dbraw/zinc/88/30/26/1414883026.db2.gz OSMGUYOYNGSAKQ-IYBDPMFKSA-N 1 1 395.459 3.407 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc2)C[C@H](C)O1 ZINC000124088177 1414883029 /nfs/dbraw/zinc/88/30/29/1414883029.db2.gz OSMGUYOYNGSAKQ-IYBDPMFKSA-N 1 1 395.459 3.407 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124171889 1414899720 /nfs/dbraw/zinc/89/97/20/1414899720.db2.gz OTJZYCGCIAYOSV-NVXWUHKLSA-N 1 1 383.448 3.495 20 5 GGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000124331133 1414941459 /nfs/dbraw/zinc/94/14/59/1414941459.db2.gz PKRBUEWVWHGJIG-CYBMUJFWSA-N 1 1 389.905 3.052 20 5 GGBDMO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000124586382 1414999960 /nfs/dbraw/zinc/99/99/60/1414999960.db2.gz FEQBXKGMIURBHO-UHFFFAOYSA-N 1 1 382.420 3.122 20 5 GGBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000124586382 1414999967 /nfs/dbraw/zinc/99/99/67/1414999967.db2.gz FEQBXKGMIURBHO-UHFFFAOYSA-N 1 1 382.420 3.122 20 5 GGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000124946102 1415078453 /nfs/dbraw/zinc/07/84/53/1415078453.db2.gz WQPQYESPVSKVLS-UHFFFAOYSA-N 1 1 383.448 3.041 20 5 GGBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000125036609 1415096530 /nfs/dbraw/zinc/09/65/30/1415096530.db2.gz VHGQFCBGERLHMG-QGZVFWFLSA-N 1 1 382.464 3.321 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000125057418 1415101135 /nfs/dbraw/zinc/10/11/35/1415101135.db2.gz SSQYRQTWPCVWPR-PZJWPPBQSA-N 1 1 383.448 3.430 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000125057418 1415101140 /nfs/dbraw/zinc/10/11/40/1415101140.db2.gz SSQYRQTWPCVWPR-PZJWPPBQSA-N 1 1 383.448 3.430 20 5 GGBDMO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000125899102 1415307752 /nfs/dbraw/zinc/30/77/52/1415307752.db2.gz DUDGRVCKYWTOII-CQSZACIVSA-N 1 1 380.880 3.443 20 5 GGBDMO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000125899102 1415307753 /nfs/dbraw/zinc/30/77/53/1415307753.db2.gz DUDGRVCKYWTOII-CQSZACIVSA-N 1 1 380.880 3.443 20 5 GGBDMO COc1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000125943071 1415318513 /nfs/dbraw/zinc/31/85/13/1415318513.db2.gz QXAJOMMRHIXENF-UHFFFAOYSA-N 1 1 382.420 3.342 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCCc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000126005107 1415334444 /nfs/dbraw/zinc/33/44/44/1415334444.db2.gz SRYVKIQFYWSEDY-IRXDYDNUSA-N 1 1 397.475 3.177 20 5 GGBDMO Cn1c2ccccc2nc1[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000126101613 1415358650 /nfs/dbraw/zinc/35/86/50/1415358650.db2.gz RHOGIGQKQRFXMB-LJQANCHMSA-N 1 1 376.420 3.057 20 5 GGBDMO O=C(C[N@@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000126104778 1415359405 /nfs/dbraw/zinc/35/94/05/1415359405.db2.gz PDOWUMYGJRHRQR-KRWDZBQOSA-N 1 1 395.415 3.414 20 5 GGBDMO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126480275 1415465965 /nfs/dbraw/zinc/46/59/65/1415465965.db2.gz JCEXCKPYOWVYHJ-UZLBHIALSA-N 1 1 398.507 3.284 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000126530912 1415479315 /nfs/dbraw/zinc/47/93/15/1415479315.db2.gz HWMZOBYTWYWPAE-FQEVSTJZSA-N 1 1 396.491 3.301 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000178056869 1428959563 /nfs/dbraw/zinc/95/95/63/1428959563.db2.gz QLOPUSWORHWVIJ-KRWDZBQOSA-N 1 1 383.448 3.116 20 5 GGBDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)c2)CCO1 ZINC000127285738 1415719346 /nfs/dbraw/zinc/71/93/46/1415719346.db2.gz BRGNOIWOVSJXJN-KRWDZBQOSA-N 1 1 397.475 3.065 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)c2)CCO1 ZINC000127285738 1415719355 /nfs/dbraw/zinc/71/93/55/1415719355.db2.gz BRGNOIWOVSJXJN-KRWDZBQOSA-N 1 1 397.475 3.065 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000127571552 1415811479 /nfs/dbraw/zinc/81/14/79/1415811479.db2.gz SWVZJTDDXQBESM-CRAIPNDOSA-N 1 1 398.463 3.066 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000127571041 1415811582 /nfs/dbraw/zinc/81/15/82/1415811582.db2.gz SWVZJTDDXQBESM-QAPCUYQASA-N 1 1 398.463 3.066 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000127709181 1415837437 /nfs/dbraw/zinc/83/74/37/1415837437.db2.gz ZHOQCZHKWKDAEW-INIZCTEOSA-N 1 1 378.473 3.080 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000127743548 1415842274 /nfs/dbraw/zinc/84/22/74/1415842274.db2.gz SNCHGJPYICDTJS-WBVHZDCISA-N 1 1 392.500 3.470 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127817514 1415856457 /nfs/dbraw/zinc/85/64/57/1415856457.db2.gz RITHJPJYVFWUDG-IBGZPJMESA-N 1 1 382.464 3.425 20 5 GGBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000128252259 1415948776 /nfs/dbraw/zinc/94/87/76/1415948776.db2.gz USSQDBAPPHBZHC-JXFKEZNVSA-N 1 1 381.476 3.473 20 5 GGBDMO Cc1cccc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000178246395 1429031880 /nfs/dbraw/zinc/03/18/80/1429031880.db2.gz CIAWPSMLYOQRNE-CALCHBBNSA-N 1 1 389.496 3.255 20 5 GGBDMO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CC(F)(F)F ZINC000128379392 1415974883 /nfs/dbraw/zinc/97/48/83/1415974883.db2.gz QVXHXPBDYAZEJM-CYBMUJFWSA-N 1 1 398.385 3.361 20 5 GGBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CC(F)(F)F ZINC000128379392 1415974886 /nfs/dbraw/zinc/97/48/86/1415974886.db2.gz QVXHXPBDYAZEJM-CYBMUJFWSA-N 1 1 398.385 3.361 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000178249436 1429033208 /nfs/dbraw/zinc/03/32/08/1429033208.db2.gz ZOJLPLLZHGJHTK-CALCHBBNSA-N 1 1 389.496 3.255 20 5 GGBDMO Cc1sc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000178254581 1429034461 /nfs/dbraw/zinc/03/44/61/1429034461.db2.gz ABTODIHISFRIHK-OKILXGFUSA-N 1 1 395.525 3.316 20 5 GGBDMO COCC[N@@H+](C)CC[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000128487972 1415998703 /nfs/dbraw/zinc/99/87/03/1415998703.db2.gz UIHYOXWSVIHPNT-GOSISDBHSA-N 1 1 389.427 3.173 20 5 GGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000128657460 1416035312 /nfs/dbraw/zinc/03/53/12/1416035312.db2.gz UIPKHIXUDQLHND-HNNXBMFYSA-N 1 1 385.420 3.215 20 5 GGBDMO O=C(CCN1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128691277 1416043228 /nfs/dbraw/zinc/04/32/28/1416043228.db2.gz DHZJIXOXXZTUSM-OAHLLOKOSA-N 1 1 378.448 3.013 20 5 GGBDMO C[C@@]1(c2ccccc2)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000128907352 1416098896 /nfs/dbraw/zinc/09/88/96/1416098896.db2.gz ANMPKEMHWXLTEW-FQEVSTJZSA-N 1 1 387.411 3.310 20 5 GGBDMO C[C@@]1(c2ccccc2)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000128907352 1416098902 /nfs/dbraw/zinc/09/89/02/1416098902.db2.gz ANMPKEMHWXLTEW-FQEVSTJZSA-N 1 1 387.411 3.310 20 5 GGBDMO O=C(CC[N@H+]1CCOC2(C1)CCCCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000128926209 1416103245 /nfs/dbraw/zinc/10/32/45/1416103245.db2.gz WEQUKBPCBIKHEU-UHFFFAOYSA-N 1 1 379.432 3.488 20 5 GGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000128928555 1416104592 /nfs/dbraw/zinc/10/45/92/1416104592.db2.gz XTKVWFKVWFCAFK-SJORKVTESA-N 1 1 379.432 3.342 20 5 GGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129572244 1416230125 /nfs/dbraw/zinc/23/01/25/1416230125.db2.gz OOCFKWUUCLCYFR-INIZCTEOSA-N 1 1 375.404 3.240 20 5 GGBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000129684453 1416248125 /nfs/dbraw/zinc/24/81/25/1416248125.db2.gz JTXPFWLWLDXUEJ-MRXNPFEDSA-N 1 1 395.419 3.392 20 5 GGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000129908588 1416283009 /nfs/dbraw/zinc/28/30/09/1416283009.db2.gz PJVLYPXBXFNKQK-AWEZNQCLSA-N 1 1 377.466 3.004 20 5 GGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000129908368 1416283233 /nfs/dbraw/zinc/28/32/33/1416283233.db2.gz PJVLYPXBXFNKQK-CQSZACIVSA-N 1 1 377.466 3.004 20 5 GGBDMO CC(C)(O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000130032621 1416305612 /nfs/dbraw/zinc/30/56/12/1416305612.db2.gz KVQCNMWUIGTOKK-UHFFFAOYSA-N 1 1 389.427 3.336 20 5 GGBDMO O=C(CC[N@@H+]1CCO[C@H](Cc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000130042024 1416307281 /nfs/dbraw/zinc/30/72/81/1416307281.db2.gz KNCYDDOYPICROT-QGZVFWFLSA-N 1 1 387.411 3.006 20 5 GGBDMO O=C(CC[N@H+]1CCO[C@H](Cc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000130042024 1416307287 /nfs/dbraw/zinc/30/72/87/1416307287.db2.gz KNCYDDOYPICROT-QGZVFWFLSA-N 1 1 387.411 3.006 20 5 GGBDMO Cc1nccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000130349667 1416362663 /nfs/dbraw/zinc/36/26/63/1416362663.db2.gz SGBWUFGECDPQAA-LBPRGKRZSA-N 1 1 379.848 3.102 20 5 GGBDMO Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000130349910 1416362935 /nfs/dbraw/zinc/36/29/35/1416362935.db2.gz SGBWUFGECDPQAA-GFCCVEGCSA-N 1 1 379.848 3.102 20 5 GGBDMO COc1cc(C[N@@H+](C)CCCn2ccnc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000130547392 1416397053 /nfs/dbraw/zinc/39/70/53/1416397053.db2.gz RIIONGYDHVHXOS-UHFFFAOYSA-N 1 1 384.383 3.232 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000130772324 1416447392 /nfs/dbraw/zinc/44/73/92/1416447392.db2.gz BVNYTODSOSPNNR-UHFFFAOYSA-N 1 1 385.468 3.252 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000131311907 1416538718 /nfs/dbraw/zinc/53/87/18/1416538718.db2.gz RKSPNBDFDPQANR-IBGZPJMESA-N 1 1 376.840 3.184 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000131311907 1416538723 /nfs/dbraw/zinc/53/87/23/1416538723.db2.gz RKSPNBDFDPQANR-IBGZPJMESA-N 1 1 376.840 3.184 20 5 GGBDMO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+]1CCc2ccccc2C1 ZINC000131323661 1416540050 /nfs/dbraw/zinc/54/00/50/1416540050.db2.gz XKPBHANMAKQKRZ-HNNXBMFYSA-N 1 1 392.459 3.182 20 5 GGBDMO COc1cc(C[NH2+]CCN2CCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131331001 1416541199 /nfs/dbraw/zinc/54/11/99/1416541199.db2.gz LHOUTOYSBLFRIR-UHFFFAOYSA-N 1 1 391.390 3.120 20 5 GGBDMO COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000131966772 1416661646 /nfs/dbraw/zinc/66/16/46/1416661646.db2.gz OKICQJRCRGRBGM-MRXNPFEDSA-N 1 1 383.448 3.340 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000131979560 1416665238 /nfs/dbraw/zinc/66/52/38/1416665238.db2.gz BSZCLRDAOWVPRO-KRWDZBQOSA-N 1 1 383.448 3.097 20 5 GGBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000132371012 1416747416 /nfs/dbraw/zinc/74/74/16/1416747416.db2.gz GXKIBZUSRVMDPM-UHFFFAOYSA-N 1 1 375.375 3.221 20 5 GGBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000132371012 1416747423 /nfs/dbraw/zinc/74/74/23/1416747423.db2.gz GXKIBZUSRVMDPM-UHFFFAOYSA-N 1 1 375.375 3.221 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000132373428 1416748021 /nfs/dbraw/zinc/74/80/21/1416748021.db2.gz JDTUWZMFUBFKSZ-UHFFFAOYSA-N 1 1 387.411 3.091 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000132373428 1416748031 /nfs/dbraw/zinc/74/80/31/1416748031.db2.gz JDTUWZMFUBFKSZ-UHFFFAOYSA-N 1 1 387.411 3.091 20 5 GGBDMO COc1cc(C[NH2+][C@]2(CO)CCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000132458666 1416764726 /nfs/dbraw/zinc/76/47/26/1416764726.db2.gz GPFPZCZIELSAIZ-IBGZPJMESA-N 1 1 394.374 3.128 20 5 GGBDMO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000132486798 1416771345 /nfs/dbraw/zinc/77/13/45/1416771345.db2.gz YRWHQBQIGICZDU-XLIONFOSSA-N 1 1 397.475 3.485 20 5 GGBDMO C[C@H]1C[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000132490297 1416771706 /nfs/dbraw/zinc/77/17/06/1416771706.db2.gz KLONEEYJFLWVEJ-HKUYNNGSSA-N 1 1 397.475 3.485 20 5 GGBDMO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000132500853 1416773564 /nfs/dbraw/zinc/77/35/64/1416773564.db2.gz WXCMTIWGSDNTLC-FUHWJXTLSA-N 1 1 399.495 3.038 20 5 GGBDMO C[C@H]1C[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000132524671 1416778082 /nfs/dbraw/zinc/77/80/82/1416778082.db2.gz VWBWEUADDBFZEV-PKOBYXMFSA-N 1 1 397.475 3.485 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000132532539 1416779953 /nfs/dbraw/zinc/77/99/53/1416779953.db2.gz IZFBVTAXOQNEBU-AZUAARDMSA-N 1 1 385.464 3.125 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000132553204 1416783876 /nfs/dbraw/zinc/78/38/76/1416783876.db2.gz DCIJXBNTKIJYEA-IBGZPJMESA-N 1 1 399.472 3.054 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000132634423 1416797367 /nfs/dbraw/zinc/79/73/67/1416797367.db2.gz WXIRYAHBUPOTGL-INIZCTEOSA-N 1 1 377.441 3.038 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000132634423 1416797373 /nfs/dbraw/zinc/79/73/73/1416797373.db2.gz WXIRYAHBUPOTGL-INIZCTEOSA-N 1 1 377.441 3.038 20 5 GGBDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000132977620 1416837803 /nfs/dbraw/zinc/83/78/03/1416837803.db2.gz MXNOJVLIINIBQD-SFHVURJKSA-N 1 1 399.447 3.239 20 5 GGBDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000132977620 1416837805 /nfs/dbraw/zinc/83/78/05/1416837805.db2.gz MXNOJVLIINIBQD-SFHVURJKSA-N 1 1 399.447 3.239 20 5 GGBDMO Cc1ccc(NCCCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH+]c1 ZINC000133041456 1416845049 /nfs/dbraw/zinc/84/50/49/1416845049.db2.gz PIXXCDINNOJHEJ-UHFFFAOYSA-N 1 1 383.452 3.474 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133191165 1416862616 /nfs/dbraw/zinc/86/26/16/1416862616.db2.gz LBVSPPFTUDCNQT-LJQANCHMSA-N 1 1 384.823 3.184 20 5 GGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000133433385 1416889329 /nfs/dbraw/zinc/88/93/29/1416889329.db2.gz YJKDBPQHSUETNA-SFHVURJKSA-N 1 1 385.439 3.305 20 5 GGBDMO NC(=O)c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000133828148 1416971322 /nfs/dbraw/zinc/97/13/22/1416971322.db2.gz MIRIQMCPHTVOJX-MOPGFXCFSA-N 1 1 394.475 3.185 20 5 GGBDMO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+](C)Cc1ccccc1 ZINC000133978686 1417004904 /nfs/dbraw/zinc/00/49/04/1417004904.db2.gz CTEADMDQZCTINF-HNNXBMFYSA-N 1 1 380.448 3.255 20 5 GGBDMO Cc1nc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000133998607 1417007812 /nfs/dbraw/zinc/00/78/12/1417007812.db2.gz PDWMROGYHYHJCQ-ZIAGYGMSSA-N 1 1 384.436 3.160 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(CN4CCOCC4)CC3)o2)cc1 ZINC000134088827 1417020503 /nfs/dbraw/zinc/02/05/03/1417020503.db2.gz QKPQHOGWKLZZAN-UHFFFAOYSA-N 1 1 385.464 3.399 20 5 GGBDMO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000134147492 1417029506 /nfs/dbraw/zinc/02/95/06/1417029506.db2.gz DUVVUMIIHOUNOR-KRWDZBQOSA-N 1 1 398.463 3.143 20 5 GGBDMO C[N@@H+](CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)Cc1ccccc1 ZINC000134177857 1417033708 /nfs/dbraw/zinc/03/37/08/1417033708.db2.gz LQRNCCKVQNBIKZ-UHFFFAOYSA-N 1 1 382.464 3.401 20 5 GGBDMO CC[C@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000134474095 1417074305 /nfs/dbraw/zinc/07/43/05/1417074305.db2.gz OSAMZXYAXYKHQZ-INIZCTEOSA-N 1 1 391.855 3.460 20 5 GGBDMO CC[C@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000134474095 1417074309 /nfs/dbraw/zinc/07/43/09/1417074309.db2.gz OSAMZXYAXYKHQZ-INIZCTEOSA-N 1 1 391.855 3.460 20 5 GGBDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000134474566 1417074538 /nfs/dbraw/zinc/07/45/38/1417074538.db2.gz QYYQPZLZKMBSMR-GASCZTMLSA-N 1 1 393.459 3.085 20 5 GGBDMO CC[C@@H](O)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000134481023 1417074691 /nfs/dbraw/zinc/07/46/91/1417074691.db2.gz RTHBQGWUWXMXDK-GOSISDBHSA-N 1 1 382.420 3.418 20 5 GGBDMO CC[C@@H](O)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000134481023 1417074696 /nfs/dbraw/zinc/07/46/96/1417074696.db2.gz RTHBQGWUWXMXDK-GOSISDBHSA-N 1 1 382.420 3.418 20 5 GGBDMO CC[C@H](O)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000134486175 1417075812 /nfs/dbraw/zinc/07/58/12/1417075812.db2.gz ZPHSAGGXYAUNOJ-INIZCTEOSA-N 1 1 391.855 3.460 20 5 GGBDMO CC[C@H](O)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000134486175 1417075815 /nfs/dbraw/zinc/07/58/15/1417075815.db2.gz ZPHSAGGXYAUNOJ-INIZCTEOSA-N 1 1 391.855 3.460 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000134630328 1417100703 /nfs/dbraw/zinc/10/07/03/1417100703.db2.gz YPXVGXGUAYSPAT-GJZGRUSLSA-N 1 1 379.457 3.351 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000134630305 1417101371 /nfs/dbraw/zinc/10/13/71/1417101371.db2.gz YPXVGXGUAYSPAT-CABCVRRESA-N 1 1 379.457 3.351 20 5 GGBDMO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@@H+](C)Cc1ccccc1 ZINC000134664134 1417109212 /nfs/dbraw/zinc/10/92/12/1417109212.db2.gz HORGKZXHLVLPOU-INIZCTEOSA-N 1 1 393.447 3.031 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000134669138 1417110649 /nfs/dbraw/zinc/11/06/49/1417110649.db2.gz YNYMRJXQJABAJI-HUUCEWRRSA-N 1 1 379.457 3.351 20 5 GGBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000134766956 1417122694 /nfs/dbraw/zinc/12/26/94/1417122694.db2.gz KSECKVRAHQHCFH-OKILXGFUSA-N 1 1 395.887 3.210 20 5 GGBDMO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000134776761 1417124247 /nfs/dbraw/zinc/12/42/47/1417124247.db2.gz ATBZNNAOWQYOIS-APWZRJJASA-N 1 1 387.411 3.261 20 5 GGBDMO O=C(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000134776761 1417124251 /nfs/dbraw/zinc/12/42/51/1417124251.db2.gz ATBZNNAOWQYOIS-APWZRJJASA-N 1 1 387.411 3.261 20 5 GGBDMO Cc1nccn1C[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000178752637 1429160844 /nfs/dbraw/zinc/16/08/44/1429160844.db2.gz QTOINSBRRKCNBS-GOSISDBHSA-N 1 1 381.436 3.462 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)c1 ZINC000134878623 1417139064 /nfs/dbraw/zinc/13/90/64/1417139064.db2.gz QIRHBGCUCKRKCF-QAPCUYQASA-N 1 1 383.452 3.094 20 5 GGBDMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000178752628 1429161112 /nfs/dbraw/zinc/16/11/12/1429161112.db2.gz QTOINSBRRKCNBS-SFHVURJKSA-N 1 1 381.436 3.462 20 5 GGBDMO O=C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134930018 1417147221 /nfs/dbraw/zinc/14/72/21/1417147221.db2.gz YCOLDBYNRXLHDS-DYVFJYSZSA-N 1 1 392.887 3.135 20 5 GGBDMO O=C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000134929136 1417147320 /nfs/dbraw/zinc/14/73/20/1417147320.db2.gz AWVYBDOIXFTDCX-DYVFJYSZSA-N 1 1 392.887 3.135 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000134933958 1417147948 /nfs/dbraw/zinc/14/79/48/1417147948.db2.gz MPLSCPMXUKBRAY-QAPCUYQASA-N 1 1 383.452 3.094 20 5 GGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178775285 1429167023 /nfs/dbraw/zinc/16/70/23/1429167023.db2.gz NISFGUMGLOPHQR-UHFFFAOYSA-N 1 1 385.464 3.462 20 5 GGBDMO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178775285 1429167028 /nfs/dbraw/zinc/16/70/28/1429167028.db2.gz NISFGUMGLOPHQR-UHFFFAOYSA-N 1 1 385.464 3.462 20 5 GGBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000178786093 1429169709 /nfs/dbraw/zinc/16/97/09/1429169709.db2.gz SWHXPWKIBKATQY-OLZOCXBDSA-N 1 1 390.465 3.014 20 5 GGBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000135803681 1417269800 /nfs/dbraw/zinc/26/98/00/1417269800.db2.gz OFXHKXKVHPQRSY-QGZVFWFLSA-N 1 1 394.475 3.421 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000135995388 1417284542 /nfs/dbraw/zinc/28/45/42/1417284542.db2.gz MEEMGNUJLJUHAU-CABCVRRESA-N 1 1 395.525 3.184 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000136095291 1417291156 /nfs/dbraw/zinc/29/11/56/1417291156.db2.gz MASQFYXXGZRFCL-MRXNPFEDSA-N 1 1 385.468 3.165 20 5 GGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136101364 1417292115 /nfs/dbraw/zinc/29/21/15/1417292115.db2.gz OHQIYOJLNFFOQW-INIZCTEOSA-N 1 1 385.468 3.022 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000136210834 1417301316 /nfs/dbraw/zinc/30/13/16/1417301316.db2.gz NHSMNFHVYPWOSN-LJQANCHMSA-N 1 1 388.468 3.061 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136208194 1417301437 /nfs/dbraw/zinc/30/14/37/1417301437.db2.gz VABQSICUSDRSKX-CALCHBBNSA-N 1 1 399.495 3.268 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178798447 1429174018 /nfs/dbraw/zinc/17/40/18/1429174018.db2.gz RTZNXTJCFPHLCZ-MHZLTWQESA-N 1 1 389.477 3.101 20 5 GGBDMO COc1ccccc1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000136932788 1417356199 /nfs/dbraw/zinc/35/61/99/1417356199.db2.gz YDSFJLPYPDKWKZ-PMACEKPBSA-N 1 1 386.448 3.318 20 5 GGBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000137268229 1417378641 /nfs/dbraw/zinc/37/86/41/1417378641.db2.gz RBWOIPYPISBGKL-ZDUSSCGKSA-N 1 1 381.860 3.012 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000137447666 1417385618 /nfs/dbraw/zinc/38/56/18/1417385618.db2.gz RNTYKRNOSFFSQL-WMZOPIPTSA-N 1 1 383.448 3.143 20 5 GGBDMO Cc1c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137489349 1417388949 /nfs/dbraw/zinc/38/89/49/1417388949.db2.gz DNGHZHKWZXMBSV-XJKSGUPXSA-N 1 1 398.419 3.204 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000138136262 1417405989 /nfs/dbraw/zinc/40/59/89/1417405989.db2.gz QMNDEPAFWDMTRQ-UHFFFAOYSA-N 1 1 393.447 3.162 20 5 GGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000138228218 1417408236 /nfs/dbraw/zinc/40/82/36/1417408236.db2.gz BXAFPYOLYSWLLY-HNNXBMFYSA-N 1 1 385.468 3.021 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000139682472 1417469131 /nfs/dbraw/zinc/46/91/31/1417469131.db2.gz CNWGOIRSIHJQIO-UHFFFAOYSA-N 1 1 397.903 3.459 20 5 GGBDMO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000139792889 1417473697 /nfs/dbraw/zinc/47/36/97/1417473697.db2.gz WQDRJZRBVJYGEF-ZDUSSCGKSA-N 1 1 378.379 3.474 20 5 GGBDMO Nc1c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc(F)cc1[N+](=O)[O-] ZINC000139972223 1417483658 /nfs/dbraw/zinc/48/36/58/1417483658.db2.gz BIMMGBAHVGRIAH-LBPRGKRZSA-N 1 1 392.456 3.020 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000150136970 1417785402 /nfs/dbraw/zinc/78/54/02/1417785402.db2.gz KAEATUODMHUQBZ-INIZCTEOSA-N 1 1 385.420 3.004 20 5 GGBDMO CNC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000150875555 1417825960 /nfs/dbraw/zinc/82/59/60/1417825960.db2.gz CVHGQYFVASGURP-LPHOPBHVSA-N 1 1 396.491 3.444 20 5 GGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150942258 1417840602 /nfs/dbraw/zinc/84/06/02/1417840602.db2.gz ZJMIRILEDZLTCL-LBPRGKRZSA-N 1 1 376.413 3.369 20 5 GGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150942258 1417840603 /nfs/dbraw/zinc/84/06/03/1417840603.db2.gz ZJMIRILEDZLTCL-LBPRGKRZSA-N 1 1 376.413 3.369 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000151138678 1417880057 /nfs/dbraw/zinc/88/00/57/1417880057.db2.gz JWSJZRBQVYJJII-AWEZNQCLSA-N 1 1 391.468 3.366 20 5 GGBDMO CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151380018 1417942384 /nfs/dbraw/zinc/94/23/84/1417942384.db2.gz GVFXGHRZWMUMLT-WOJBJXKFSA-N 1 1 383.448 3.004 20 5 GGBDMO CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151380018 1417942387 /nfs/dbraw/zinc/94/23/87/1417942387.db2.gz GVFXGHRZWMUMLT-WOJBJXKFSA-N 1 1 383.448 3.004 20 5 GGBDMO CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151379883 1417942472 /nfs/dbraw/zinc/94/24/72/1417942472.db2.gz GVFXGHRZWMUMLT-UXHICEINSA-N 1 1 383.448 3.004 20 5 GGBDMO CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151379883 1417942479 /nfs/dbraw/zinc/94/24/79/1417942479.db2.gz GVFXGHRZWMUMLT-UXHICEINSA-N 1 1 383.448 3.004 20 5 GGBDMO CC[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151479358 1417993635 /nfs/dbraw/zinc/99/36/35/1417993635.db2.gz MXIZXESFVGQEEE-WOJBJXKFSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151479358 1417993650 /nfs/dbraw/zinc/99/36/50/1417993650.db2.gz MXIZXESFVGQEEE-WOJBJXKFSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151494921 1418002624 /nfs/dbraw/zinc/00/26/24/1418002624.db2.gz SKQAEZJHACNACW-UYAOXDASSA-N 1 1 383.448 3.004 20 5 GGBDMO CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151494921 1418002634 /nfs/dbraw/zinc/00/26/34/1418002634.db2.gz SKQAEZJHACNACW-UYAOXDASSA-N 1 1 383.448 3.004 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)n2)cc1 ZINC000151741102 1418075722 /nfs/dbraw/zinc/07/57/22/1418075722.db2.gz WYLBEQOTSZQTSM-HZPDHXFCSA-N 1 1 384.392 3.326 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)n2)cc1 ZINC000151741102 1418075726 /nfs/dbraw/zinc/07/57/26/1418075726.db2.gz WYLBEQOTSZQTSM-HZPDHXFCSA-N 1 1 384.392 3.326 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)n2)cc1 ZINC000151741162 1418075865 /nfs/dbraw/zinc/07/58/65/1418075865.db2.gz WYLBEQOTSZQTSM-CVEARBPZSA-N 1 1 384.392 3.326 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)n2)cc1 ZINC000151741162 1418075869 /nfs/dbraw/zinc/07/58/69/1418075869.db2.gz WYLBEQOTSZQTSM-CVEARBPZSA-N 1 1 384.392 3.326 20 5 GGBDMO CN(C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000151788106 1418086957 /nfs/dbraw/zinc/08/69/57/1418086957.db2.gz XNGLAIBPOHBCFB-IBGZPJMESA-N 1 1 396.447 3.013 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)o2)cc1 ZINC000151965011 1418107659 /nfs/dbraw/zinc/10/76/59/1418107659.db2.gz PKMRCADZURPBIO-HZPDHXFCSA-N 1 1 384.392 3.326 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)o2)cc1 ZINC000151965011 1418107661 /nfs/dbraw/zinc/10/76/61/1418107661.db2.gz PKMRCADZURPBIO-HZPDHXFCSA-N 1 1 384.392 3.326 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000152024593 1418123596 /nfs/dbraw/zinc/12/35/96/1418123596.db2.gz PXLKANMXQXBMEV-HZPDHXFCSA-N 1 1 388.468 3.047 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000152075877 1418138675 /nfs/dbraw/zinc/13/86/75/1418138675.db2.gz RFCDQQGBBQOHEY-OAHLLOKOSA-N 1 1 389.402 3.467 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)n2)c1 ZINC000152284810 1418195294 /nfs/dbraw/zinc/19/52/94/1418195294.db2.gz GFHAOQDZLCAXSO-AWEZNQCLSA-N 1 1 395.423 3.020 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)n2)c1 ZINC000152284810 1418195301 /nfs/dbraw/zinc/19/53/01/1418195301.db2.gz GFHAOQDZLCAXSO-AWEZNQCLSA-N 1 1 395.423 3.020 20 5 GGBDMO COC(=O)CCn1nc(C)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000179320385 1429327699 /nfs/dbraw/zinc/32/76/99/1429327699.db2.gz YWMIIFUQQKQFDL-UHFFFAOYSA-N 1 1 388.468 3.382 20 5 GGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000179453450 1429381947 /nfs/dbraw/zinc/38/19/47/1429381947.db2.gz QXPVVRBGDCVSBZ-UHFFFAOYSA-N 1 1 391.493 3.256 20 5 GGBDMO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCc2sccc2C1 ZINC000179496595 1429394926 /nfs/dbraw/zinc/39/49/26/1429394926.db2.gz XHXCHYQIKILHFT-ZDUSSCGKSA-N 1 1 398.488 3.243 20 5 GGBDMO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+]1CCc2sccc2C1 ZINC000179496595 1429394935 /nfs/dbraw/zinc/39/49/35/1429394935.db2.gz XHXCHYQIKILHFT-ZDUSSCGKSA-N 1 1 398.488 3.243 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)n2)cc1 ZINC000179508685 1429401422 /nfs/dbraw/zinc/40/14/22/1429401422.db2.gz NHQNXSJBNLTVEV-CQSZACIVSA-N 1 1 395.423 3.020 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)n2)cc1 ZINC000179508685 1429401429 /nfs/dbraw/zinc/40/14/29/1429401429.db2.gz NHQNXSJBNLTVEV-CQSZACIVSA-N 1 1 395.423 3.020 20 5 GGBDMO Cc1nn(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179543631 1429420901 /nfs/dbraw/zinc/42/09/01/1429420901.db2.gz CNQGUJAPBVJJGJ-HNNXBMFYSA-N 1 1 399.495 3.181 20 5 GGBDMO Cc1nn(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179548304 1429424202 /nfs/dbraw/zinc/42/42/02/1429424202.db2.gz YEKGUWSBTDISLB-OAHLLOKOSA-N 1 1 389.456 3.152 20 5 GGBDMO Cc1nn(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179548304 1429424206 /nfs/dbraw/zinc/42/42/06/1429424206.db2.gz YEKGUWSBTDISLB-OAHLLOKOSA-N 1 1 389.456 3.152 20 5 GGBDMO COc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000179590506 1429457219 /nfs/dbraw/zinc/45/72/19/1429457219.db2.gz MPTZDKYVFNOUJQ-UHFFFAOYSA-N 1 1 393.447 3.316 20 5 GGBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc2ccccc2c2cccnc12 ZINC000179610697 1429470338 /nfs/dbraw/zinc/47/03/38/1429470338.db2.gz WATKCBPDFBXPHG-GOSISDBHSA-N 1 1 377.488 3.355 20 5 GGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000179706111 1429515290 /nfs/dbraw/zinc/51/52/90/1429515290.db2.gz CFLBKXUKTKOKJQ-MRXNPFEDSA-N 1 1 393.447 3.031 20 5 GGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000179717843 1429520536 /nfs/dbraw/zinc/52/05/36/1429520536.db2.gz PPOCFKMYWYHJLI-MRXNPFEDSA-N 1 1 393.447 3.031 20 5 GGBDMO CC[NH+]1CCN(C(=O)Cc2ccc(NCc3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000152415383 1422096831 /nfs/dbraw/zinc/09/68/31/1422096831.db2.gz JSGJGDZMGNBUEF-UHFFFAOYSA-N 1 1 396.491 3.222 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000179754675 1429540415 /nfs/dbraw/zinc/54/04/15/1429540415.db2.gz PVYUALXNKSOABD-MRXNPFEDSA-N 1 1 389.477 3.489 20 5 GGBDMO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000152974070 1422312508 /nfs/dbraw/zinc/31/25/08/1422312508.db2.gz BWLYGBKVEQLXDS-OAHLLOKOSA-N 1 1 381.392 3.084 20 5 GGBDMO Cc1cccc(NC2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000153045038 1422337167 /nfs/dbraw/zinc/33/71/67/1422337167.db2.gz UOLWSMNUSOSYIQ-UHFFFAOYSA-N 1 1 382.464 3.443 20 5 GGBDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000153043367 1422337311 /nfs/dbraw/zinc/33/73/11/1422337311.db2.gz MHZJIGGZEHFUQD-UHFFFAOYSA-N 1 1 386.452 3.329 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c([N+](=O)[O-])cc1OC ZINC000179778255 1429556414 /nfs/dbraw/zinc/55/64/14/1429556414.db2.gz IJVSUNBSZAWHII-AWEZNQCLSA-N 1 1 397.435 3.034 20 5 GGBDMO Cn1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(-c2cccs2)n1 ZINC000179780973 1429559778 /nfs/dbraw/zinc/55/97/78/1429559778.db2.gz LOESVECISGKIEH-UHFFFAOYSA-N 1 1 383.477 3.379 20 5 GGBDMO CN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000153600346 1422640427 /nfs/dbraw/zinc/64/04/27/1422640427.db2.gz AJRRIWANIZNPAY-LBPRGKRZSA-N 1 1 391.415 3.258 20 5 GGBDMO Cc1cc(NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000153842198 1422793113 /nfs/dbraw/zinc/79/31/13/1422793113.db2.gz ILXKPLGHWIRVBX-IYBDPMFKSA-N 1 1 390.484 3.256 20 5 GGBDMO C[C@@H]1C[N@H+](CCC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000153914046 1422809909 /nfs/dbraw/zinc/80/99/09/1422809909.db2.gz VJSFPTKRZUOKFE-OKILXGFUSA-N 1 1 382.892 3.359 20 5 GGBDMO C[C@H](Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000153937112 1422813759 /nfs/dbraw/zinc/81/37/59/1422813759.db2.gz BUOOGIIYFPVKOF-RDJZCZTQSA-N 1 1 397.479 3.329 20 5 GGBDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000154002150 1422824026 /nfs/dbraw/zinc/82/40/26/1422824026.db2.gz NJIYXGCAMRJQSF-HZPDHXFCSA-N 1 1 381.860 3.466 20 5 GGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000154002150 1422824027 /nfs/dbraw/zinc/82/40/27/1422824027.db2.gz NJIYXGCAMRJQSF-HZPDHXFCSA-N 1 1 381.860 3.466 20 5 GGBDMO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000154062792 1422834046 /nfs/dbraw/zinc/83/40/46/1422834046.db2.gz UCOZIJDFHMEOAO-HKUYNNGSSA-N 1 1 398.507 3.284 20 5 GGBDMO C[C@@H]1C[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000154077237 1422836901 /nfs/dbraw/zinc/83/69/01/1422836901.db2.gz OXEXOOAKGPCNNX-MDZRGWNJSA-N 1 1 386.448 3.111 20 5 GGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000154161394 1422848901 /nfs/dbraw/zinc/84/89/01/1422848901.db2.gz JLXAAZOIMFYWSO-GOSISDBHSA-N 1 1 399.495 3.236 20 5 GGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000154260027 1422863441 /nfs/dbraw/zinc/86/34/41/1422863441.db2.gz MXXVTQIZVMYCFW-MRXNPFEDSA-N 1 1 388.512 3.435 20 5 GGBDMO CN(C)C(=O)COc1ccccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154262591 1422863618 /nfs/dbraw/zinc/86/36/18/1422863618.db2.gz MOCCZDLTGDVBLG-UHFFFAOYSA-N 1 1 383.448 3.226 20 5 GGBDMO CN(C)C(=O)COc1ccccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154262591 1422863621 /nfs/dbraw/zinc/86/36/21/1422863621.db2.gz MOCCZDLTGDVBLG-UHFFFAOYSA-N 1 1 383.448 3.226 20 5 GGBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000154399808 1422883784 /nfs/dbraw/zinc/88/37/84/1422883784.db2.gz CZPSRBNIJAPAGA-OLMNPRSZSA-N 1 1 393.484 3.253 20 5 GGBDMO CC[C@@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154550695 1422921425 /nfs/dbraw/zinc/92/14/25/1422921425.db2.gz PVLGKAMCEYDMJC-KUHUBIRLSA-N 1 1 396.447 3.165 20 5 GGBDMO CC[C@@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154550695 1422921426 /nfs/dbraw/zinc/92/14/26/1422921426.db2.gz PVLGKAMCEYDMJC-KUHUBIRLSA-N 1 1 396.447 3.165 20 5 GGBDMO COc1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154613427 1422961970 /nfs/dbraw/zinc/96/19/70/1422961970.db2.gz PAFCOMMVVOKQIM-SFHVURJKSA-N 1 1 386.448 3.387 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000179841048 1429605340 /nfs/dbraw/zinc/60/53/40/1429605340.db2.gz MMIOFNORSWCTPV-OAHLLOKOSA-N 1 1 399.447 3.463 20 5 GGBDMO O=C1N(C[N@H+](CCC(F)(F)F)CC2CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154782140 1423031544 /nfs/dbraw/zinc/03/15/44/1423031544.db2.gz FZZCIFXQDMZLRU-UHFFFAOYSA-N 1 1 386.374 3.459 20 5 GGBDMO O=C1N(C[N@@H+](CCC(F)(F)F)CC2CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154782140 1423031554 /nfs/dbraw/zinc/03/15/54/1423031554.db2.gz FZZCIFXQDMZLRU-UHFFFAOYSA-N 1 1 386.374 3.459 20 5 GGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154848656 1423054191 /nfs/dbraw/zinc/05/41/91/1423054191.db2.gz LYNOMWXFIVLBAP-KRWDZBQOSA-N 1 1 396.447 3.469 20 5 GGBDMO O=C(C[N@@H+]1CCC[C@H](Nc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000155054730 1423136941 /nfs/dbraw/zinc/13/69/41/1423136941.db2.gz ZQPJFVASUOKSHZ-SFHVURJKSA-N 1 1 380.448 3.060 20 5 GGBDMO O=C(C[N@H+]1CCC[C@H](Nc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000155054730 1423136953 /nfs/dbraw/zinc/13/69/53/1423136953.db2.gz ZQPJFVASUOKSHZ-SFHVURJKSA-N 1 1 380.448 3.060 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC(CCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000155078964 1423149613 /nfs/dbraw/zinc/14/96/13/1423149613.db2.gz VFYRBKFMGCLMMI-UHFFFAOYSA-N 1 1 398.511 3.399 20 5 GGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155153741 1423199664 /nfs/dbraw/zinc/19/96/64/1423199664.db2.gz UNVPWITVMDZMKC-LLVKDONJSA-N 1 1 385.262 3.163 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000179931701 1429647780 /nfs/dbraw/zinc/64/77/80/1429647780.db2.gz NPZDVOQTTOUPAH-LLVKDONJSA-N 1 1 377.372 3.040 20 5 GGBDMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000155770199 1423527066 /nfs/dbraw/zinc/52/70/66/1423527066.db2.gz ZFCPUVDKCMRWEV-BXUZGUMPSA-N 1 1 376.413 3.276 20 5 GGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000155816394 1423546097 /nfs/dbraw/zinc/54/60/97/1423546097.db2.gz ZGSSBALNEFLDHO-MRXNPFEDSA-N 1 1 381.436 3.286 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000156083206 1423664424 /nfs/dbraw/zinc/66/44/24/1423664424.db2.gz NSLGJUJQAGPUJM-INMHGKMJSA-N 1 1 376.457 3.009 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000156083083 1423664913 /nfs/dbraw/zinc/66/49/13/1423664913.db2.gz NSLGJUJQAGPUJM-BFYDXBDKSA-N 1 1 376.457 3.009 20 5 GGBDMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000179959513 1429663003 /nfs/dbraw/zinc/66/30/03/1429663003.db2.gz GKLKCYYYIOFUKQ-NSHDSACASA-N 1 1 377.372 3.040 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000156143788 1423692388 /nfs/dbraw/zinc/69/23/88/1423692388.db2.gz BVHLCICQNXNBMQ-MRXNPFEDSA-N 1 1 385.439 3.399 20 5 GGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156347657 1423790334 /nfs/dbraw/zinc/79/03/34/1423790334.db2.gz FJILTTBBEPJIOI-GUYCJALGSA-N 1 1 381.392 3.254 20 5 GGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156347657 1423790345 /nfs/dbraw/zinc/79/03/45/1423790345.db2.gz FJILTTBBEPJIOI-GUYCJALGSA-N 1 1 381.392 3.254 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000156351680 1423793283 /nfs/dbraw/zinc/79/32/83/1423793283.db2.gz WYIGCPOLFZVZNK-CQSZACIVSA-N 1 1 395.362 3.253 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000156351680 1423793294 /nfs/dbraw/zinc/79/32/94/1423793294.db2.gz WYIGCPOLFZVZNK-CQSZACIVSA-N 1 1 395.362 3.253 20 5 GGBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000156492530 1423818212 /nfs/dbraw/zinc/81/82/12/1423818212.db2.gz LQXZBXZEQBPVJV-HNNXBMFYSA-N 1 1 398.463 3.146 20 5 GGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000156492530 1423818213 /nfs/dbraw/zinc/81/82/13/1423818213.db2.gz LQXZBXZEQBPVJV-HNNXBMFYSA-N 1 1 398.463 3.146 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000156541903 1423825218 /nfs/dbraw/zinc/82/52/18/1423825218.db2.gz OTAZTTJLKNUPFL-UHFFFAOYSA-N 1 1 398.463 3.147 20 5 GGBDMO C[C@H]1C[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000156998647 1423899564 /nfs/dbraw/zinc/89/95/64/1423899564.db2.gz KIAJXVNOVBVEDK-OXJNMPFZSA-N 1 1 396.491 3.179 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000157570306 1424040512 /nfs/dbraw/zinc/04/05/12/1424040512.db2.gz ONWBKVRNVLNWHL-AWEZNQCLSA-N 1 1 392.475 3.433 20 5 GGBDMO COc1cccc([C@@H](O)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)c1 ZINC000157664443 1424060993 /nfs/dbraw/zinc/06/09/93/1424060993.db2.gz VGPDNOCJADXLNS-NRFANRHFSA-N 1 1 396.447 3.036 20 5 GGBDMO COc1cccc([C@H](O)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)c1 ZINC000157781712 1424087359 /nfs/dbraw/zinc/08/73/59/1424087359.db2.gz SCGJQMORUMWASH-HXUWFJFHSA-N 1 1 396.447 3.036 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000157988124 1424135218 /nfs/dbraw/zinc/13/52/18/1424135218.db2.gz USMADBAPMRDVFX-OAHLLOKOSA-N 1 1 399.447 3.430 20 5 GGBDMO COc1ccccc1[C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000158013036 1424139278 /nfs/dbraw/zinc/13/92/78/1424139278.db2.gz VFNBZRRGFOZKHD-HNNXBMFYSA-N 1 1 397.431 3.391 20 5 GGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000158069571 1424156666 /nfs/dbraw/zinc/15/66/66/1424156666.db2.gz LBCBGXIMEYEVHT-UHFFFAOYSA-N 1 1 396.363 3.261 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000158109715 1424169210 /nfs/dbraw/zinc/16/92/10/1424169210.db2.gz SYVHKELQUFOHHO-CABCVRRESA-N 1 1 399.447 3.429 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000158109715 1424169217 /nfs/dbraw/zinc/16/92/17/1424169217.db2.gz SYVHKELQUFOHHO-CABCVRRESA-N 1 1 399.447 3.429 20 5 GGBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000158292456 1424218906 /nfs/dbraw/zinc/21/89/06/1424218906.db2.gz ODBMIAQUXYWRET-KURKYZTESA-N 1 1 387.436 3.061 20 5 GGBDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000158399260 1424245369 /nfs/dbraw/zinc/24/53/69/1424245369.db2.gz MWKSAIFPHLNUPZ-IBGZPJMESA-N 1 1 399.487 3.181 20 5 GGBDMO CCC[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158489424 1424270517 /nfs/dbraw/zinc/27/05/17/1424270517.db2.gz RWYYTSHIMNTVRN-HXUWFJFHSA-N 1 1 383.496 3.373 20 5 GGBDMO Cn1cc(C[NH+]2CCN(c3ccccc3O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158519408 1424278292 /nfs/dbraw/zinc/27/82/92/1424278292.db2.gz ARYVXQMNTIZKTA-UHFFFAOYSA-N 1 1 393.447 3.023 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158552020 1424287867 /nfs/dbraw/zinc/28/78/67/1424287867.db2.gz ALZGOJHKBVSTMV-QFIPXVFZSA-N 1 1 395.459 3.406 20 5 GGBDMO CCOc1cc(C[N@@H+](C)C(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000158740487 1424331706 /nfs/dbraw/zinc/33/17/06/1424331706.db2.gz PVTOHSRGLFCVCA-UHFFFAOYSA-N 1 1 376.457 3.418 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000158792275 1424343167 /nfs/dbraw/zinc/34/31/67/1424343167.db2.gz ZXTZFRGBAMTLNS-HXUWFJFHSA-N 1 1 378.432 3.404 20 5 GGBDMO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159555920 1424512774 /nfs/dbraw/zinc/51/27/74/1424512774.db2.gz BEDJGLQQNFPDTI-OAQYLSRUSA-N 1 1 396.491 3.443 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000159777148 1424534290 /nfs/dbraw/zinc/53/42/90/1424534290.db2.gz NOZVQFBKGISPDR-OAQYLSRUSA-N 1 1 375.428 3.404 20 5 GGBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000160434644 1424603895 /nfs/dbraw/zinc/60/38/95/1424603895.db2.gz ZZQNPALGMADZGP-UHFFFAOYSA-N 1 1 391.431 3.499 20 5 GGBDMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160653239 1424623437 /nfs/dbraw/zinc/62/34/37/1424623437.db2.gz ULSNCQLJZFOYGR-UHFFFAOYSA-N 1 1 393.365 3.407 20 5 GGBDMO CC1CC[NH+](C2CCC(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000160947025 1424647093 /nfs/dbraw/zinc/64/70/93/1424647093.db2.gz SIZBZNGPKNSFIA-UHFFFAOYSA-N 1 1 399.488 3.055 20 5 GGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000161029583 1424653991 /nfs/dbraw/zinc/65/39/91/1424653991.db2.gz ROUVFAJQNJOCSP-FQEVSTJZSA-N 1 1 396.491 3.001 20 5 GGBDMO CCN(CC)C(=O)C1([NH2+]Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000161172979 1424664710 /nfs/dbraw/zinc/66/47/10/1424664710.db2.gz RNXNDFLSXCTWDW-UHFFFAOYSA-N 1 1 387.484 3.371 20 5 GGBDMO CC[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000161261527 1424670969 /nfs/dbraw/zinc/67/09/69/1424670969.db2.gz SRSSKPASXBVJJJ-FQEVSTJZSA-N 1 1 384.480 3.127 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000161866361 1424782841 /nfs/dbraw/zinc/78/28/41/1424782841.db2.gz BPMFYSPFLBPAIJ-INIZCTEOSA-N 1 1 391.468 3.287 20 5 GGBDMO CC(C)NC(=O)c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000161882558 1424786653 /nfs/dbraw/zinc/78/66/53/1424786653.db2.gz YYOUUWWVIMTFAQ-AEFFLSMTSA-N 1 1 386.496 3.186 20 5 GGBDMO O=C(c1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000161926846 1424798757 /nfs/dbraw/zinc/79/87/57/1424798757.db2.gz IBHGVUMSFZXJIE-UZLBHIALSA-N 1 1 398.507 3.284 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1SC ZINC000161961949 1424803669 /nfs/dbraw/zinc/80/36/69/1424803669.db2.gz PQQJKRZMYGTKTM-CYBMUJFWSA-N 1 1 381.498 3.033 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000162004372 1424807921 /nfs/dbraw/zinc/80/79/21/1424807921.db2.gz BSZKZHDTZNPGCN-CQSZACIVSA-N 1 1 388.424 3.200 20 5 GGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000162004372 1424807925 /nfs/dbraw/zinc/80/79/25/1424807925.db2.gz BSZKZHDTZNPGCN-CQSZACIVSA-N 1 1 388.424 3.200 20 5 GGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000162812010 1424893026 /nfs/dbraw/zinc/89/30/26/1424893026.db2.gz JNYDPPZZLOILLM-HNNXBMFYSA-N 1 1 395.525 3.041 20 5 GGBDMO CCOCCCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163308956 1424977299 /nfs/dbraw/zinc/97/72/99/1424977299.db2.gz JUTRLPZPGRAHQE-UHFFFAOYSA-N 1 1 383.876 3.003 20 5 GGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163452542 1425001772 /nfs/dbraw/zinc/00/17/72/1425001772.db2.gz JDYAMFHSYIPZLH-UHFFFAOYSA-N 1 1 394.475 3.327 20 5 GGBDMO Cc1c([C@H](C)[NH2+]CC2CCN(CC(=O)NC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000163519799 1425012098 /nfs/dbraw/zinc/01/20/98/1425012098.db2.gz XBVKYDBWGOOBFE-INIZCTEOSA-N 1 1 390.528 3.181 20 5 GGBDMO CCOc1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000163593891 1425022520 /nfs/dbraw/zinc/02/25/20/1425022520.db2.gz FXASONDHDKYTDS-OAHLLOKOSA-N 1 1 393.484 3.100 20 5 GGBDMO CCOc1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000163593764 1425022585 /nfs/dbraw/zinc/02/25/85/1425022585.db2.gz FXASONDHDKYTDS-HNNXBMFYSA-N 1 1 393.484 3.100 20 5 GGBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000170912991 1425388284 /nfs/dbraw/zinc/38/82/84/1425388284.db2.gz MHKZUGFJZFOINH-QGZVFWFLSA-N 1 1 398.463 3.031 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000170917690 1425390073 /nfs/dbraw/zinc/39/00/73/1425390073.db2.gz IKYBVUMRMGOUFA-OAHLLOKOSA-N 1 1 379.457 3.162 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000170919333 1425392635 /nfs/dbraw/zinc/39/26/35/1425392635.db2.gz DZJYIGOCYHFHGE-HNNXBMFYSA-N 1 1 379.457 3.162 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000170919382 1425392895 /nfs/dbraw/zinc/39/28/95/1425392895.db2.gz UOMAHVOSLANGFT-HNNXBMFYSA-N 1 1 379.457 3.162 20 5 GGBDMO COc1cc(C[NH2+]CCN2CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000171127658 1425496077 /nfs/dbraw/zinc/49/60/77/1425496077.db2.gz FWFCCHFDTYLETK-UHFFFAOYSA-N 1 1 385.464 3.368 20 5 GGBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Br)Cc1ccccc1 ZINC000171325542 1425617553 /nfs/dbraw/zinc/61/75/53/1425617553.db2.gz ZPPKKQYOOZIPKT-UHFFFAOYSA-N 1 1 392.253 3.219 20 5 GGBDMO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000171399818 1425662116 /nfs/dbraw/zinc/66/21/16/1425662116.db2.gz YADVTJZHYRMJPH-CQSZACIVSA-N 1 1 385.468 3.185 20 5 GGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171473994 1425695861 /nfs/dbraw/zinc/69/58/61/1425695861.db2.gz GEBNAMSWEBJJTD-IBGZPJMESA-N 1 1 396.491 3.301 20 5 GGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171473996 1425696151 /nfs/dbraw/zinc/69/61/51/1425696151.db2.gz GEBNAMSWEBJJTD-LJQANCHMSA-N 1 1 396.491 3.301 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171506569 1425708245 /nfs/dbraw/zinc/70/82/45/1425708245.db2.gz SORHCMKSFACLMA-KRWDZBQOSA-N 1 1 398.463 3.290 20 5 GGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171564840 1425738978 /nfs/dbraw/zinc/73/89/78/1425738978.db2.gz LFFTVSOXSBYBAR-FQEVSTJZSA-N 1 1 396.491 3.001 20 5 GGBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000171786629 1425820287 /nfs/dbraw/zinc/82/02/87/1425820287.db2.gz BFGMZDLQJDZTOO-UHFFFAOYSA-N 1 1 376.504 3.098 20 5 GGBDMO CN(C(=O)C[NH+]1CCC(COc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000171830254 1425830700 /nfs/dbraw/zinc/83/07/00/1425830700.db2.gz GNMQUYBWJLDOAF-UHFFFAOYSA-N 1 1 383.448 3.349 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000171881143 1425841537 /nfs/dbraw/zinc/84/15/37/1425841537.db2.gz PFEHRCQBINUXGC-INIZCTEOSA-N 1 1 393.447 3.031 20 5 GGBDMO CCCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(=O)Nc1cc(C)on1 ZINC000171979380 1425866620 /nfs/dbraw/zinc/86/66/20/1425866620.db2.gz YGHRAGSEPLIUOC-HNNXBMFYSA-N 1 1 376.413 3.187 20 5 GGBDMO Cc1cc(S(=O)(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000172021603 1425876386 /nfs/dbraw/zinc/87/63/86/1425876386.db2.gz NWLHPOPQXVTPSW-DLBZAZTESA-N 1 1 395.525 3.178 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000172078836 1425890719 /nfs/dbraw/zinc/89/07/19/1425890719.db2.gz NRQHGBGUAXPEHA-UHFFFAOYSA-N 1 1 377.828 3.370 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000172078836 1425890724 /nfs/dbraw/zinc/89/07/24/1425890724.db2.gz NRQHGBGUAXPEHA-UHFFFAOYSA-N 1 1 377.828 3.370 20 5 GGBDMO C[C@@H](c1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000172250464 1425967485 /nfs/dbraw/zinc/96/74/85/1425967485.db2.gz NRUOFCZVWPVJAZ-HNNXBMFYSA-N 1 1 384.436 3.310 20 5 GGBDMO Cc1nc(C[NH+]2CCC(C(=O)N3CCc4c3cccc4[N+](=O)[O-])CC2)cs1 ZINC000172361333 1426014879 /nfs/dbraw/zinc/01/48/79/1426014879.db2.gz YKLZJJHXGCBRLR-UHFFFAOYSA-N 1 1 386.477 3.161 20 5 GGBDMO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172418393 1426034458 /nfs/dbraw/zinc/03/44/58/1426034458.db2.gz JWRYFMVHWWFRTG-UHFFFAOYSA-N 1 1 386.496 3.286 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000172694384 1426147171 /nfs/dbraw/zinc/14/71/71/1426147171.db2.gz LQPUPKNJHDPYKP-KRWDZBQOSA-N 1 1 382.464 3.401 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000172694861 1426147622 /nfs/dbraw/zinc/14/76/22/1426147622.db2.gz QOEWGCNCACWDRV-QGZVFWFLSA-N 1 1 382.464 3.401 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000172809497 1426199109 /nfs/dbraw/zinc/19/91/09/1426199109.db2.gz TZEBYCOENIQFLJ-QGZVFWFLSA-N 1 1 394.475 3.438 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000172809492 1426199353 /nfs/dbraw/zinc/19/93/53/1426199353.db2.gz TZEBYCOENIQFLJ-KRWDZBQOSA-N 1 1 394.475 3.438 20 5 GGBDMO COc1ccc([C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000172899724 1426245886 /nfs/dbraw/zinc/24/58/86/1426245886.db2.gz BMBKKYUIQDSLBC-KRWDZBQOSA-N 1 1 379.420 3.309 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172903333 1426249392 /nfs/dbraw/zinc/24/93/92/1426249392.db2.gz CLLVPVPIDIHZPB-QGZVFWFLSA-N 1 1 392.463 3.017 20 5 GGBDMO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)nc1-c1ccncc1 ZINC000172971381 1426288359 /nfs/dbraw/zinc/28/83/59/1426288359.db2.gz FLVPYEXAAAMKNC-GOSISDBHSA-N 1 1 393.447 3.350 20 5 GGBDMO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)nc1-c1ccncc1 ZINC000172971381 1426288368 /nfs/dbraw/zinc/28/83/68/1426288368.db2.gz FLVPYEXAAAMKNC-GOSISDBHSA-N 1 1 393.447 3.350 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000173068792 1426330646 /nfs/dbraw/zinc/33/06/46/1426330646.db2.gz PWAQZBHNQJUQJY-OAQYLSRUSA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000173068792 1426330653 /nfs/dbraw/zinc/33/06/53/1426330653.db2.gz PWAQZBHNQJUQJY-OAQYLSRUSA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000173068792 1426330660 /nfs/dbraw/zinc/33/06/60/1426330660.db2.gz PWAQZBHNQJUQJY-OAQYLSRUSA-N 1 1 396.491 3.012 20 5 GGBDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])cc2)CC1 ZINC000173087396 1426336792 /nfs/dbraw/zinc/33/67/92/1426336792.db2.gz JGEYZKUVEGYBMC-UHFFFAOYSA-N 1 1 382.464 3.293 20 5 GGBDMO C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000173181366 1426380919 /nfs/dbraw/zinc/38/09/19/1426380919.db2.gz WDFQGIZINCWYCU-ZDUSSCGKSA-N 1 1 381.860 3.012 20 5 GGBDMO Cc1cc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000173206629 1426394011 /nfs/dbraw/zinc/39/40/11/1426394011.db2.gz GLNUGAUZWOPSEJ-MRXNPFEDSA-N 1 1 382.464 3.222 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000173234249 1426420627 /nfs/dbraw/zinc/42/06/27/1426420627.db2.gz MCRAEFNTVNCHDT-UHFFFAOYSA-N 1 1 388.512 3.430 20 5 GGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000173264401 1426442512 /nfs/dbraw/zinc/44/25/12/1426442512.db2.gz YCYCEVBAIIEWSU-SFHVURJKSA-N 1 1 386.496 3.189 20 5 GGBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000173305875 1426487368 /nfs/dbraw/zinc/48/73/68/1426487368.db2.gz XPPWROXQEYJBPZ-UHFFFAOYSA-N 1 1 398.463 3.066 20 5 GGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000173305875 1426487384 /nfs/dbraw/zinc/48/73/84/1426487384.db2.gz XPPWROXQEYJBPZ-UHFFFAOYSA-N 1 1 398.463 3.066 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)[C@@H]3CCc4ccccc43)o2)cc1 ZINC000173387357 1426565420 /nfs/dbraw/zinc/56/54/20/1426565420.db2.gz AMLHPWXLEYKICZ-GOSISDBHSA-N 1 1 380.404 3.127 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCO)[C@@H]3CCc4ccccc43)o2)cc1 ZINC000173387357 1426565438 /nfs/dbraw/zinc/56/54/38/1426565438.db2.gz AMLHPWXLEYKICZ-GOSISDBHSA-N 1 1 380.404 3.127 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000173412942 1426596482 /nfs/dbraw/zinc/59/64/82/1426596482.db2.gz YEMLKYOGRSQTBB-HXUWFJFHSA-N 1 1 385.464 3.361 20 5 GGBDMO CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173467939 1426643270 /nfs/dbraw/zinc/64/32/70/1426643270.db2.gz DGLCYMKIRIUOSQ-GOSISDBHSA-N 1 1 397.479 3.062 20 5 GGBDMO COc1cc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000173514969 1426685023 /nfs/dbraw/zinc/68/50/23/1426685023.db2.gz LQTPSEGNEDALRB-INIZCTEOSA-N 1 1 383.448 3.340 20 5 GGBDMO C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000173531122 1426705264 /nfs/dbraw/zinc/70/52/64/1426705264.db2.gz IIYAXFTUVUTOFL-KRWDZBQOSA-N 1 1 383.448 3.097 20 5 GGBDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173621519 1426800739 /nfs/dbraw/zinc/80/07/39/1426800739.db2.gz ZYGOHOBMFVCTKC-YVEFUNNKSA-N 1 1 398.385 3.397 20 5 GGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173637656 1426805577 /nfs/dbraw/zinc/80/55/77/1426805577.db2.gz HCCKQTRPLFCOLP-KGLIPLIRSA-N 1 1 382.892 3.381 20 5 GGBDMO C[NH+](C)[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000173641086 1426806881 /nfs/dbraw/zinc/80/68/81/1426806881.db2.gz KGCBAKNDHHVYEF-HXUWFJFHSA-N 1 1 383.448 3.268 20 5 GGBDMO O=C1[C@H]([N@H+]2CC[C@H](COCc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000173655116 1426811683 /nfs/dbraw/zinc/81/16/83/1426811683.db2.gz NWKXGVFKDMBYHM-GHTZIAJQSA-N 1 1 395.459 3.239 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000173656433 1426811869 /nfs/dbraw/zinc/81/18/69/1426811869.db2.gz PSTXKDCDVQADJX-QGZVFWFLSA-N 1 1 399.447 3.081 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000173656433 1426811870 /nfs/dbraw/zinc/81/18/70/1426811870.db2.gz PSTXKDCDVQADJX-QGZVFWFLSA-N 1 1 399.447 3.081 20 5 GGBDMO O=C(C[N@H+]1CC[C@@H](COCc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173657071 1426812442 /nfs/dbraw/zinc/81/24/42/1426812442.db2.gz BRDAHBDBYRRFTL-GOSISDBHSA-N 1 1 395.459 3.023 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccccc2F)C2CCCCC2)c1 ZINC000173666281 1426814562 /nfs/dbraw/zinc/81/45/62/1426814562.db2.gz BYNGFOGGVXYDDB-GOSISDBHSA-N 1 1 376.432 3.126 20 5 GGBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173693126 1426822772 /nfs/dbraw/zinc/82/27/72/1426822772.db2.gz AGJVHNCOGRLGKG-HNNXBMFYSA-N 1 1 383.448 3.056 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000173695336 1426823514 /nfs/dbraw/zinc/82/35/14/1426823514.db2.gz CTGHXOFIRXDGCA-AWEZNQCLSA-N 1 1 387.436 3.114 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000173695336 1426823515 /nfs/dbraw/zinc/82/35/15/1426823515.db2.gz CTGHXOFIRXDGCA-AWEZNQCLSA-N 1 1 387.436 3.114 20 5 GGBDMO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173708568 1426828013 /nfs/dbraw/zinc/82/80/13/1426828013.db2.gz ZZWBJIXRKVXJAD-KRWDZBQOSA-N 1 1 398.419 3.240 20 5 GGBDMO COc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000173714092 1426829585 /nfs/dbraw/zinc/82/95/85/1426829585.db2.gz CGEVTKRYUGIEHQ-GOSISDBHSA-N 1 1 383.448 3.340 20 5 GGBDMO O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173799672 1426854278 /nfs/dbraw/zinc/85/42/78/1426854278.db2.gz QSZUFZYWIAHURK-NRFANRHFSA-N 1 1 395.459 3.458 20 5 GGBDMO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000173799545 1426854372 /nfs/dbraw/zinc/85/43/72/1426854372.db2.gz NKMYXOIHVYCHCU-HNNXBMFYSA-N 1 1 387.480 3.228 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000173804762 1426855879 /nfs/dbraw/zinc/85/58/79/1426855879.db2.gz AOHCGSSFCOPBSZ-CYBMUJFWSA-N 1 1 381.498 3.129 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000173817318 1426859612 /nfs/dbraw/zinc/85/96/12/1426859612.db2.gz RJMZYDOWZHWBLY-KRWDZBQOSA-N 1 1 388.512 3.002 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000173959066 1426910133 /nfs/dbraw/zinc/91/01/33/1426910133.db2.gz INUSLUHVQLXRAJ-UHFFFAOYSA-N 1 1 378.454 3.140 20 5 GGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173972937 1426917631 /nfs/dbraw/zinc/91/76/31/1426917631.db2.gz CCYQHYDJSGODRP-MJGOQNOKSA-N 1 1 396.491 3.376 20 5 GGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173972928 1426918177 /nfs/dbraw/zinc/91/81/77/1426918177.db2.gz CCYQHYDJSGODRP-HKUYNNGSSA-N 1 1 396.491 3.376 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000174006391 1426938954 /nfs/dbraw/zinc/93/89/54/1426938954.db2.gz FXZPNWFKEBMXQH-KXBFYZLASA-N 1 1 399.447 3.394 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000174006391 1426938959 /nfs/dbraw/zinc/93/89/59/1426938959.db2.gz FXZPNWFKEBMXQH-KXBFYZLASA-N 1 1 399.447 3.394 20 5 GGBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174049300 1426971009 /nfs/dbraw/zinc/97/10/09/1426971009.db2.gz FQUKJPMXEOXXFZ-IBGZPJMESA-N 1 1 396.491 3.397 20 5 GGBDMO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174210446 1427052736 /nfs/dbraw/zinc/05/27/36/1427052736.db2.gz JXWNELXBIDKZKU-HXUWFJFHSA-N 1 1 382.464 3.401 20 5 GGBDMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242324 1427065413 /nfs/dbraw/zinc/06/54/13/1427065413.db2.gz LWKVWXVEUKNWGF-HZPDHXFCSA-N 1 1 375.469 3.228 20 5 GGBDMO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCc2ccccc21 ZINC000174244863 1427066881 /nfs/dbraw/zinc/06/68/81/1427066881.db2.gz HMTGRIKBWGCGRM-UHFFFAOYSA-N 1 1 381.432 3.027 20 5 GGBDMO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244813 1427066925 /nfs/dbraw/zinc/06/69/25/1427066925.db2.gz HQEOQHPOCRFVRR-FQEVSTJZSA-N 1 1 383.448 3.268 20 5 GGBDMO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244802 1427067012 /nfs/dbraw/zinc/06/70/12/1427067012.db2.gz HQEOQHPOCRFVRR-HXUWFJFHSA-N 1 1 383.448 3.268 20 5 GGBDMO Cc1cccc(CNC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174247169 1427068344 /nfs/dbraw/zinc/06/83/44/1427068344.db2.gz TWNXSHCBJHWQLM-UHFFFAOYSA-N 1 1 383.448 3.063 20 5 GGBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000174362127 1427119966 /nfs/dbraw/zinc/11/99/66/1427119966.db2.gz GHWIAGVJLKDGKQ-MRXNPFEDSA-N 1 1 391.471 3.097 20 5 GGBDMO COc1ccc(OCCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174403745 1427141817 /nfs/dbraw/zinc/14/18/17/1427141817.db2.gz FFBJBDYHRPDCCL-IBGZPJMESA-N 1 1 399.491 3.436 20 5 GGBDMO C[N@H+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000174567040 1427228393 /nfs/dbraw/zinc/22/83/93/1427228393.db2.gz AWYGCPCKJOMZHC-UHFFFAOYSA-N 1 1 386.496 3.286 20 5 GGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)cc1 ZINC000174802687 1427377849 /nfs/dbraw/zinc/37/78/49/1427377849.db2.gz QMIJYKGUHRRNKI-LJQANCHMSA-N 1 1 378.375 3.450 20 5 GGBDMO C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000174806920 1427379184 /nfs/dbraw/zinc/37/91/84/1427379184.db2.gz FNSQABDSTOLDDA-XHSDSOJGSA-N 1 1 375.469 3.226 20 5 GGBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)COc1cccc2ccccc21 ZINC000174842646 1427400970 /nfs/dbraw/zinc/40/09/70/1427400970.db2.gz YWIXUDCOHHSXCA-IBGZPJMESA-N 1 1 398.463 3.095 20 5 GGBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174945802 1427460230 /nfs/dbraw/zinc/46/02/30/1427460230.db2.gz AHNKYZNXSGKNGQ-SFHVURJKSA-N 1 1 396.491 3.255 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174949021 1427461681 /nfs/dbraw/zinc/46/16/81/1427461681.db2.gz APESYAJQEIWHKR-QGZVFWFLSA-N 1 1 383.448 3.198 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000174950989 1427462498 /nfs/dbraw/zinc/46/24/98/1427462498.db2.gz PIBNVYZEWNXBHN-KBPBESRZSA-N 1 1 382.892 3.239 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000174972174 1427473446 /nfs/dbraw/zinc/47/34/46/1427473446.db2.gz FMNVAKNXVMOYQN-LJQANCHMSA-N 1 1 396.491 3.012 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175169623 1427579951 /nfs/dbraw/zinc/57/99/51/1427579951.db2.gz WQFCIAXDNCHBIZ-GOSISDBHSA-N 1 1 382.464 3.258 20 5 GGBDMO C[C@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000175267833 1427635895 /nfs/dbraw/zinc/63/58/95/1427635895.db2.gz FSVZMPKPEUZZAQ-KRWDZBQOSA-N 1 1 382.464 3.401 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000175286179 1427647928 /nfs/dbraw/zinc/64/79/28/1427647928.db2.gz VMJGKYXAZYWAFL-KRWDZBQOSA-N 1 1 382.464 3.161 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000175329789 1427683055 /nfs/dbraw/zinc/68/30/55/1427683055.db2.gz NOBXSZBGRMIBKV-UHFFFAOYSA-N 1 1 397.475 3.440 20 5 GGBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])c1 ZINC000175498246 1427790304 /nfs/dbraw/zinc/79/03/04/1427790304.db2.gz DVYVTAOIXYVADP-HNNXBMFYSA-N 1 1 397.435 3.256 20 5 GGBDMO C[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000175539182 1427808796 /nfs/dbraw/zinc/80/87/96/1427808796.db2.gz BMRKRZDLOOGUBC-UZLBHIALSA-N 1 1 383.448 3.063 20 5 GGBDMO C[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000175539182 1427808797 /nfs/dbraw/zinc/80/87/97/1427808797.db2.gz BMRKRZDLOOGUBC-UZLBHIALSA-N 1 1 383.448 3.063 20 5 GGBDMO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175652191 1427845429 /nfs/dbraw/zinc/84/54/29/1427845429.db2.gz PMTHUXWJMFQJCW-UHFFFAOYSA-N 1 1 395.887 3.261 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000175669330 1427851178 /nfs/dbraw/zinc/85/11/78/1427851178.db2.gz CJYZVFBKDQKGHQ-XHSDSOJGSA-N 1 1 392.500 3.151 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000175669330 1427851180 /nfs/dbraw/zinc/85/11/80/1427851180.db2.gz CJYZVFBKDQKGHQ-XHSDSOJGSA-N 1 1 392.500 3.151 20 5 GGBDMO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000175706760 1427865681 /nfs/dbraw/zinc/86/56/81/1427865681.db2.gz CUXLOLNMRLVOKO-UHFFFAOYSA-N 1 1 397.435 3.035 20 5 GGBDMO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000175706760 1427865684 /nfs/dbraw/zinc/86/56/84/1427865684.db2.gz CUXLOLNMRLVOKO-UHFFFAOYSA-N 1 1 397.435 3.035 20 5 GGBDMO Cc1ccc(N2CCC(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000175736987 1427874273 /nfs/dbraw/zinc/87/42/73/1427874273.db2.gz FZUATDROBMUBSC-HNNXBMFYSA-N 1 1 383.452 3.327 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175815076 1427907040 /nfs/dbraw/zinc/90/70/40/1427907040.db2.gz YJOQCVVLJBQDLD-PBHICJAKSA-N 1 1 389.477 3.491 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175815076 1427907042 /nfs/dbraw/zinc/90/70/42/1427907042.db2.gz YJOQCVVLJBQDLD-PBHICJAKSA-N 1 1 389.477 3.491 20 5 GGBDMO CSc1ccc(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000175923043 1427974485 /nfs/dbraw/zinc/97/44/85/1427974485.db2.gz ZVUOVCHDTGVWLP-CQSZACIVSA-N 1 1 393.509 3.080 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000175936511 1427983180 /nfs/dbraw/zinc/98/31/80/1427983180.db2.gz YPSHYPDURHXPFH-CQSZACIVSA-N 1 1 394.435 3.353 20 5 GGBDMO CN(C(=O)C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000175958600 1427998078 /nfs/dbraw/zinc/99/80/78/1427998078.db2.gz FBGFRRUAXWYHIP-OAQYLSRUSA-N 1 1 397.475 3.281 20 5 GGBDMO CN(C(=O)C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000175958600 1427998084 /nfs/dbraw/zinc/99/80/84/1427998084.db2.gz FBGFRRUAXWYHIP-OAQYLSRUSA-N 1 1 397.475 3.281 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000175981765 1428011370 /nfs/dbraw/zinc/01/13/70/1428011370.db2.gz XGUPDVYAIHUOOK-UHFFFAOYSA-N 1 1 389.843 3.054 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176136434 1428109874 /nfs/dbraw/zinc/10/98/74/1428109874.db2.gz MFIBIESFJBOQHQ-SJLPKXTDSA-N 1 1 383.448 3.143 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCCO)C(c2ccccc2)c2ccccc2)n1 ZINC000176228312 1428179901 /nfs/dbraw/zinc/17/99/01/1428179901.db2.gz XBCRPJSPTVCMHM-UHFFFAOYSA-N 1 1 380.448 3.265 20 5 GGBDMO CC(C)(O)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000180241228 1429812381 /nfs/dbraw/zinc/81/23/81/1429812381.db2.gz VPONOUYLJINEAL-UHFFFAOYSA-N 1 1 382.420 3.418 20 5 GGBDMO CC(C)(O)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000180241228 1429812383 /nfs/dbraw/zinc/81/23/83/1429812383.db2.gz VPONOUYLJINEAL-UHFFFAOYSA-N 1 1 382.420 3.418 20 5 GGBDMO CC(C)(O)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000180244643 1429813302 /nfs/dbraw/zinc/81/33/02/1429813302.db2.gz MXPNHOBQQAIXSP-UHFFFAOYSA-N 1 1 391.855 3.460 20 5 GGBDMO CC(C)(O)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000180244643 1429813304 /nfs/dbraw/zinc/81/33/04/1429813304.db2.gz MXPNHOBQQAIXSP-UHFFFAOYSA-N 1 1 391.855 3.460 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180273818 1429821114 /nfs/dbraw/zinc/82/11/14/1429821114.db2.gz VWCJFNYZLGAOTJ-CQSZACIVSA-N 1 1 388.411 3.494 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180273818 1429821116 /nfs/dbraw/zinc/82/11/16/1429821116.db2.gz VWCJFNYZLGAOTJ-CQSZACIVSA-N 1 1 388.411 3.494 20 5 GGBDMO COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180280281 1429823520 /nfs/dbraw/zinc/82/35/20/1429823520.db2.gz DHVRTEAAFKPXOL-HIFRSBDPSA-N 1 1 399.438 3.163 20 5 GGBDMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180394349 1429855713 /nfs/dbraw/zinc/85/57/13/1429855713.db2.gz BBESMKLNTVHWDQ-CVEARBPZSA-N 1 1 398.463 3.006 20 5 GGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180729503 1430004459 /nfs/dbraw/zinc/00/44/59/1430004459.db2.gz JCSQNICORFDUCC-GASCZTMLSA-N 1 1 395.525 3.324 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180833552 1430062309 /nfs/dbraw/zinc/06/23/09/1430062309.db2.gz KOBRLUCISQYMSY-KRWDZBQOSA-N 1 1 382.464 3.161 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000180851344 1430069896 /nfs/dbraw/zinc/06/98/96/1430069896.db2.gz DLSBHCXTPAIYDS-YJBOKZPZSA-N 1 1 386.448 3.385 20 5 GGBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccccc1 ZINC000180899411 1430097896 /nfs/dbraw/zinc/09/78/96/1430097896.db2.gz BQCYYKNVFRGWFW-UHFFFAOYSA-N 1 1 379.363 3.058 20 5 GGBDMO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000180963670 1430139571 /nfs/dbraw/zinc/13/95/71/1430139571.db2.gz WPFLPHYEJFGHEH-UHFFFAOYSA-N 1 1 393.531 3.404 20 5 GGBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000180963670 1430139584 /nfs/dbraw/zinc/13/95/84/1430139584.db2.gz WPFLPHYEJFGHEH-UHFFFAOYSA-N 1 1 393.531 3.404 20 5 GGBDMO C[C@@H](CCO)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000180984819 1430152549 /nfs/dbraw/zinc/15/25/49/1430152549.db2.gz GMTJTMBRBDJFKJ-HNNXBMFYSA-N 1 1 382.420 3.418 20 5 GGBDMO C[C@@H](CCO)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000180984819 1430152550 /nfs/dbraw/zinc/15/25/50/1430152550.db2.gz GMTJTMBRBDJFKJ-HNNXBMFYSA-N 1 1 382.420 3.418 20 5 GGBDMO C[C@H]1C[C@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000181109297 1430213769 /nfs/dbraw/zinc/21/37/69/1430213769.db2.gz HDRXYNLRELOYQI-DOTOQJQBSA-N 1 1 382.464 3.302 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000181305411 1430268423 /nfs/dbraw/zinc/26/84/23/1430268423.db2.gz QUDNLIZJDFYMBA-RHSMWYFYSA-N 1 1 397.431 3.106 20 5 GGBDMO CCC[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000181317292 1430271778 /nfs/dbraw/zinc/27/17/78/1430271778.db2.gz ZXRCRIKNBAMYDI-QGZVFWFLSA-N 1 1 382.464 3.304 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000181592022 1430324659 /nfs/dbraw/zinc/32/46/59/1430324659.db2.gz WHEXXINYXAWOGP-BZNIZROVSA-N 1 1 390.465 3.436 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000181592006 1430324729 /nfs/dbraw/zinc/32/47/29/1430324729.db2.gz WHEXXINYXAWOGP-BDJLRTHQSA-N 1 1 390.465 3.436 20 5 GGBDMO C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181633984 1430331671 /nfs/dbraw/zinc/33/16/71/1430331671.db2.gz BLOGQIMDTJNTIK-HOTGVXAUSA-N 1 1 397.479 3.163 20 5 GGBDMO C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181633944 1430331709 /nfs/dbraw/zinc/33/17/09/1430331709.db2.gz BLOGQIMDTJNTIK-JKSUJKDBSA-N 1 1 397.479 3.163 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181642898 1430333397 /nfs/dbraw/zinc/33/33/97/1430333397.db2.gz RAFDKSAHVMBNDP-KBPBESRZSA-N 1 1 390.440 3.194 20 5 GGBDMO C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181670963 1430338783 /nfs/dbraw/zinc/33/87/83/1430338783.db2.gz MLTZHFALBYQXAU-CVEARBPZSA-N 1 1 397.479 3.163 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000181752365 1430352667 /nfs/dbraw/zinc/35/26/67/1430352667.db2.gz SJXFQRORPLRQKU-UHFFFAOYSA-N 1 1 385.420 3.094 20 5 GGBDMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000181829714 1430369017 /nfs/dbraw/zinc/36/90/17/1430369017.db2.gz CJVQLWNIQKBEQC-NSHDSACASA-N 1 1 377.470 3.342 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000181925124 1430384354 /nfs/dbraw/zinc/38/43/54/1430384354.db2.gz UGLUEVAZAAFCSO-IRXDYDNUSA-N 1 1 388.489 3.449 20 5 GGBDMO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182058804 1430403646 /nfs/dbraw/zinc/40/36/46/1430403646.db2.gz FRWHCXRESNTCHP-UHFFFAOYSA-N 1 1 397.903 3.392 20 5 GGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000182073973 1430406717 /nfs/dbraw/zinc/40/67/17/1430406717.db2.gz ZHMNBURHJDNTCD-MRXNPFEDSA-N 1 1 393.447 3.031 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182108100 1430413261 /nfs/dbraw/zinc/41/32/61/1430413261.db2.gz JZKBCBFXILZMGU-HNNXBMFYSA-N 1 1 397.431 3.060 20 5 GGBDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215311 1430431054 /nfs/dbraw/zinc/43/10/54/1430431054.db2.gz XLPPBPFJYZAEQY-OAHLLOKOSA-N 1 1 384.354 3.485 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000182215587 1430431090 /nfs/dbraw/zinc/43/10/90/1430431090.db2.gz UHJHLZVJWZPPSK-INIZCTEOSA-N 1 1 378.375 3.277 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000182215587 1430431092 /nfs/dbraw/zinc/43/10/92/1430431092.db2.gz UHJHLZVJWZPPSK-INIZCTEOSA-N 1 1 378.375 3.277 20 5 GGBDMO CCOc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000182267584 1430440032 /nfs/dbraw/zinc/44/00/32/1430440032.db2.gz YOOBRHIHFAUVMQ-JXFKEZNVSA-N 1 1 399.491 3.411 20 5 GGBDMO CCOc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000182267584 1430440037 /nfs/dbraw/zinc/44/00/37/1430440037.db2.gz YOOBRHIHFAUVMQ-JXFKEZNVSA-N 1 1 399.491 3.411 20 5 GGBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[nH+]c1 ZINC000182282026 1430442136 /nfs/dbraw/zinc/44/21/36/1430442136.db2.gz QANOSUUHISBAKT-UHFFFAOYSA-N 1 1 380.351 3.132 20 5 GGBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000182497945 1430478421 /nfs/dbraw/zinc/47/84/21/1430478421.db2.gz FZRDVLRVVWGPGX-AWEZNQCLSA-N 1 1 376.413 3.278 20 5 GGBDMO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000182582102 1430496999 /nfs/dbraw/zinc/49/69/99/1430496999.db2.gz ZKQKWCLKWVBTPF-LRDDRELGSA-N 1 1 395.406 3.285 20 5 GGBDMO C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000182620057 1430503657 /nfs/dbraw/zinc/50/36/57/1430503657.db2.gz QIZWOTCXEOOAMI-HUUCEWRRSA-N 1 1 385.439 3.400 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000182623319 1430504574 /nfs/dbraw/zinc/50/45/74/1430504574.db2.gz YNMLSJSOQGGAIY-KRWDZBQOSA-N 1 1 379.464 3.430 20 5 GGBDMO C[C@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182629165 1430505479 /nfs/dbraw/zinc/50/54/79/1430505479.db2.gz WTKUPUNFFCPXRS-HNNXBMFYSA-N 1 1 385.439 3.402 20 5 GGBDMO C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCc2sccc2C1 ZINC000182631707 1430505891 /nfs/dbraw/zinc/50/58/91/1430505891.db2.gz IWCJHYQOLQFOAB-CHWSQXEVSA-N 1 1 391.468 3.462 20 5 GGBDMO C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2sccc2C1 ZINC000182631707 1430505898 /nfs/dbraw/zinc/50/58/98/1430505898.db2.gz IWCJHYQOLQFOAB-CHWSQXEVSA-N 1 1 391.468 3.462 20 5 GGBDMO Cc1c(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000182880087 1430561043 /nfs/dbraw/zinc/56/10/43/1430561043.db2.gz LZFTXQBBGPUIJW-SFHVURJKSA-N 1 1 398.463 3.182 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000183020227 1430594263 /nfs/dbraw/zinc/59/42/63/1430594263.db2.gz ZOYMDALDKVWQDJ-HOTGVXAUSA-N 1 1 395.525 3.143 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000183032283 1430597063 /nfs/dbraw/zinc/59/70/63/1430597063.db2.gz FKETYPYFJGMIMR-HOTGVXAUSA-N 1 1 395.525 3.143 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 ZINC000183535732 1430737131 /nfs/dbraw/zinc/73/71/31/1430737131.db2.gz WYIBJICOJORBKQ-BDJLRTHQSA-N 1 1 390.465 3.436 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 ZINC000183535699 1430737200 /nfs/dbraw/zinc/73/72/00/1430737200.db2.gz WYIBJICOJORBKQ-MEDUHNTESA-N 1 1 390.465 3.436 20 5 GGBDMO CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000183554843 1430741383 /nfs/dbraw/zinc/74/13/83/1430741383.db2.gz CPIGBMOZCZVGRY-OAQYLSRUSA-N 1 1 399.491 3.329 20 5 GGBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000183642534 1430761488 /nfs/dbraw/zinc/76/14/88/1430761488.db2.gz BLEPZASAXWNGSX-UHFFFAOYSA-N 1 1 383.452 3.162 20 5 GGBDMO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000183670442 1430768220 /nfs/dbraw/zinc/76/82/20/1430768220.db2.gz JSXXWYIAXQPPOR-UXHICEINSA-N 1 1 388.512 3.004 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000183765058 1430788942 /nfs/dbraw/zinc/78/89/42/1430788942.db2.gz PSUGAKVOMYCMLB-LJQANCHMSA-N 1 1 397.475 3.017 20 5 GGBDMO CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183763182 1430789131 /nfs/dbraw/zinc/78/91/31/1430789131.db2.gz KZEMMOKEUDWQHT-GOSISDBHSA-N 1 1 382.464 3.130 20 5 GGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183836677 1430803041 /nfs/dbraw/zinc/80/30/41/1430803041.db2.gz JULOXSZVZHAWLI-ZFWWWQNUSA-N 1 1 388.424 3.181 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H](C)c1nccs1 ZINC000183975640 1430821527 /nfs/dbraw/zinc/82/15/27/1430821527.db2.gz BHLXZILBPWJHBG-LBPRGKRZSA-N 1 1 378.454 3.124 20 5 GGBDMO CCN(C[C@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000184229490 1430859435 /nfs/dbraw/zinc/85/94/35/1430859435.db2.gz ZBQGMDGGUIMNBY-GFCCVEGCSA-N 1 1 393.381 3.449 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000184229490 1430859438 /nfs/dbraw/zinc/85/94/38/1430859438.db2.gz ZBQGMDGGUIMNBY-GFCCVEGCSA-N 1 1 393.381 3.449 20 5 GGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184251795 1430862536 /nfs/dbraw/zinc/86/25/36/1430862536.db2.gz GJXLMQSTMBOAFL-KGLIPLIRSA-N 1 1 381.448 3.259 20 5 GGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184251795 1430862538 /nfs/dbraw/zinc/86/25/38/1430862538.db2.gz GJXLMQSTMBOAFL-KGLIPLIRSA-N 1 1 381.448 3.259 20 5 GGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184251744 1430862547 /nfs/dbraw/zinc/86/25/47/1430862547.db2.gz GJXLMQSTMBOAFL-UONOGXRCSA-N 1 1 381.448 3.259 20 5 GGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184251744 1430862550 /nfs/dbraw/zinc/86/25/50/1430862550.db2.gz GJXLMQSTMBOAFL-UONOGXRCSA-N 1 1 381.448 3.259 20 5 GGBDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184394952 1430882588 /nfs/dbraw/zinc/88/25/88/1430882588.db2.gz NSNHNDNMAGBLBV-AAEUAGOBSA-N 1 1 378.454 3.436 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184486143 1430893289 /nfs/dbraw/zinc/89/32/89/1430893289.db2.gz PVTSYCZBCRSKQG-IRXDYDNUSA-N 1 1 395.525 3.011 20 5 GGBDMO C[C@@H](c1nccs1)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184612356 1430919521 /nfs/dbraw/zinc/91/95/21/1430919521.db2.gz FFWGDHBHYPLGPE-HNNXBMFYSA-N 1 1 376.482 3.199 20 5 GGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000184661376 1430933852 /nfs/dbraw/zinc/93/38/52/1430933852.db2.gz DHQOIPBIOFMVLB-AZUAARDMSA-N 1 1 391.512 3.027 20 5 GGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000184702072 1430946741 /nfs/dbraw/zinc/94/67/41/1430946741.db2.gz RRUBXHJXMXVUMV-GOSISDBHSA-N 1 1 393.447 3.369 20 5 GGBDMO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000184843721 1431001077 /nfs/dbraw/zinc/00/10/77/1431001077.db2.gz ZDGVYRNXLFVVRH-PBHICJAKSA-N 1 1 383.404 3.340 20 5 GGBDMO CCC(CC)[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000184920639 1431021340 /nfs/dbraw/zinc/02/13/40/1431021340.db2.gz GZJPBDUZQHXNND-KUHUBIRLSA-N 1 1 395.475 3.091 20 5 GGBDMO CCC(CC)[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000184920626 1431021571 /nfs/dbraw/zinc/02/15/71/1431021571.db2.gz GZJPBDUZQHXNND-AUUYWEPGSA-N 1 1 395.475 3.091 20 5 GGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185099594 1431061053 /nfs/dbraw/zinc/06/10/53/1431061053.db2.gz YCBPREUIYTWGLC-SOLBZPMBSA-N 1 1 391.512 3.168 20 5 GGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185099594 1431061059 /nfs/dbraw/zinc/06/10/59/1431061059.db2.gz YCBPREUIYTWGLC-SOLBZPMBSA-N 1 1 391.512 3.168 20 5 GGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000185099630 1431061299 /nfs/dbraw/zinc/06/12/99/1431061299.db2.gz YCBPREUIYTWGLC-JFIYKMOQSA-N 1 1 391.512 3.168 20 5 GGBDMO COc1cccc(-c2noc([C@H](C)[NH2+]CCOc3cccc([N+](=O)[O-])c3)n2)c1 ZINC000185127925 1431067650 /nfs/dbraw/zinc/06/76/50/1431067650.db2.gz SIFFIJKUUWTQHY-ZDUSSCGKSA-N 1 1 384.392 3.383 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185300099 1431105053 /nfs/dbraw/zinc/10/50/53/1431105053.db2.gz HUKDUGWUJRAYCS-UONOGXRCSA-N 1 1 378.375 3.102 20 5 GGBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000185359050 1431125989 /nfs/dbraw/zinc/12/59/89/1431125989.db2.gz NMBTXUUTAUMZBG-QGZVFWFLSA-N 1 1 390.465 3.438 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185371618 1431128388 /nfs/dbraw/zinc/12/83/88/1431128388.db2.gz NKIHNJNFHORUMO-BZNIZROVSA-N 1 1 390.465 3.436 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000185421923 1431142328 /nfs/dbraw/zinc/14/23/28/1431142328.db2.gz YRBSOAXRDZHAOX-KUHUBIRLSA-N 1 1 380.448 3.412 20 5 GGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000185429965 1431143711 /nfs/dbraw/zinc/14/37/11/1431143711.db2.gz FJQGTRUPDNTOGL-MRXNPFEDSA-N 1 1 398.463 3.302 20 5 GGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185439610 1431145934 /nfs/dbraw/zinc/14/59/34/1431145934.db2.gz YFKDHZDKIIJKIF-GJZGRUSLSA-N 1 1 388.493 3.362 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(O)(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000185476664 1431153867 /nfs/dbraw/zinc/15/38/67/1431153867.db2.gz RSXCDYAVTBWKMH-INIZCTEOSA-N 1 1 383.448 3.214 20 5 GGBDMO COc1ccc(OCCN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000185695214 1431208121 /nfs/dbraw/zinc/20/81/21/1431208121.db2.gz REJGYLCWEAXYPN-HOTGVXAUSA-N 1 1 377.485 3.225 20 5 GGBDMO COc1ccc(OCCN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000185695214 1431208122 /nfs/dbraw/zinc/20/81/22/1431208122.db2.gz REJGYLCWEAXYPN-HOTGVXAUSA-N 1 1 377.485 3.225 20 5 GGBDMO C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720177 1431214878 /nfs/dbraw/zinc/21/48/78/1431214878.db2.gz BUGJBKLJDNVZDL-ZBFHGGJFSA-N 1 1 385.468 3.387 20 5 GGBDMO C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185752110 1431224446 /nfs/dbraw/zinc/22/44/46/1431224446.db2.gz ZZEQVQWVQMVEND-KBPBESRZSA-N 1 1 394.903 3.429 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186009819 1431310707 /nfs/dbraw/zinc/31/07/07/1431310707.db2.gz GIBCJRMLUMTQEM-CQSZACIVSA-N 1 1 382.892 3.415 20 5 GGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000186009875 1431310855 /nfs/dbraw/zinc/31/08/55/1431310855.db2.gz LGXVPGAGOUPCKI-RDTXWAMCSA-N 1 1 392.887 3.407 20 5 GGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000186009912 1431310926 /nfs/dbraw/zinc/31/09/26/1431310926.db2.gz LGXVPGAGOUPCKI-KBXCAEBGSA-N 1 1 392.887 3.407 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)n2)c1 ZINC000186698625 1431494549 /nfs/dbraw/zinc/49/45/49/1431494549.db2.gz AZZMDHWALPVZEG-HXUWFJFHSA-N 1 1 378.388 3.276 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)n2)c1 ZINC000186698625 1431494554 /nfs/dbraw/zinc/49/45/54/1431494554.db2.gz AZZMDHWALPVZEG-HXUWFJFHSA-N 1 1 378.388 3.276 20 5 GGBDMO CC1(C)OCc2cc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC000186821074 1431528376 /nfs/dbraw/zinc/52/83/76/1431528376.db2.gz NSJLVLGAOUXEPY-MRXNPFEDSA-N 1 1 384.436 3.321 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000187327860 1431698023 /nfs/dbraw/zinc/69/80/23/1431698023.db2.gz UDUOBAGKONULGX-IBGZPJMESA-N 1 1 385.464 3.490 20 5 GGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1Cc1ccccc1 ZINC000187359557 1431708051 /nfs/dbraw/zinc/70/80/51/1431708051.db2.gz ONGULKCDTUZNHO-WBVHZDCISA-N 1 1 382.464 3.302 20 5 GGBDMO CC[C@]1(CO)CCC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000187569929 1431770311 /nfs/dbraw/zinc/77/03/11/1431770311.db2.gz XNSQASLOVIUZKY-SFHVURJKSA-N 1 1 388.411 3.232 20 5 GGBDMO CC[C@]1(CO)CCC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000187569929 1431770312 /nfs/dbraw/zinc/77/03/12/1431770312.db2.gz XNSQASLOVIUZKY-SFHVURJKSA-N 1 1 388.411 3.232 20 5 GGBDMO CC[C@@]1(CO)CCC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000187569943 1431770339 /nfs/dbraw/zinc/77/03/39/1431770339.db2.gz XNSQASLOVIUZKY-GOSISDBHSA-N 1 1 388.411 3.232 20 5 GGBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000187569943 1431770343 /nfs/dbraw/zinc/77/03/43/1431770343.db2.gz XNSQASLOVIUZKY-GOSISDBHSA-N 1 1 388.411 3.232 20 5 GGBDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)n2C ZINC000187586746 1431773464 /nfs/dbraw/zinc/77/34/64/1431773464.db2.gz OFORXBHUKJDFIA-UHFFFAOYSA-N 1 1 390.447 3.480 20 5 GGBDMO COc1cc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000187612751 1431779178 /nfs/dbraw/zinc/77/91/78/1431779178.db2.gz HBAOXQXGGMZALP-IBGZPJMESA-N 1 1 383.448 3.244 20 5 GGBDMO CCC(CC)[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000188032056 1431838207 /nfs/dbraw/zinc/83/82/07/1431838207.db2.gz SSBXPVOALFAURJ-MRXNPFEDSA-N 1 1 395.525 3.184 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188304636 1431871155 /nfs/dbraw/zinc/87/11/55/1431871155.db2.gz HMXFODRAFBCDCR-NRFANRHFSA-N 1 1 398.463 3.004 20 5 GGBDMO Cc1c(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000188370073 1431877933 /nfs/dbraw/zinc/87/79/33/1431877933.db2.gz JBTWBNMOMOCINJ-OAQYLSRUSA-N 1 1 398.463 3.004 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000189157496 1432054349 /nfs/dbraw/zinc/05/43/49/1432054349.db2.gz QOVHPBNXJQFZEJ-UHFFFAOYSA-N 1 1 398.463 3.019 20 5 GGBDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000189210025 1432064066 /nfs/dbraw/zinc/06/40/66/1432064066.db2.gz ONYBDFOLQUPIPV-HNNXBMFYSA-N 1 1 389.477 3.328 20 5 GGBDMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000189450506 1432115199 /nfs/dbraw/zinc/11/51/99/1432115199.db2.gz IRZXIGYNYTYKGI-UHFFFAOYSA-N 1 1 382.464 3.179 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189680770 1432202166 /nfs/dbraw/zinc/20/21/66/1432202166.db2.gz FXBRDBFRWJORNV-UHFFFAOYSA-N 1 1 391.493 3.451 20 5 GGBDMO CC[C@](C)(O)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000189727916 1432216985 /nfs/dbraw/zinc/21/69/85/1432216985.db2.gz PLGNHCOTFLJUPU-NRFANRHFSA-N 1 1 385.464 3.221 20 5 GGBDMO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[N@@H+](C)Cc1ccccc1 ZINC000189900607 1432267410 /nfs/dbraw/zinc/26/74/10/1432267410.db2.gz IJYKPAPYZSAIRU-HNNXBMFYSA-N 1 1 391.493 3.321 20 5 GGBDMO COc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc([N+](=O)[O-])c1C ZINC000190107861 1432321157 /nfs/dbraw/zinc/32/11/57/1432321157.db2.gz MRQAEPNSTBUDER-GJZGRUSLSA-N 1 1 375.469 3.295 20 5 GGBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000190121791 1432323524 /nfs/dbraw/zinc/32/35/24/1432323524.db2.gz BEBBIBLKRXYECG-HZPDHXFCSA-N 1 1 395.525 3.143 20 5 GGBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000190121825 1432323594 /nfs/dbraw/zinc/32/35/94/1432323594.db2.gz BEBBIBLKRXYECG-CVEARBPZSA-N 1 1 395.525 3.143 20 5 GGBDMO COC(=O)c1cnc(NC[C@@H](c2ccccc2Cl)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190164640 1432331526 /nfs/dbraw/zinc/33/15/26/1432331526.db2.gz FGGYBIIWATVYHN-HNNXBMFYSA-N 1 1 378.816 3.145 20 5 GGBDMO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000190376889 1432369749 /nfs/dbraw/zinc/36/97/49/1432369749.db2.gz IKRWSSORFRPUOJ-UHFFFAOYSA-N 1 1 397.353 3.223 20 5 GGBDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000190376889 1432369753 /nfs/dbraw/zinc/36/97/53/1432369753.db2.gz IKRWSSORFRPUOJ-UHFFFAOYSA-N 1 1 397.353 3.223 20 5 GGBDMO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc([N+](=O)[O-])c1C ZINC000190574445 1432410664 /nfs/dbraw/zinc/41/06/64/1432410664.db2.gz ZIARARBDILLAFS-KRWDZBQOSA-N 1 1 387.436 3.462 20 5 GGBDMO CCS(=O)(=O)CCCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000190609499 1432419488 /nfs/dbraw/zinc/41/94/88/1432419488.db2.gz ZWNZZIGHSDLPQF-UHFFFAOYSA-N 1 1 384.498 3.043 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000190850274 1432506952 /nfs/dbraw/zinc/50/69/52/1432506952.db2.gz NRQMOKRPTUKXOW-OXFYSEKESA-N 1 1 383.448 3.143 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000190850274 1432506959 /nfs/dbraw/zinc/50/69/59/1432506959.db2.gz NRQMOKRPTUKXOW-OXFYSEKESA-N 1 1 383.448 3.143 20 5 GGBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000190957132 1432537702 /nfs/dbraw/zinc/53/77/02/1432537702.db2.gz JEECJYUNRCZDIC-UHFFFAOYSA-N 1 1 382.464 3.161 20 5 GGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191478577 1432668617 /nfs/dbraw/zinc/66/86/17/1432668617.db2.gz CZFBDNYDTNKZIZ-LJQANCHMSA-N 1 1 385.464 3.421 20 5 GGBDMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191491014 1432671317 /nfs/dbraw/zinc/67/13/17/1432671317.db2.gz PXQNHLPVLUORLR-MRXNPFEDSA-N 1 1 387.484 3.401 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191936418 1432760199 /nfs/dbraw/zinc/76/01/99/1432760199.db2.gz LYHOGGIWSHCMQX-LJQANCHMSA-N 1 1 398.463 3.316 20 5 GGBDMO COc1cccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000192484430 1432849931 /nfs/dbraw/zinc/84/99/31/1432849931.db2.gz AFEHRMRXGPZNRU-UHFFFAOYSA-N 1 1 397.475 3.384 20 5 GGBDMO CCCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000192521023 1432854243 /nfs/dbraw/zinc/85/42/43/1432854243.db2.gz ZTUDMHVHWZEPKE-UHFFFAOYSA-N 1 1 379.505 3.432 20 5 GGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000192589388 1432863440 /nfs/dbraw/zinc/86/34/40/1432863440.db2.gz MQRLWWHTAKBXNU-UHFFFAOYSA-N 1 1 376.461 3.049 20 5 GGBDMO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000192600454 1432864558 /nfs/dbraw/zinc/86/45/58/1432864558.db2.gz BTJTWHJRCSDLOX-GDBMZVCRSA-N 1 1 385.468 3.005 20 5 GGBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000192600454 1432864559 /nfs/dbraw/zinc/86/45/59/1432864559.db2.gz BTJTWHJRCSDLOX-GDBMZVCRSA-N 1 1 385.468 3.005 20 5 GGBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000192600454 1432864560 /nfs/dbraw/zinc/86/45/60/1432864560.db2.gz BTJTWHJRCSDLOX-GDBMZVCRSA-N 1 1 385.468 3.005 20 5 GGBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000192600471 1432864576 /nfs/dbraw/zinc/86/45/76/1432864576.db2.gz BTJTWHJRCSDLOX-ZBFHGGJFSA-N 1 1 385.468 3.005 20 5 GGBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000192600471 1432864577 /nfs/dbraw/zinc/86/45/77/1432864577.db2.gz BTJTWHJRCSDLOX-ZBFHGGJFSA-N 1 1 385.468 3.005 20 5 GGBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000192600471 1432864578 /nfs/dbraw/zinc/86/45/78/1432864578.db2.gz BTJTWHJRCSDLOX-ZBFHGGJFSA-N 1 1 385.468 3.005 20 5 GGBDMO CC[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000192720971 1432879924 /nfs/dbraw/zinc/87/99/24/1432879924.db2.gz UKJUFLOWFIRHHF-AZUAARDMSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000192720971 1432879927 /nfs/dbraw/zinc/87/99/27/1432879927.db2.gz UKJUFLOWFIRHHF-AZUAARDMSA-N 1 1 397.475 3.313 20 5 GGBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777856 1432889303 /nfs/dbraw/zinc/88/93/03/1432889303.db2.gz PGNCLHXQLUBTAV-SJLPKXTDSA-N 1 1 397.479 3.007 20 5 GGBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777856 1432889305 /nfs/dbraw/zinc/88/93/05/1432889305.db2.gz PGNCLHXQLUBTAV-SJLPKXTDSA-N 1 1 397.479 3.007 20 5 GGBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192777856 1432889309 /nfs/dbraw/zinc/88/93/09/1432889309.db2.gz PGNCLHXQLUBTAV-SJLPKXTDSA-N 1 1 397.479 3.007 20 5 GGBDMO O=C(NC1CC1)c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192955481 1432912838 /nfs/dbraw/zinc/91/28/38/1432912838.db2.gz XAGZGGPIMXEAMB-KRWDZBQOSA-N 1 1 394.475 3.421 20 5 GGBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193316201 1432978029 /nfs/dbraw/zinc/97/80/29/1432978029.db2.gz KHPHWFMQTIMXMZ-OAHLLOKOSA-N 1 1 384.354 3.485 20 5 GGBDMO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315167 1432978105 /nfs/dbraw/zinc/97/81/05/1432978105.db2.gz PVXNGPDESRZDJQ-CQSZACIVSA-N 1 1 382.363 3.068 20 5 GGBDMO C[C@@H]1C[N@@H+](CCN(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000193402413 1432991776 /nfs/dbraw/zinc/99/17/76/1432991776.db2.gz PKJHKOIDVSKJJE-GASCZTMLSA-N 1 1 390.509 3.259 20 5 GGBDMO C[C@@H]1C[N@H+](CCN(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000193402413 1432991778 /nfs/dbraw/zinc/99/17/78/1432991778.db2.gz PKJHKOIDVSKJJE-GASCZTMLSA-N 1 1 390.509 3.259 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCCN(c4ccccc4)CC3)n2)cc1 ZINC000193435084 1432998525 /nfs/dbraw/zinc/99/85/25/1432998525.db2.gz JWQSWKNABWKNCU-UHFFFAOYSA-N 1 1 378.436 3.023 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCCN(c4ccccc4)CC3)n2)cc1 ZINC000193435084 1432998530 /nfs/dbraw/zinc/99/85/30/1432998530.db2.gz JWQSWKNABWKNCU-UHFFFAOYSA-N 1 1 378.436 3.023 20 5 GGBDMO COC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000193661202 1433035838 /nfs/dbraw/zinc/03/58/38/1433035838.db2.gz MEGWIHYEBMLENI-KRWDZBQOSA-N 1 1 389.839 3.115 20 5 GGBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)cc1 ZINC000193663044 1433036406 /nfs/dbraw/zinc/03/64/06/1433036406.db2.gz RRRGVVKXRLCHBP-INIZCTEOSA-N 1 1 393.827 3.173 20 5 GGBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000193687507 1433040793 /nfs/dbraw/zinc/04/07/93/1433040793.db2.gz PJRGCUDMXRCUOD-INIZCTEOSA-N 1 1 393.827 3.173 20 5 GGBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)nc1 ZINC000193719304 1433046836 /nfs/dbraw/zinc/04/68/36/1433046836.db2.gz BPDLPNAMMREWAI-UHFFFAOYSA-N 1 1 399.407 3.057 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000193778828 1433057353 /nfs/dbraw/zinc/05/73/53/1433057353.db2.gz BMWDPEYOSWVYEM-QGZVFWFLSA-N 1 1 382.464 3.443 20 5 GGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000193778828 1433057357 /nfs/dbraw/zinc/05/73/57/1433057357.db2.gz BMWDPEYOSWVYEM-QGZVFWFLSA-N 1 1 382.464 3.443 20 5 GGBDMO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000193798635 1433061931 /nfs/dbraw/zinc/06/19/31/1433061931.db2.gz DPOICAHTPMGWOZ-NVXWUHKLSA-N 1 1 385.439 3.476 20 5 GGBDMO COc1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000193801214 1433062704 /nfs/dbraw/zinc/06/27/04/1433062704.db2.gz VRCTUMHZQURVHA-QGZVFWFLSA-N 1 1 383.448 3.164 20 5 GGBDMO O=C1CCc2cc([N+](=O)[O-])c(NCCC[N@H+]3CCc4ccccc4C3)cc2N1 ZINC000193851436 1433073073 /nfs/dbraw/zinc/07/30/73/1433073073.db2.gz GOJVNEQRRJJRLY-UHFFFAOYSA-N 1 1 380.448 3.340 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193880437 1433077481 /nfs/dbraw/zinc/07/74/81/1433077481.db2.gz WPXAQJQEKOOHSK-INIZCTEOSA-N 1 1 384.436 3.247 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193880454 1433077504 /nfs/dbraw/zinc/07/75/04/1433077504.db2.gz WPXAQJQEKOOHSK-MRXNPFEDSA-N 1 1 384.436 3.247 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000193929756 1433086802 /nfs/dbraw/zinc/08/68/02/1433086802.db2.gz HONHYAKUJCWSDI-QGZVFWFLSA-N 1 1 383.448 3.388 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000193949507 1433090720 /nfs/dbraw/zinc/09/07/20/1433090720.db2.gz XCGQPYRGHIPNBV-UHFFFAOYSA-N 1 1 398.463 3.021 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000194028151 1433103765 /nfs/dbraw/zinc/10/37/65/1433103765.db2.gz KQCLPQWOICJXSU-LJQANCHMSA-N 1 1 398.463 3.182 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000194399549 1433172269 /nfs/dbraw/zinc/17/22/69/1433172269.db2.gz QYPRGYWFMBWJAJ-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000194489851 1433186582 /nfs/dbraw/zinc/18/65/82/1433186582.db2.gz UNYDLFKEGJNPEF-KRWDZBQOSA-N 1 1 376.844 3.350 20 5 GGBDMO CC[N@@H+](CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1CC1 ZINC000194561077 1433197607 /nfs/dbraw/zinc/19/76/07/1433197607.db2.gz BZEIOONQACKVGV-UHFFFAOYSA-N 1 1 383.448 3.388 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000194653568 1433211693 /nfs/dbraw/zinc/21/16/93/1433211693.db2.gz WBYYZKXZISXRHY-KRWDZBQOSA-N 1 1 383.448 3.132 20 5 GGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000194858570 1433250160 /nfs/dbraw/zinc/25/01/60/1433250160.db2.gz CRLRHOWZEZSQMN-IBGZPJMESA-N 1 1 388.424 3.056 20 5 GGBDMO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000194930819 1433266856 /nfs/dbraw/zinc/26/68/56/1433266856.db2.gz OSXQANURNSTKPS-LLVKDONJSA-N 1 1 397.382 3.025 20 5 GGBDMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000194930819 1433266859 /nfs/dbraw/zinc/26/68/59/1433266859.db2.gz OSXQANURNSTKPS-LLVKDONJSA-N 1 1 397.382 3.025 20 5 GGBDMO CSc1ccc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195095936 1433291640 /nfs/dbraw/zinc/29/16/40/1433291640.db2.gz BCDSYRBZQJLZLT-LZWOXQAQSA-N 1 1 393.509 3.031 20 5 GGBDMO CSc1ccc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195095936 1433291645 /nfs/dbraw/zinc/29/16/45/1433291645.db2.gz BCDSYRBZQJLZLT-LZWOXQAQSA-N 1 1 393.509 3.031 20 5 GGBDMO COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000195271415 1433314181 /nfs/dbraw/zinc/31/41/81/1433314181.db2.gz CNLINPCGLXDMJW-FQEVSTJZSA-N 1 1 385.464 3.310 20 5 GGBDMO O=[N+]([O-])c1cnc(NCCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000195509707 1433337791 /nfs/dbraw/zinc/33/77/91/1433337791.db2.gz DCXCRAKWRYNUFG-UHFFFAOYSA-N 1 1 375.498 3.061 20 5 GGBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000198978442 1433352541 /nfs/dbraw/zinc/35/25/41/1433352541.db2.gz FQTVFDCYXMPFNO-UHFFFAOYSA-N 1 1 382.464 3.131 20 5 GGBDMO C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000227828636 1433370608 /nfs/dbraw/zinc/37/06/08/1433370608.db2.gz RIMZDRFGFUKEPI-VXGBXAGGSA-N 1 1 386.399 3.438 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000229425788 1433371993 /nfs/dbraw/zinc/37/19/93/1433371993.db2.gz VOXVNGMTAWZCDV-GOEBONIOSA-N 1 1 384.436 3.117 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000229425788 1433371996 /nfs/dbraw/zinc/37/19/96/1433371996.db2.gz VOXVNGMTAWZCDV-GOEBONIOSA-N 1 1 384.436 3.117 20 5 GGBDMO C[N@H+](CCOc1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1)C1CCOCC1 ZINC000237203323 1433392311 /nfs/dbraw/zinc/39/23/11/1433392311.db2.gz MUDSXACHOJMJLW-UHFFFAOYSA-N 1 1 399.491 3.374 20 5 GGBDMO C[N@@H+](CCOc1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1)C1CCOCC1 ZINC000237203323 1433392313 /nfs/dbraw/zinc/39/23/13/1433392313.db2.gz MUDSXACHOJMJLW-UHFFFAOYSA-N 1 1 399.491 3.374 20 5 GGBDMO C[N@H+](CCOc1cccc(CNCc2ccccc2[N+](=O)[O-])c1)C1CCOCC1 ZINC000237203711 1433392455 /nfs/dbraw/zinc/39/24/55/1433392455.db2.gz ZLFOTBORNCAGKU-UHFFFAOYSA-N 1 1 399.491 3.374 20 5 GGBDMO C[N@@H+](CCOc1cccc(CNCc2ccccc2[N+](=O)[O-])c1)C1CCOCC1 ZINC000237203711 1433392459 /nfs/dbraw/zinc/39/24/59/1433392459.db2.gz ZLFOTBORNCAGKU-UHFFFAOYSA-N 1 1 399.491 3.374 20 5 GGBDMO COc1cc(CNC[C@H]2CCC[N@@H+]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237278383 1433395487 /nfs/dbraw/zinc/39/54/87/1433395487.db2.gz DYBWWTXCBIOSFW-LJQANCHMSA-N 1 1 385.464 3.366 20 5 GGBDMO COc1cc(CNC[C@H]2CCC[N@H+]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237278383 1433395490 /nfs/dbraw/zinc/39/54/90/1433395490.db2.gz DYBWWTXCBIOSFW-LJQANCHMSA-N 1 1 385.464 3.366 20 5 GGBDMO COc1ccc(-c2ccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000237288597 1433396122 /nfs/dbraw/zinc/39/61/22/1433396122.db2.gz ODPYIBUKUZDTEW-GFCCVEGCSA-N 1 1 375.425 3.256 20 5 GGBDMO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000237549703 1433408769 /nfs/dbraw/zinc/40/87/69/1433408769.db2.gz TVVSDLNWEIDLRC-KBPBESRZSA-N 1 1 389.477 3.196 20 5 GGBDMO O=C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCc2ccccc21 ZINC000237817859 1433425706 /nfs/dbraw/zinc/42/57/06/1433425706.db2.gz YRZVXDCOZIVPLW-UHFFFAOYSA-N 1 1 391.374 3.265 20 5 GGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1 ZINC000237977204 1433437728 /nfs/dbraw/zinc/43/77/28/1433437728.db2.gz DVXCFALFKCBDKS-UHFFFAOYSA-N 1 1 395.506 3.121 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245413038 1433463224 /nfs/dbraw/zinc/46/32/24/1433463224.db2.gz BBSOHGQOJLZVDV-KGLIPLIRSA-N 1 1 382.892 3.239 20 5 GGBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245426072 1433465801 /nfs/dbraw/zinc/46/58/01/1433465801.db2.gz FPRZUGREWPWMDL-AAEUAGOBSA-N 1 1 384.383 3.287 20 5 GGBDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000245432047 1433466545 /nfs/dbraw/zinc/46/65/45/1433466545.db2.gz BBYYBOYVWAGNTM-JKSUJKDBSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000245432047 1433466548 /nfs/dbraw/zinc/46/65/48/1433466548.db2.gz BBYYBOYVWAGNTM-JKSUJKDBSA-N 1 1 383.452 3.120 20 5 GGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245441149 1433468456 /nfs/dbraw/zinc/46/84/56/1433468456.db2.gz HCCKQTRPLFCOLP-ZIAGYGMSSA-N 1 1 382.892 3.381 20 5 GGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245445776 1433469212 /nfs/dbraw/zinc/46/92/12/1433469212.db2.gz KQKMUIZLVIKMLZ-SJLPKXTDSA-N 1 1 383.448 3.461 20 5 GGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245445776 1433469216 /nfs/dbraw/zinc/46/92/16/1433469216.db2.gz KQKMUIZLVIKMLZ-SJLPKXTDSA-N 1 1 383.448 3.461 20 5 GGBDMO O=C1[C@@H]([N@H+]2CC[C@H](COCc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245449635 1433470252 /nfs/dbraw/zinc/47/02/52/1433470252.db2.gz NWKXGVFKDMBYHM-RXVVDRJESA-N 1 1 395.459 3.239 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245454036 1433470847 /nfs/dbraw/zinc/47/08/47/1433470847.db2.gz RPRCNYTYNSXJIZ-SJLPKXTDSA-N 1 1 383.448 3.461 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)nc1 ZINC000245640111 1433494113 /nfs/dbraw/zinc/49/41/13/1433494113.db2.gz SCYXPPOBODYQQZ-FXAWDEMLSA-N 1 1 398.463 3.234 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)nc1 ZINC000245640120 1433494147 /nfs/dbraw/zinc/49/41/47/1433494147.db2.gz SCYXPPOBODYQQZ-YLJYHZDGSA-N 1 1 398.463 3.234 20 5 GGBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245741085 1433509362 /nfs/dbraw/zinc/50/93/62/1433509362.db2.gz RNJQSIKICKURPN-PKOBYXMFSA-N 1 1 394.475 3.304 20 5 GGBDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245897661 1433537391 /nfs/dbraw/zinc/53/73/91/1433537391.db2.gz STILKUFTWCYCDI-PMACEKPBSA-N 1 1 383.448 3.064 20 5 GGBDMO O=C(C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245929099 1433545857 /nfs/dbraw/zinc/54/58/57/1433545857.db2.gz UPNIVVNRLCMPRJ-KBPBESRZSA-N 1 1 399.900 3.173 20 5 GGBDMO O=C(C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245929099 1433545861 /nfs/dbraw/zinc/54/58/61/1433545861.db2.gz UPNIVVNRLCMPRJ-KBPBESRZSA-N 1 1 399.900 3.173 20 5 GGBDMO C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246024811 1433558992 /nfs/dbraw/zinc/55/89/92/1433558992.db2.gz KRCHYAGLCQXYFI-ZWOKBUDYSA-N 1 1 396.491 3.025 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246103967 1433569206 /nfs/dbraw/zinc/56/92/06/1433569206.db2.gz CJINUNPQNSJZBB-SWLSCSKDSA-N 1 1 389.843 3.157 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246103967 1433569207 /nfs/dbraw/zinc/56/92/07/1433569207.db2.gz CJINUNPQNSJZBB-SWLSCSKDSA-N 1 1 389.843 3.157 20 5 GGBDMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246103957 1433569244 /nfs/dbraw/zinc/56/92/44/1433569244.db2.gz CJINUNPQNSJZBB-IUODEOHRSA-N 1 1 389.843 3.157 20 5 GGBDMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246103957 1433569247 /nfs/dbraw/zinc/56/92/47/1433569247.db2.gz CJINUNPQNSJZBB-IUODEOHRSA-N 1 1 389.843 3.157 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246169691 1433577359 /nfs/dbraw/zinc/57/73/59/1433577359.db2.gz PNWWVMXGZWAPDB-GUYCJALGSA-N 1 1 383.876 3.115 20 5 GGBDMO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000246278716 1433588961 /nfs/dbraw/zinc/58/89/61/1433588961.db2.gz ATBZNNAOWQYOIS-VQIMIIECSA-N 1 1 387.411 3.261 20 5 GGBDMO O=C(C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000246278716 1433588965 /nfs/dbraw/zinc/58/89/65/1433588965.db2.gz ATBZNNAOWQYOIS-VQIMIIECSA-N 1 1 387.411 3.261 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246367557 1433601874 /nfs/dbraw/zinc/60/18/74/1433601874.db2.gz LLJNJOLSCIWFGD-QZTJIDSGSA-N 1 1 388.512 3.428 20 5 GGBDMO COc1ccccc1C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000246368810 1433602132 /nfs/dbraw/zinc/60/21/32/1433602132.db2.gz YDSFJLPYPDKWKZ-WOJBJXKFSA-N 1 1 386.448 3.318 20 5 GGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000246378592 1433603408 /nfs/dbraw/zinc/60/34/08/1433603408.db2.gz ZIGLMIYXPXMUIE-WOJBJXKFSA-N 1 1 382.416 3.457 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)C1 ZINC000246692385 1433650747 /nfs/dbraw/zinc/65/07/47/1433650747.db2.gz DFDYMZWKXZKTTM-HOCLYGCPSA-N 1 1 390.484 3.028 20 5 GGBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000246737971 1433657802 /nfs/dbraw/zinc/65/78/02/1433657802.db2.gz ODBMIAQUXYWRET-SQNIBIBYSA-N 1 1 387.436 3.061 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246752117 1433660443 /nfs/dbraw/zinc/66/04/43/1433660443.db2.gz JLFBYTMWEZCTKB-DZGCQCFKSA-N 1 1 383.876 3.115 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246796883 1433668343 /nfs/dbraw/zinc/66/83/43/1433668343.db2.gz MPSZZWWAEFVIDN-OXJNMPFZSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246796883 1433668353 /nfs/dbraw/zinc/66/83/53/1433668353.db2.gz MPSZZWWAEFVIDN-OXJNMPFZSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246796883 1433668364 /nfs/dbraw/zinc/66/83/64/1433668364.db2.gz MPSZZWWAEFVIDN-OXJNMPFZSA-N 1 1 386.496 3.181 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246816852 1433673476 /nfs/dbraw/zinc/67/34/76/1433673476.db2.gz OMMSDZCEEXIQPU-XJKSGUPXSA-N 1 1 383.876 3.115 20 5 GGBDMO Cc1nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000246924316 1433687855 /nfs/dbraw/zinc/68/78/55/1433687855.db2.gz GWNWQIUEOYCHQR-PMACEKPBSA-N 1 1 383.496 3.352 20 5 GGBDMO Cc1nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000246924329 1433687860 /nfs/dbraw/zinc/68/78/60/1433687860.db2.gz GWNWQIUEOYCHQR-VQTJNVASSA-N 1 1 383.496 3.352 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000247207682 1433690956 /nfs/dbraw/zinc/69/09/56/1433690956.db2.gz UVQNLDWLKZEJQF-ROUUACIJSA-N 1 1 398.511 3.397 20 5 GGBDMO O=C(C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000247291402 1433701099 /nfs/dbraw/zinc/70/10/99/1433701099.db2.gz FBXPRABGBVPGKR-CRAIPNDOSA-N 1 1 387.436 3.495 20 5 GGBDMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000247291402 1433701108 /nfs/dbraw/zinc/70/11/08/1433701108.db2.gz FBXPRABGBVPGKR-CRAIPNDOSA-N 1 1 387.436 3.495 20 5 GGBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000247504791 1433730642 /nfs/dbraw/zinc/73/06/42/1433730642.db2.gz MAIPCPNCXFTMMN-CTNGQTDRSA-N 1 1 385.464 3.238 20 5 GGBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247580496 1433738761 /nfs/dbraw/zinc/73/87/61/1433738761.db2.gz LHTAKWJLMULYNH-ZEVBXJOLSA-N 1 1 386.448 3.185 20 5 GGBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247580496 1433738768 /nfs/dbraw/zinc/73/87/68/1433738768.db2.gz LHTAKWJLMULYNH-ZEVBXJOLSA-N 1 1 386.448 3.185 20 5 GGBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000247687868 1433746690 /nfs/dbraw/zinc/74/66/90/1433746690.db2.gz VIJGAICWTCSZFW-WBMJQRKESA-N 1 1 386.374 3.254 20 5 GGBDMO CN1CCO[C@@H]([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)C1 ZINC000247710103 1433747567 /nfs/dbraw/zinc/74/75/67/1433747567.db2.gz RSJORAKDEFZBCA-MOPGFXCFSA-N 1 1 375.856 3.410 20 5 GGBDMO CN1CCO[C@H]([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)C1 ZINC000247710107 1433747647 /nfs/dbraw/zinc/74/76/47/1433747647.db2.gz RSJORAKDEFZBCA-OALUTQOASA-N 1 1 375.856 3.410 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000247776825 1433750534 /nfs/dbraw/zinc/75/05/34/1433750534.db2.gz WYQVTFFTEWBCGK-SWLSCSKDSA-N 1 1 396.394 3.484 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000247776825 1433750540 /nfs/dbraw/zinc/75/05/40/1433750540.db2.gz WYQVTFFTEWBCGK-SWLSCSKDSA-N 1 1 396.394 3.484 20 5 GGBDMO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000247930292 1433757287 /nfs/dbraw/zinc/75/72/87/1433757287.db2.gz BZHCNLFGVAOBSA-TZMCWYRMSA-N 1 1 385.411 3.121 20 5 GGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000248015488 1433763479 /nfs/dbraw/zinc/76/34/79/1433763479.db2.gz SJLLPGBNVQMVMG-ROUUACIJSA-N 1 1 391.515 3.391 20 5 GGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000248179101 1433777749 /nfs/dbraw/zinc/77/77/49/1433777749.db2.gz WCFSFRJNFOGHJU-WMLDXEAASA-N 1 1 386.477 3.275 20 5 GGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000248199931 1433780240 /nfs/dbraw/zinc/78/02/40/1433780240.db2.gz YISQQSYARDEXQU-WMLDXEAASA-N 1 1 386.477 3.275 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000248373968 1433788947 /nfs/dbraw/zinc/78/89/47/1433788947.db2.gz MWHXDWKPTOTUMX-JKSUJKDBSA-N 1 1 392.477 3.077 20 5 GGBDMO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000248385727 1433792083 /nfs/dbraw/zinc/79/20/83/1433792083.db2.gz JSXXWYIAXQPPOR-VQTJNVASSA-N 1 1 388.512 3.004 20 5 GGBDMO CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000248439182 1433802825 /nfs/dbraw/zinc/80/28/25/1433802825.db2.gz CFZIDWHFRWPEKV-UONOGXRCSA-N 1 1 379.482 3.355 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248573609 1433809164 /nfs/dbraw/zinc/80/91/64/1433809164.db2.gz NSLGJUJQAGPUJM-YQQAZPJKSA-N 1 1 376.457 3.009 20 5 GGBDMO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000248628248 1433812452 /nfs/dbraw/zinc/81/24/52/1433812452.db2.gz QMNUCOAVUUNCNS-QZTJIDSGSA-N 1 1 388.855 3.493 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248638340 1433812986 /nfs/dbraw/zinc/81/29/86/1433812986.db2.gz LIYQRCFQMNHGBU-YESZJQIVSA-N 1 1 390.484 3.317 20 5 GGBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248736808 1433818777 /nfs/dbraw/zinc/81/87/77/1433818777.db2.gz BTJTWHJRCSDLOX-HOCLYGCPSA-N 1 1 385.468 3.005 20 5 GGBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248736808 1433818778 /nfs/dbraw/zinc/81/87/78/1433818778.db2.gz BTJTWHJRCSDLOX-HOCLYGCPSA-N 1 1 385.468 3.005 20 5 GGBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248736808 1433818779 /nfs/dbraw/zinc/81/87/79/1433818779.db2.gz BTJTWHJRCSDLOX-HOCLYGCPSA-N 1 1 385.468 3.005 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000248820244 1433823890 /nfs/dbraw/zinc/82/38/90/1433823890.db2.gz LGYYYXNCDQSWFV-YVEFUNNKSA-N 1 1 375.375 3.123 20 5 GGBDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248950566 1433830460 /nfs/dbraw/zinc/83/04/60/1433830460.db2.gz ZUAUONFKPWUGDK-QEEYODRMSA-N 1 1 385.439 3.474 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000249139800 1433837089 /nfs/dbraw/zinc/83/70/89/1433837089.db2.gz XQILRWSSLRIHCA-BEFAXECRSA-N 1 1 386.448 3.385 20 5 GGBDMO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000249501592 1433845174 /nfs/dbraw/zinc/84/51/74/1433845174.db2.gz ASXJTGAFJFOZIN-CABCVRRESA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000249501592 1433845175 /nfs/dbraw/zinc/84/51/75/1433845175.db2.gz ASXJTGAFJFOZIN-CABCVRRESA-N 1 1 385.420 3.084 20 5 GGBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000249742787 1433850681 /nfs/dbraw/zinc/85/06/81/1433850681.db2.gz JXFSXRVEXHVKBH-WBAXXEDZSA-N 1 1 389.452 3.038 20 5 GGBDMO COc1ccc(CSCC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000249742651 1433850692 /nfs/dbraw/zinc/85/06/92/1433850692.db2.gz JUUZFYFDHMTFIZ-LSDHHAIUSA-N 1 1 395.525 3.073 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000250080147 1433854281 /nfs/dbraw/zinc/85/42/81/1433854281.db2.gz OZPIXMBTKRCKGV-HNAYVOBHSA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000250080147 1433854282 /nfs/dbraw/zinc/85/42/82/1433854282.db2.gz OZPIXMBTKRCKGV-HNAYVOBHSA-N 1 1 386.448 3.385 20 5 GGBDMO CC(C)c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000251924984 1433861495 /nfs/dbraw/zinc/86/14/95/1433861495.db2.gz SQBAJJHWZTXRSM-JFIYKMOQSA-N 1 1 389.496 3.432 20 5 GGBDMO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000261928325 1433913888 /nfs/dbraw/zinc/91/38/88/1433913888.db2.gz JGUWGRHBFJPZFW-MRXNPFEDSA-N 1 1 375.812 3.044 20 5 GGBDMO COc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000261997935 1433920474 /nfs/dbraw/zinc/92/04/74/1433920474.db2.gz POVBYXDDSNWMFM-MRXNPFEDSA-N 1 1 375.812 3.044 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262079592 1433926382 /nfs/dbraw/zinc/92/63/82/1433926382.db2.gz XLVYDXJCISSQRF-IBGZPJMESA-N 1 1 386.427 3.099 20 5 GGBDMO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263517225 1434010769 /nfs/dbraw/zinc/01/07/69/1434010769.db2.gz PEZMSVUEWIBYEI-MRXNPFEDSA-N 1 1 387.436 3.226 20 5 GGBDMO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263517225 1434010772 /nfs/dbraw/zinc/01/07/72/1434010772.db2.gz PEZMSVUEWIBYEI-MRXNPFEDSA-N 1 1 387.436 3.226 20 5 GGBDMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263517225 1434010776 /nfs/dbraw/zinc/01/07/76/1434010776.db2.gz PEZMSVUEWIBYEI-MRXNPFEDSA-N 1 1 387.436 3.226 20 5 GGBDMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263517225 1434010780 /nfs/dbraw/zinc/01/07/80/1434010780.db2.gz PEZMSVUEWIBYEI-MRXNPFEDSA-N 1 1 387.436 3.226 20 5 GGBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263848816 1434041466 /nfs/dbraw/zinc/04/14/66/1434041466.db2.gz YBMVMJBDSJIVIM-OKILXGFUSA-N 1 1 395.887 3.210 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1SC ZINC000264168704 1434077849 /nfs/dbraw/zinc/07/78/49/1434077849.db2.gz PAXRSZLGGQXTHS-QWHCGFSZSA-N 1 1 381.498 3.176 20 5 GGBDMO C[N@@H+](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCC1 ZINC000264188809 1434079819 /nfs/dbraw/zinc/07/98/19/1434079819.db2.gz OCEMZUSEVJEYID-UHFFFAOYSA-N 1 1 377.488 3.145 20 5 GGBDMO Cc1c(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000264606771 1434134055 /nfs/dbraw/zinc/13/40/55/1434134055.db2.gz DLBAOMYTVXXPJL-IIAWOOMASA-N 1 1 376.457 3.009 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000264726433 1434148703 /nfs/dbraw/zinc/14/87/03/1434148703.db2.gz HKAQHUKOXCBPKS-UHFFFAOYSA-N 1 1 399.447 3.136 20 5 GGBDMO COc1ccc(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000264950751 1434166975 /nfs/dbraw/zinc/16/69/75/1434166975.db2.gz LCUSCYVBZSASRC-UHFFFAOYSA-N 1 1 383.448 3.340 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c2ccncc21 ZINC000265755989 1434262887 /nfs/dbraw/zinc/26/28/87/1434262887.db2.gz DUNIYYZUSVDABZ-PXNSSMCTSA-N 1 1 392.459 3.438 20 5 GGBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265862368 1434274371 /nfs/dbraw/zinc/27/43/71/1434274371.db2.gz ZIHMHZZVDUYXGY-UHFFFAOYSA-N 1 1 379.420 3.078 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266002827 1434295259 /nfs/dbraw/zinc/29/52/59/1434295259.db2.gz JTKGANOTOMDYRN-ZDUSSCGKSA-N 1 1 381.860 3.468 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC2(CCOCC2)C1 ZINC000266002827 1434295262 /nfs/dbraw/zinc/29/52/62/1434295262.db2.gz JTKGANOTOMDYRN-ZDUSSCGKSA-N 1 1 381.860 3.468 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000266002305 1434295318 /nfs/dbraw/zinc/29/53/18/1434295318.db2.gz OLFHCPXOLPVZKZ-UHFFFAOYSA-N 1 1 385.420 3.160 20 5 GGBDMO COc1ccc(OCC[N@H+](C)CC(=O)Nc2c(C)cccc2C)c([N+](=O)[O-])c1 ZINC000266608754 1434354052 /nfs/dbraw/zinc/35/40/52/1434354052.db2.gz BRFCEOIWNLTOAZ-UHFFFAOYSA-N 1 1 387.436 3.170 20 5 GGBDMO COc1ccc(OCC[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c([N+](=O)[O-])c1 ZINC000266608754 1434354055 /nfs/dbraw/zinc/35/40/55/1434354055.db2.gz BRFCEOIWNLTOAZ-UHFFFAOYSA-N 1 1 387.436 3.170 20 5 GGBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266915262 1434388175 /nfs/dbraw/zinc/38/81/75/1434388175.db2.gz XFIYKXBMIJOTII-KGLIPLIRSA-N 1 1 377.466 3.257 20 5 GGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266958136 1434392912 /nfs/dbraw/zinc/39/29/12/1434392912.db2.gz VWOGNNMBAIPQHJ-NEPJUHHUSA-N 1 1 377.832 3.178 20 5 GGBDMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267017075 1434399155 /nfs/dbraw/zinc/39/91/55/1434399155.db2.gz PCIFKCSRDAUPGH-UHFFFAOYSA-N 1 1 389.402 3.401 20 5 GGBDMO COCCOc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000268861436 1434565619 /nfs/dbraw/zinc/56/56/19/1434565619.db2.gz JQVCJIGEUIWUAV-CQSZACIVSA-N 1 1 390.436 3.488 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000268869990 1434566460 /nfs/dbraw/zinc/56/64/60/1434566460.db2.gz LEVPHCHGMFHBTL-GFCCVEGCSA-N 1 1 376.409 3.480 20 5 GGBDMO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269282990 1434617635 /nfs/dbraw/zinc/61/76/35/1434617635.db2.gz MGAHRIGBPGRDTF-UHFFFAOYSA-N 1 1 387.461 3.410 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269434139 1434645407 /nfs/dbraw/zinc/64/54/07/1434645407.db2.gz CMIZPMFKJJIEKR-INIZCTEOSA-N 1 1 385.468 3.035 20 5 GGBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269434139 1434645408 /nfs/dbraw/zinc/64/54/08/1434645408.db2.gz CMIZPMFKJJIEKR-INIZCTEOSA-N 1 1 385.468 3.035 20 5 GGBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269434139 1434645409 /nfs/dbraw/zinc/64/54/09/1434645409.db2.gz CMIZPMFKJJIEKR-INIZCTEOSA-N 1 1 385.468 3.035 20 5 GGBDMO CC(C)c1[nH]nc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000269441729 1434646248 /nfs/dbraw/zinc/64/62/48/1434646248.db2.gz PMISENQOYXTTMM-UHFFFAOYSA-N 1 1 389.481 3.242 20 5 GGBDMO CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000269486158 1434652565 /nfs/dbraw/zinc/65/25/65/1434652565.db2.gz KZFGEYQRWNLTOH-UHFFFAOYSA-N 1 1 385.468 3.178 20 5 GGBDMO CC(C)[NH+]1CCN(C2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC000270846004 1434781155 /nfs/dbraw/zinc/78/11/55/1434781155.db2.gz FYLXNOGTNJYRGF-UHFFFAOYSA-N 1 1 380.920 3.239 20 5 GGBDMO C[C@H](Nc1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000270925292 1434788250 /nfs/dbraw/zinc/78/82/50/1434788250.db2.gz OUJWCSVNTWOAIE-HNNXBMFYSA-N 1 1 397.479 3.329 20 5 GGBDMO C[C@H](Nc1ccc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000270925292 1434788252 /nfs/dbraw/zinc/78/82/52/1434788252.db2.gz OUJWCSVNTWOAIE-HNNXBMFYSA-N 1 1 397.479 3.329 20 5 GGBDMO CCOc1ccc([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000271199049 1434807626 /nfs/dbraw/zinc/80/76/26/1434807626.db2.gz YYAGDHNIZRDVCJ-INIZCTEOSA-N 1 1 377.485 3.289 20 5 GGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000271553219 1434834371 /nfs/dbraw/zinc/83/43/71/1434834371.db2.gz VHYAANSADQPHCG-AYBZRNKSSA-N 1 1 393.553 3.433 20 5 GGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000271553223 1434834417 /nfs/dbraw/zinc/83/44/17/1434834417.db2.gz VHYAANSADQPHCG-SUMDDJOVSA-N 1 1 393.553 3.433 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272214197 1434878552 /nfs/dbraw/zinc/87/85/52/1434878552.db2.gz AUBWZKUYMPIDPR-ZBFHGGJFSA-N 1 1 385.468 3.082 20 5 GGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272222969 1434879008 /nfs/dbraw/zinc/87/90/08/1434879008.db2.gz AGCWDQKJCXLNMM-CHWSQXEVSA-N 1 1 390.440 3.471 20 5 GGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272222969 1434879010 /nfs/dbraw/zinc/87/90/10/1434879010.db2.gz AGCWDQKJCXLNMM-CHWSQXEVSA-N 1 1 390.440 3.471 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272363802 1434890561 /nfs/dbraw/zinc/89/05/61/1434890561.db2.gz SMYSYRBZAQFZAB-WBVHZDCISA-N 1 1 383.448 3.244 20 5 GGBDMO COc1ccc(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1O ZINC000272465621 1434898117 /nfs/dbraw/zinc/89/81/17/1434898117.db2.gz REKJMKKNHYNRMN-UHFFFAOYSA-N 1 1 398.362 3.251 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272486539 1434899746 /nfs/dbraw/zinc/89/97/46/1434899746.db2.gz DCHVMAMXIGMKID-AZUAARDMSA-N 1 1 380.448 3.174 20 5 GGBDMO Cn1ccnc1[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272487915 1434899815 /nfs/dbraw/zinc/89/98/15/1434899815.db2.gz DHCGPMLHVRRZAD-INIZCTEOSA-N 1 1 397.401 3.034 20 5 GGBDMO COc1cccc(OCCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272492172 1434900113 /nfs/dbraw/zinc/90/01/13/1434900113.db2.gz DZWKTQRQJFLJJL-HXUWFJFHSA-N 1 1 396.447 3.485 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272494709 1434900187 /nfs/dbraw/zinc/90/01/87/1434900187.db2.gz FOKRHMSECGXPNW-XLIONFOSSA-N 1 1 385.512 3.375 20 5 GGBDMO Cn1ccnc1[C@H](NC[C@H](c1ccsc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272496112 1434900488 /nfs/dbraw/zinc/90/04/88/1434900488.db2.gz FYKOWRMNCATXFA-QZTJIDSGSA-N 1 1 385.493 3.372 20 5 GGBDMO COc1cc(C[N@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000272495874 1434900526 /nfs/dbraw/zinc/90/05/26/1434900526.db2.gz VBHQGPCUXVOWIK-UHFFFAOYSA-N 1 1 386.395 3.250 20 5 GGBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000272497539 1434900991 /nfs/dbraw/zinc/90/09/91/1434900991.db2.gz GGFOOZHQHDLJCU-FQEVSTJZSA-N 1 1 394.431 3.021 20 5 GGBDMO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1O2 ZINC000272572576 1434909021 /nfs/dbraw/zinc/90/90/21/1434909021.db2.gz NFJCCSZLIQDPSG-GOSISDBHSA-N 1 1 397.431 3.018 20 5 GGBDMO COc1ccc(OCCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272578043 1434910093 /nfs/dbraw/zinc/91/00/93/1434910093.db2.gz XMWYQBWJZUGQFK-HXUWFJFHSA-N 1 1 396.447 3.485 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000272585858 1434911029 /nfs/dbraw/zinc/91/10/29/1434911029.db2.gz ZCRRKQJXCYZQJR-UYAOXDASSA-N 1 1 384.411 3.054 20 5 GGBDMO C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272732679 1434926685 /nfs/dbraw/zinc/92/66/85/1434926685.db2.gz BXOGCAHBQWVBLU-KGLIPLIRSA-N 1 1 381.498 3.063 20 5 GGBDMO COc1ccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272871377 1434937733 /nfs/dbraw/zinc/93/77/33/1434937733.db2.gz WRAHLDFEAPHJRY-GDBMZVCRSA-N 1 1 390.484 3.056 20 5 GGBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)CCOc3ccccc3[N+](=O)[O-])sc2C1 ZINC000273000903 1434948495 /nfs/dbraw/zinc/94/84/95/1434948495.db2.gz HLROHJZMGCSUCW-UHFFFAOYSA-N 1 1 390.465 3.225 20 5 GGBDMO CC(C)[N@H+]1CCc2nc(NC(=O)CCOc3ccccc3[N+](=O)[O-])sc2C1 ZINC000273000903 1434948498 /nfs/dbraw/zinc/94/84/98/1434948498.db2.gz HLROHJZMGCSUCW-UHFFFAOYSA-N 1 1 390.465 3.225 20 5 GGBDMO CCOc1cc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OCC ZINC000273060373 1434956321 /nfs/dbraw/zinc/95/63/21/1434956321.db2.gz YJLPYUFQGKPDRS-ZDUSSCGKSA-N 1 1 392.456 3.164 20 5 GGBDMO COc1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000273130462 1434964546 /nfs/dbraw/zinc/96/45/46/1434964546.db2.gz RHMMUPBCNCRMEF-ZDUSSCGKSA-N 1 1 386.326 3.167 20 5 GGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cnc(Cl)s4)CC3)nc2c1 ZINC000273918172 1435028616 /nfs/dbraw/zinc/02/86/16/1435028616.db2.gz BDHKPWXYWCUNKL-UHFFFAOYSA-N 1 1 392.872 3.293 20 5 GGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4cnc(Cl)s4)CC3)nc2c1 ZINC000273918172 1435028617 /nfs/dbraw/zinc/02/86/17/1435028617.db2.gz BDHKPWXYWCUNKL-UHFFFAOYSA-N 1 1 392.872 3.293 20 5 GGBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000274424472 1435070207 /nfs/dbraw/zinc/07/02/07/1435070207.db2.gz DXDGSEWMFFAIJO-QGZVFWFLSA-N 1 1 377.488 3.144 20 5 GGBDMO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000274497366 1435074966 /nfs/dbraw/zinc/07/49/66/1435074966.db2.gz UMWBOQGZZKQTLY-GFCCVEGCSA-N 1 1 392.383 3.145 20 5 GGBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275477147 1435142102 /nfs/dbraw/zinc/14/21/02/1435142102.db2.gz SKSHWCGTHRPXBZ-HNNXBMFYSA-N 1 1 393.487 3.011 20 5 GGBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275477147 1435142103 /nfs/dbraw/zinc/14/21/03/1435142103.db2.gz SKSHWCGTHRPXBZ-HNNXBMFYSA-N 1 1 393.487 3.011 20 5 GGBDMO C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1CC(C)(C)O ZINC000275702631 1435161165 /nfs/dbraw/zinc/16/11/65/1435161165.db2.gz VIDSNSOIQYGECG-OAHLLOKOSA-N 1 1 393.487 3.011 20 5 GGBDMO C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+]1CC(C)(C)O ZINC000275702631 1435161167 /nfs/dbraw/zinc/16/11/67/1435161167.db2.gz VIDSNSOIQYGECG-OAHLLOKOSA-N 1 1 393.487 3.011 20 5 GGBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000276118834 1435192249 /nfs/dbraw/zinc/19/22/49/1435192249.db2.gz XPLDRHYEIVBRFS-UHFFFAOYSA-N 1 1 389.477 3.075 20 5 GGBDMO CC(C)N1CC[NH+](C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)CC1 ZINC000276722606 1435227855 /nfs/dbraw/zinc/22/78/55/1435227855.db2.gz ZQQNNGPYRRJYHQ-UHFFFAOYSA-N 1 1 383.496 3.138 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000276854818 1435237886 /nfs/dbraw/zinc/23/78/86/1435237886.db2.gz FKAVQLRLDBMXIV-UHFFFAOYSA-N 1 1 396.403 3.153 20 5 GGBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCCO1 ZINC000277581946 1435314228 /nfs/dbraw/zinc/31/42/28/1435314228.db2.gz OPEVJOOSFBMHBQ-INIZCTEOSA-N 1 1 393.487 3.324 20 5 GGBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCCO1 ZINC000277581950 1435314365 /nfs/dbraw/zinc/31/43/65/1435314365.db2.gz OPEVJOOSFBMHBQ-MRXNPFEDSA-N 1 1 393.487 3.324 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000277656615 1435319568 /nfs/dbraw/zinc/31/95/68/1435319568.db2.gz VUTVSOXYSPFXEX-UHFFFAOYSA-N 1 1 376.438 3.079 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000277656615 1435319570 /nfs/dbraw/zinc/31/95/70/1435319570.db2.gz VUTVSOXYSPFXEX-UHFFFAOYSA-N 1 1 376.438 3.079 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000277687571 1435321940 /nfs/dbraw/zinc/32/19/40/1435321940.db2.gz ZDZSMEXJKQRSML-CQSZACIVSA-N 1 1 385.420 3.249 20 5 GGBDMO C[C@H]1C[N@@H+](CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000278005609 1435349538 /nfs/dbraw/zinc/34/95/38/1435349538.db2.gz VMVOTFJSYKNJLA-HNNXBMFYSA-N 1 1 390.509 3.309 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000278060022 1435355212 /nfs/dbraw/zinc/35/52/12/1435355212.db2.gz KCBJDYHZZKNWTP-UHFFFAOYSA-N 1 1 399.447 3.446 20 5 GGBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000278189706 1435367882 /nfs/dbraw/zinc/36/78/82/1435367882.db2.gz HUSYLEPPJOPTGY-WFASDCNBSA-N 1 1 394.428 3.238 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000278189706 1435367887 /nfs/dbraw/zinc/36/78/87/1435367887.db2.gz HUSYLEPPJOPTGY-WFASDCNBSA-N 1 1 394.428 3.238 20 5 GGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000278202700 1435369139 /nfs/dbraw/zinc/36/91/39/1435369139.db2.gz JIILVOIDWNWFDK-UHFFFAOYSA-N 1 1 398.419 3.240 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000278259630 1435374355 /nfs/dbraw/zinc/37/43/55/1435374355.db2.gz HKOZWKKMLYMYFQ-UHFFFAOYSA-N 1 1 394.431 3.323 20 5 GGBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000278343112 1435381862 /nfs/dbraw/zinc/38/18/62/1435381862.db2.gz JELQJLSMQYQEEU-CQSZACIVSA-N 1 1 396.369 3.187 20 5 GGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278473277 1435393496 /nfs/dbraw/zinc/39/34/96/1435393496.db2.gz HQDDPMAQZUZPNW-STQMWFEESA-N 1 1 394.428 3.238 20 5 GGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278473277 1435393498 /nfs/dbraw/zinc/39/34/98/1435393498.db2.gz HQDDPMAQZUZPNW-STQMWFEESA-N 1 1 394.428 3.238 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000278649898 1435410056 /nfs/dbraw/zinc/41/00/56/1435410056.db2.gz JOEIZQGHBGTPEK-UHFFFAOYSA-N 1 1 385.420 3.208 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000278704423 1435415605 /nfs/dbraw/zinc/41/56/05/1435415605.db2.gz TXZQHIQSTQSKLA-UHFFFAOYSA-N 1 1 395.419 3.392 20 5 GGBDMO C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1=CC[N@@H+](C)CC1 ZINC000278767731 1435421792 /nfs/dbraw/zinc/42/17/92/1435421792.db2.gz UGNZEWYRUVVPSI-NSHDSACASA-N 1 1 386.374 3.063 20 5 GGBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)CCCCCO ZINC000278776909 1435422682 /nfs/dbraw/zinc/42/26/82/1435422682.db2.gz CTVZOLGKXBMRMY-ZDUSSCGKSA-N 1 1 392.481 3.140 20 5 GGBDMO CCOC(=O)c1ccnc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1[N+](=O)[O-] ZINC000278820954 1435427053 /nfs/dbraw/zinc/42/70/53/1435427053.db2.gz JDFQBHJGVCPLCB-UHFFFAOYSA-N 1 1 399.451 3.083 20 5 GGBDMO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000278856958 1435431966 /nfs/dbraw/zinc/43/19/66/1435431966.db2.gz GCSFIZBDSHAPQP-KOLCDFICSA-N 1 1 391.371 3.161 20 5 GGBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000278864320 1435432945 /nfs/dbraw/zinc/43/29/45/1435432945.db2.gz NLYXLPUUTISJCW-OAHLLOKOSA-N 1 1 389.496 3.218 20 5 GGBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000278864316 1435432971 /nfs/dbraw/zinc/43/29/71/1435432971.db2.gz NLYXLPUUTISJCW-HNNXBMFYSA-N 1 1 389.496 3.218 20 5 GGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000279095338 1435459873 /nfs/dbraw/zinc/45/98/73/1435459873.db2.gz UHXRWCOZFFLNBQ-LBPRGKRZSA-N 1 1 388.390 3.097 20 5 GGBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000279167569 1435466775 /nfs/dbraw/zinc/46/67/75/1435466775.db2.gz GTKIXYNCGPCDAA-UHFFFAOYSA-N 1 1 390.440 3.117 20 5 GGBDMO C[C@H]1OCC[C@]12C[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C[C@@H](C)O2 ZINC000279787402 1435543142 /nfs/dbraw/zinc/54/31/42/1435543142.db2.gz OALHQKCJIIKVJM-SXGZJXTBSA-N 1 1 387.436 3.061 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000279806022 1435545606 /nfs/dbraw/zinc/54/56/06/1435545606.db2.gz WXTXSZFNFXQHGH-CYBMUJFWSA-N 1 1 389.477 3.232 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000279806022 1435545610 /nfs/dbraw/zinc/54/56/10/1435545610.db2.gz WXTXSZFNFXQHGH-CYBMUJFWSA-N 1 1 389.477 3.232 20 5 GGBDMO C[N@@H+]1CC=C(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000280270382 1435622904 /nfs/dbraw/zinc/62/29/04/1435622904.db2.gz ONHCVSVYDVLUAS-UHFFFAOYSA-N 1 1 381.432 3.166 20 5 GGBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000280617900 1435690547 /nfs/dbraw/zinc/69/05/47/1435690547.db2.gz BITMOMOGBVIMNE-HNNXBMFYSA-N 1 1 391.468 3.139 20 5 GGBDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280682397 1435703277 /nfs/dbraw/zinc/70/32/77/1435703277.db2.gz NMWJZAHECCCOGQ-BEFAXECRSA-N 1 1 376.478 3.476 20 5 GGBDMO Cc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280943238 1435745399 /nfs/dbraw/zinc/74/53/99/1435745399.db2.gz WHULVCJJBZUMDC-BEFAXECRSA-N 1 1 376.478 3.476 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](OCc4ccncc4)C3)co2)cc1 ZINC000280985975 1435752005 /nfs/dbraw/zinc/75/20/05/1435752005.db2.gz LLMLEOAWNSWGMA-IBGZPJMESA-N 1 1 380.404 3.436 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](OCc4ccncc4)C3)co2)cc1 ZINC000280985975 1435752014 /nfs/dbraw/zinc/75/20/14/1435752014.db2.gz LLMLEOAWNSWGMA-IBGZPJMESA-N 1 1 380.404 3.436 20 5 GGBDMO Cc1cc(OCC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000281115149 1435777047 /nfs/dbraw/zinc/77/70/47/1435777047.db2.gz NNJHDFDCQNGWEH-JKSUJKDBSA-N 1 1 375.469 3.051 20 5 GGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281561053 1435813514 /nfs/dbraw/zinc/81/35/14/1435813514.db2.gz YFANBBRJZMLRNU-LAVBSDLTSA-N 1 1 375.469 3.183 20 5 GGBDMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282383959 1435845320 /nfs/dbraw/zinc/84/53/20/1435845320.db2.gz GEYKLOPTXXLCRD-CQSZACIVSA-N 1 1 387.436 3.114 20 5 GGBDMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282383959 1435845322 /nfs/dbraw/zinc/84/53/22/1435845322.db2.gz GEYKLOPTXXLCRD-CQSZACIVSA-N 1 1 387.436 3.114 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1 ZINC000282626691 1435854289 /nfs/dbraw/zinc/85/42/89/1435854289.db2.gz JJXZSQUOKFJISR-UHFFFAOYSA-N 1 1 398.463 3.388 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000282632075 1435854341 /nfs/dbraw/zinc/85/43/41/1435854341.db2.gz KALMRDYGBJTRAP-ZDUSSCGKSA-N 1 1 389.477 3.232 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000282632075 1435854342 /nfs/dbraw/zinc/85/43/42/1435854342.db2.gz KALMRDYGBJTRAP-ZDUSSCGKSA-N 1 1 389.477 3.232 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000282995880 1435869378 /nfs/dbraw/zinc/86/93/78/1435869378.db2.gz COVDBTZTPAQYCN-HUUCEWRRSA-N 1 1 375.469 3.376 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283890860 1435945995 /nfs/dbraw/zinc/94/59/95/1435945995.db2.gz IUPHKLVLIHQNRF-UONOGXRCSA-N 1 1 378.448 3.043 20 5 GGBDMO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000284519705 1436027626 /nfs/dbraw/zinc/02/76/26/1436027626.db2.gz WDBXUBLGKIUKNW-HNNXBMFYSA-N 1 1 386.427 3.053 20 5 GGBDMO Cc1c(NC(=O)CCN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000284672738 1436039060 /nfs/dbraw/zinc/03/90/60/1436039060.db2.gz GKYGLYDTFLSCMY-IBGZPJMESA-N 1 1 396.491 3.091 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000284672738 1436039062 /nfs/dbraw/zinc/03/90/62/1436039062.db2.gz GKYGLYDTFLSCMY-IBGZPJMESA-N 1 1 396.491 3.091 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000284672738 1436039065 /nfs/dbraw/zinc/03/90/65/1436039065.db2.gz GKYGLYDTFLSCMY-IBGZPJMESA-N 1 1 396.491 3.091 20 5 GGBDMO Cc1nc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164628388 719054494 /nfs/dbraw/zinc/05/44/94/719054494.db2.gz YJMDNHAOHVIFOE-CVEARBPZSA-N 1 1 387.871 3.447 20 5 GGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164629104 719063081 /nfs/dbraw/zinc/06/30/81/719063081.db2.gz VQCVZRHANGPMEN-JKSUJKDBSA-N 1 1 387.871 3.447 20 5 GGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164629101 719063610 /nfs/dbraw/zinc/06/36/10/719063610.db2.gz VQCVZRHANGPMEN-CVEARBPZSA-N 1 1 387.871 3.447 20 5 GGBDMO Cc1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164695739 719888691 /nfs/dbraw/zinc/88/86/91/719888691.db2.gz UIZGCUJMHGRYJT-UHFFFAOYSA-N 1 1 388.493 3.231 20 5 GGBDMO Cc1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-] ZINC001164695739 719888697 /nfs/dbraw/zinc/88/86/97/719888697.db2.gz UIZGCUJMHGRYJT-UHFFFAOYSA-N 1 1 388.493 3.231 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])C2 ZINC001164811030 720097404 /nfs/dbraw/zinc/09/74/04/720097404.db2.gz NGDVLZJWGNEEKZ-DNVCBOLYSA-N 1 1 394.903 3.136 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001164812525 720109431 /nfs/dbraw/zinc/10/94/31/720109431.db2.gz PBPRUDTXPUYGAE-AVRDEDQJSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001164815848 720142520 /nfs/dbraw/zinc/14/25/20/720142520.db2.gz WKRXWTOFAQXKEB-XMSQKQJNSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001164814168 720198856 /nfs/dbraw/zinc/19/88/56/720198856.db2.gz TYIATTGCPQCMGO-XMSQKQJNSA-N 1 1 396.491 3.328 20 5 GGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc21 ZINC001164727764 720375651 /nfs/dbraw/zinc/37/56/51/720375651.db2.gz RJHLVMZPYVMZOB-MSOLQXFVSA-N 1 1 375.432 3.391 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]2C ZINC001164858337 720924882 /nfs/dbraw/zinc/92/48/82/720924882.db2.gz MUJHTNLPNNTARY-GFCCVEGCSA-N 1 1 378.864 3.261 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc(Cl)c1[N+](=O)[O-])[C@H]2C ZINC001164853991 720925693 /nfs/dbraw/zinc/92/56/93/720925693.db2.gz DNBLGHYCVYAKMY-LBPRGKRZSA-N 1 1 378.864 3.261 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)[C@@H]2C ZINC001164862378 720974604 /nfs/dbraw/zinc/97/46/04/720974604.db2.gz SEMWNOXLCVTDOQ-CYBMUJFWSA-N 1 1 383.456 3.089 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)[C@@H]2C ZINC001164863585 720983144 /nfs/dbraw/zinc/98/31/44/720983144.db2.gz WWODILWKGUJQEU-CYBMUJFWSA-N 1 1 383.456 3.089 20 5 GGBDMO Cc1cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164785898 721400086 /nfs/dbraw/zinc/40/00/86/721400086.db2.gz NNXORAUGHTUTFK-GASCZTMLSA-N 1 1 395.488 3.476 20 5 GGBDMO Cc1cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164785898 721400090 /nfs/dbraw/zinc/40/00/90/721400090.db2.gz NNXORAUGHTUTFK-GASCZTMLSA-N 1 1 395.488 3.476 20 5 GGBDMO O=[N+]([O-])c1ccc2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc2c1 ZINC001164781714 721404144 /nfs/dbraw/zinc/40/41/44/721404144.db2.gz CXEYYRJQAXHHGC-HUUCEWRRSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1cccc2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc21 ZINC001164782173 721407004 /nfs/dbraw/zinc/40/70/04/721407004.db2.gz DYIJORTWCXEABB-GJZGRUSLSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1cccc2nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)ccc21 ZINC001164783428 721407681 /nfs/dbraw/zinc/40/76/81/721407681.db2.gz IIFADLBMYCSMMF-KBPBESRZSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1ccc2ccnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164781796 721422148 /nfs/dbraw/zinc/42/21/48/721422148.db2.gz FERHFFVLSXRVMK-GJZGRUSLSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164899060 721511258 /nfs/dbraw/zinc/51/12/58/721511258.db2.gz JUHSVVUHHLJTLO-ZBFHGGJFSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896283 721512067 /nfs/dbraw/zinc/51/20/67/721512067.db2.gz AMYLWLMBOISGNN-HOCLYGCPSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899711 721513032 /nfs/dbraw/zinc/51/30/32/721513032.db2.gz LUYFGZIRWJPHCR-UKRRQHHQSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901033 721519307 /nfs/dbraw/zinc/51/93/07/721519307.db2.gz WBMIKSOHWDGTAO-UKRRQHHQSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905236 721527134 /nfs/dbraw/zinc/52/71/34/721527134.db2.gz HDNTUIXHYNHLTC-GDBMZVCRSA-N 1 1 392.818 3.124 20 5 GGBDMO Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165025420 721800794 /nfs/dbraw/zinc/80/07/94/721800794.db2.gz OCYHFRKWDRXIAU-HQRMLTQVSA-N 1 1 381.480 3.430 20 5 GGBDMO Cc1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165025026 721801186 /nfs/dbraw/zinc/80/11/86/721801186.db2.gz NECKKPJDXWRPSA-WDSOQIARSA-N 1 1 381.480 3.430 20 5 GGBDMO COc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165026310 721804945 /nfs/dbraw/zinc/80/49/45/721804945.db2.gz QORJOLYBMHSSCZ-JQHSSLGASA-N 1 1 397.479 3.130 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164934131 721880596 /nfs/dbraw/zinc/88/05/96/721880596.db2.gz PPNLWMPPFUBIGC-IAGOWNOFSA-N 1 1 389.887 3.011 20 5 GGBDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164934131 721880598 /nfs/dbraw/zinc/88/05/98/721880598.db2.gz PPNLWMPPFUBIGC-IAGOWNOFSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164934130 721880713 /nfs/dbraw/zinc/88/07/13/721880713.db2.gz PPNLWMPPFUBIGC-DLBZAZTESA-N 1 1 389.887 3.011 20 5 GGBDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164934130 721880714 /nfs/dbraw/zinc/88/07/14/721880714.db2.gz PPNLWMPPFUBIGC-DLBZAZTESA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164929551 721888702 /nfs/dbraw/zinc/88/87/02/721888702.db2.gz BQMQHYSOYKTWGO-HZPDHXFCSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164929551 721888703 /nfs/dbraw/zinc/88/87/03/721888703.db2.gz BQMQHYSOYKTWGO-HZPDHXFCSA-N 1 1 389.887 3.011 20 5 GGBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165037470 721907421 /nfs/dbraw/zinc/90/74/21/721907421.db2.gz HKMLCNKOYDLPFC-ZDUSSCGKSA-N 1 1 376.844 3.097 20 5 GGBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc([N+](=O)[O-])ccn4)CC3)C2)cc1 ZINC001164940117 721920965 /nfs/dbraw/zinc/92/09/65/721920965.db2.gz YZWTYFMSIVMUBF-UHFFFAOYSA-N 1 1 382.464 3.170 20 5 GGBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993683 722191887 /nfs/dbraw/zinc/19/18/87/722191887.db2.gz HOTHVHBRKDLNOC-GOSISDBHSA-N 1 1 391.834 3.422 20 5 GGBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164993683 722191889 /nfs/dbraw/zinc/19/18/89/722191889.db2.gz HOTHVHBRKDLNOC-GOSISDBHSA-N 1 1 391.834 3.422 20 5 GGBDMO COc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164993266 722197731 /nfs/dbraw/zinc/19/77/31/722197731.db2.gz DSARUYFIEHUQPS-HXUWFJFHSA-N 1 1 386.427 3.382 20 5 GGBDMO C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001589306556 953746533 /nfs/dbraw/zinc/74/65/33/953746533.db2.gz YGGRNWQIZKQPIN-APWZRJJASA-N 1 1 389.496 3.034 20 5 GGBDMO C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001589306558 953746913 /nfs/dbraw/zinc/74/69/13/953746913.db2.gz YGGRNWQIZKQPIN-LPHOPBHVSA-N 1 1 389.496 3.034 20 5 GGBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000017306067 210207934 /nfs/dbraw/zinc/20/79/34/210207934.db2.gz FHNBBHXAMQXAPD-AWEZNQCLSA-N 1 1 395.419 3.235 20 5 GGBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000017306067 210207943 /nfs/dbraw/zinc/20/79/43/210207943.db2.gz FHNBBHXAMQXAPD-AWEZNQCLSA-N 1 1 395.419 3.235 20 5 GGBDMO Cc1ccc2c(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc(=O)oc2c1 ZINC000016515426 210190545 /nfs/dbraw/zinc/19/05/45/210190545.db2.gz IZQQSMGQLJMMTM-UHFFFAOYSA-N 1 1 379.416 3.332 20 5 GGBDMO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000359901016 209202580 /nfs/dbraw/zinc/20/25/80/209202580.db2.gz QBTPWUMHLSDBOZ-IFXJQAMLSA-N 1 1 379.420 3.035 20 5 GGBDMO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000359901017 209201762 /nfs/dbraw/zinc/20/17/62/209201762.db2.gz QBTPWUMHLSDBOZ-KUHUBIRLSA-N 1 1 379.420 3.035 20 5 GGBDMO O=[N+]([O-])c1cc(CNc2[nH+]cccc2N2CCOCC2)ccc1Br ZINC000359870083 209197166 /nfs/dbraw/zinc/19/71/66/209197166.db2.gz LIPRSCKHGSOVAE-UHFFFAOYSA-N 1 1 393.241 3.201 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000095945711 211284136 /nfs/dbraw/zinc/28/41/36/211284136.db2.gz HCSCHHLSRJQQEU-UHFFFAOYSA-N 1 1 376.457 3.060 20 5 GGBDMO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000073198156 211125928 /nfs/dbraw/zinc/12/59/28/211125928.db2.gz GCCMWEDCWKHMTC-UHFFFAOYSA-N 1 1 379.416 3.029 20 5 GGBDMO CCC(CC)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000030940912 210561483 /nfs/dbraw/zinc/56/14/83/210561483.db2.gz IOSAQIPLXVQROB-QGZVFWFLSA-N 1 1 383.876 3.115 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3Br)C2)nc1 ZINC000118866264 564247383 /nfs/dbraw/zinc/24/73/83/564247383.db2.gz YIVYKJUJHQJLKS-ZDUSSCGKSA-N 1 1 377.242 3.439 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3Br)C2)nc1 ZINC000118866264 564247385 /nfs/dbraw/zinc/24/73/85/564247385.db2.gz YIVYKJUJHQJLKS-ZDUSSCGKSA-N 1 1 377.242 3.439 20 5 GGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000119504161 564274329 /nfs/dbraw/zinc/27/43/29/564274329.db2.gz FDDYHRLCZXSSNR-LBPRGKRZSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCC[C@H](C)C1 ZINC000120382862 564317859 /nfs/dbraw/zinc/31/78/59/564317859.db2.gz JYJWSZBUSNDNOU-STQMWFEESA-N 1 1 398.301 3.136 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000120411784 564319114 /nfs/dbraw/zinc/31/91/14/564319114.db2.gz HSVJQIRIYKVTRQ-UHFFFAOYSA-N 1 1 395.257 3.001 20 5 GGBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120933923 564344429 /nfs/dbraw/zinc/34/44/29/564344429.db2.gz POTIUTAZGOAQJZ-ZDUSSCGKSA-N 1 1 382.258 3.104 20 5 GGBDMO C[N@@H+](CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000028049714 564359839 /nfs/dbraw/zinc/35/98/39/564359839.db2.gz WDTNJDKFILNCLD-UHFFFAOYSA-N 1 1 389.905 3.181 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)o1 ZINC000030217589 564377925 /nfs/dbraw/zinc/37/79/25/564377925.db2.gz INOMXFMYJJNQPQ-UHFFFAOYSA-N 1 1 382.214 3.411 20 5 GGBDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000030435282 564380725 /nfs/dbraw/zinc/38/07/25/564380725.db2.gz ITNOOVGOOPQPJS-INIZCTEOSA-N 1 1 383.495 3.018 20 5 GGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000032428856 564399133 /nfs/dbraw/zinc/39/91/33/564399133.db2.gz RFICZXDUWVTYGS-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000032428856 564399135 /nfs/dbraw/zinc/39/91/35/564399135.db2.gz RFICZXDUWVTYGS-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000122792138 564428057 /nfs/dbraw/zinc/42/80/57/564428057.db2.gz YRQVITXOHFGGLY-LBPRGKRZSA-N 1 1 384.274 3.161 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000125856393 564528997 /nfs/dbraw/zinc/52/89/97/564528997.db2.gz DXGKOHABTPWUAA-CYBMUJFWSA-N 1 1 398.301 3.470 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000125987184 564532921 /nfs/dbraw/zinc/53/29/21/564532921.db2.gz IFMKNVXAWQGACI-QWHCGFSZSA-N 1 1 398.301 3.136 20 5 GGBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C1CC1)C1CC1 ZINC000050989584 564560859 /nfs/dbraw/zinc/56/08/59/564560859.db2.gz FVKWMLHGLURIIM-UHFFFAOYSA-N 1 1 382.258 3.416 20 5 GGBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccccc1Br ZINC000051533575 564565166 /nfs/dbraw/zinc/56/51/66/564565166.db2.gz WNLNEOKLFDVHFU-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccccc1Br ZINC000051533575 564565167 /nfs/dbraw/zinc/56/51/67/564565167.db2.gz WNLNEOKLFDVHFU-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000127119659 564574236 /nfs/dbraw/zinc/57/42/36/564574236.db2.gz GXESDTFPXPPGHJ-CABZTGNLSA-N 1 1 382.258 3.021 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000127914062 564600699 /nfs/dbraw/zinc/60/06/99/564600699.db2.gz PZSBCGUWKPUQTB-WFASDCNBSA-N 1 1 396.285 3.222 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CCc2cccs2)CC1 ZINC000055642648 564627533 /nfs/dbraw/zinc/62/75/33/564627533.db2.gz RWDZCWIWKGBIFD-UHFFFAOYSA-N 1 1 379.869 3.310 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000129892552 564663805 /nfs/dbraw/zinc/66/38/05/564663805.db2.gz JDRFARVCOZWKQW-UHFFFAOYSA-N 1 1 381.230 3.072 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000130542356 564684952 /nfs/dbraw/zinc/68/49/52/564684952.db2.gz RDVQGIUEHJYYHA-UHFFFAOYSA-N 1 1 381.230 3.025 20 5 GGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000064960332 564737469 /nfs/dbraw/zinc/73/74/69/564737469.db2.gz GFGFHSJHULWGAM-LBPRGKRZSA-N 1 1 389.905 3.037 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000132534401 564746094 /nfs/dbraw/zinc/74/60/94/564746094.db2.gz MBFSISJKYDIKAK-MRXNPFEDSA-N 1 1 392.253 3.356 20 5 GGBDMO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)n1 ZINC000091832463 564873114 /nfs/dbraw/zinc/87/31/14/564873114.db2.gz FBSFFCPJTYQSFE-GFCCVEGCSA-N 1 1 381.230 3.428 20 5 GGBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)n1 ZINC000091832463 564873116 /nfs/dbraw/zinc/87/31/16/564873116.db2.gz FBSFFCPJTYQSFE-GFCCVEGCSA-N 1 1 381.230 3.428 20 5 GGBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000093613478 564888371 /nfs/dbraw/zinc/88/83/71/564888371.db2.gz BXCTXKAXBOGTDD-HOTGVXAUSA-N 1 1 399.285 3.109 20 5 GGBDMO Cn1cc(Br)cc1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151444586 564920785 /nfs/dbraw/zinc/92/07/85/564920785.db2.gz IRFOKYZRABKOKW-UHFFFAOYSA-N 1 1 395.257 3.156 20 5 GGBDMO Cn1cc(Br)cc1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151555916 564926330 /nfs/dbraw/zinc/92/63/30/564926330.db2.gz XQFMUESXMXLSLZ-UHFFFAOYSA-N 1 1 395.257 3.156 20 5 GGBDMO C[N@H+](CCc1ccc(Br)cc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106861887 564989756 /nfs/dbraw/zinc/98/97/56/564989756.db2.gz LKWQBIOEURWNGV-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO C[N@@H+](CCc1ccc(Br)cc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106861887 564989758 /nfs/dbraw/zinc/98/97/58/564989758.db2.gz LKWQBIOEURWNGV-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO O=[N+]([O-])c1cc(I)ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107830632 565003090 /nfs/dbraw/zinc/00/30/90/565003090.db2.gz PRJNMKOQANOXOC-NWDGAFQWSA-N 1 1 387.221 3.238 20 5 GGBDMO O=[N+]([O-])c1cc(I)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107830629 565003257 /nfs/dbraw/zinc/00/32/57/565003257.db2.gz PRJNMKOQANOXOC-VXGBXAGGSA-N 1 1 387.221 3.238 20 5 GGBDMO O=[N+]([O-])c1cc(I)ccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000107815955 565003367 /nfs/dbraw/zinc/00/33/67/565003367.db2.gz FGEZAUCQHUKHKW-SNVBAGLBSA-N 1 1 387.221 3.096 20 5 GGBDMO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000154030904 565022768 /nfs/dbraw/zinc/02/27/68/565022768.db2.gz MHCISVFUQZSPJN-UHFFFAOYSA-N 1 1 383.857 3.419 20 5 GGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154763349 565051581 /nfs/dbraw/zinc/05/15/81/565051581.db2.gz XLCCIOLXRPKXSK-AWEZNQCLSA-N 1 1 398.301 3.281 20 5 GGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155107085 565061738 /nfs/dbraw/zinc/06/17/38/565061738.db2.gz IDBWKEWZKVNCRJ-NSHDSACASA-N 1 1 385.262 3.163 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155171447 565063335 /nfs/dbraw/zinc/06/33/35/565063335.db2.gz SWLKNMBHRNJHMW-UHFFFAOYSA-N 1 1 396.245 3.416 20 5 GGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155194686 565063886 /nfs/dbraw/zinc/06/38/86/565063886.db2.gz QKSCIRXZDDXEIT-RISCZKNCSA-N 1 1 397.273 3.305 20 5 GGBDMO Cc1ccc(NCCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)[nH+]c1 ZINC000155266161 565065535 /nfs/dbraw/zinc/06/55/35/565065535.db2.gz VFHASHJBYFCPST-UHFFFAOYSA-N 1 1 393.241 3.293 20 5 GGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000183617785 565081934 /nfs/dbraw/zinc/08/19/34/565081934.db2.gz VBGLXWNRGSNQOF-OCCSQVGLSA-N 1 1 383.901 3.283 20 5 GGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000183617761 565082429 /nfs/dbraw/zinc/08/24/29/565082429.db2.gz VBGLXWNRGSNQOF-JSGCOSHPSA-N 1 1 383.901 3.283 20 5 GGBDMO COc1ccc(Br)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369555514 565099186 /nfs/dbraw/zinc/09/91/86/565099186.db2.gz DHKZZCCNHDLSSK-UHFFFAOYSA-N 1 1 395.257 3.400 20 5 GGBDMO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000292688028 565129480 /nfs/dbraw/zinc/12/94/80/565129480.db2.gz BDLVOIGMEOZRLK-ZDUSSCGKSA-N 1 1 380.491 3.190 20 5 GGBDMO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000292688028 565129487 /nfs/dbraw/zinc/12/94/87/565129487.db2.gz BDLVOIGMEOZRLK-ZDUSSCGKSA-N 1 1 380.491 3.190 20 5 GGBDMO C[N@@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CCCC1 ZINC000267905574 565133754 /nfs/dbraw/zinc/13/37/54/565133754.db2.gz APVMIWKCUCVTFN-UHFFFAOYSA-N 1 1 388.237 3.101 20 5 GGBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000293024583 565146529 /nfs/dbraw/zinc/14/65/29/565146529.db2.gz UZTPVLWQQINVFZ-LLVKDONJSA-N 1 1 390.267 3.132 20 5 GGBDMO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000372210427 565227014 /nfs/dbraw/zinc/22/70/14/565227014.db2.gz GSNLUSMVIHWRRE-GFCCVEGCSA-N 1 1 383.246 3.059 20 5 GGBDMO CC(C)(C[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)C(N)=O ZINC000294837527 565230632 /nfs/dbraw/zinc/23/06/32/565230632.db2.gz QTIZNMJGRGIGTE-CYBMUJFWSA-N 1 1 398.301 3.471 20 5 GGBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)C(N)=O ZINC000294837527 565230635 /nfs/dbraw/zinc/23/06/35/565230635.db2.gz QTIZNMJGRGIGTE-CYBMUJFWSA-N 1 1 398.301 3.471 20 5 GGBDMO C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272792391 565297796 /nfs/dbraw/zinc/29/77/96/565297796.db2.gz CLBQTURPBBRUMW-NWDGAFQWSA-N 1 1 387.527 3.125 20 5 GGBDMO C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272792391 565297802 /nfs/dbraw/zinc/29/78/02/565297802.db2.gz CLBQTURPBBRUMW-NWDGAFQWSA-N 1 1 387.527 3.125 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000375042801 565365450 /nfs/dbraw/zinc/36/54/50/565365450.db2.gz NBPOOJCTDOFKCY-NEPJUHHUSA-N 1 1 382.258 3.022 20 5 GGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000297684760 565382020 /nfs/dbraw/zinc/38/20/20/565382020.db2.gz HBANMBSIHRHAQX-INIZCTEOSA-N 1 1 397.273 3.307 20 5 GGBDMO CC(C)[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000301072459 565462588 /nfs/dbraw/zinc/46/25/88/565462588.db2.gz HAOPVTZQIBHFSC-INIZCTEOSA-N 1 1 385.306 3.041 20 5 GGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301158137 565468060 /nfs/dbraw/zinc/46/80/60/565468060.db2.gz OEYVWQJYHLGLJS-ZDUSSCGKSA-N 1 1 385.306 3.043 20 5 GGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1Br ZINC000277381148 565493363 /nfs/dbraw/zinc/49/33/63/565493363.db2.gz BEAMEFBJFVCEPB-LBPRGKRZSA-N 1 1 382.258 3.104 20 5 GGBDMO O=[N+]([O-])c1cc(Br)cnc1NCC[N@H+]1CCc2ccccc2C1 ZINC000301674288 565503532 /nfs/dbraw/zinc/50/35/32/565503532.db2.gz GRQZHWXHUQXIFQ-UHFFFAOYSA-N 1 1 377.242 3.223 20 5 GGBDMO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378286177 565520274 /nfs/dbraw/zinc/52/02/74/565520274.db2.gz RXLUNHJMNUDVHV-VXGBXAGGSA-N 1 1 383.246 3.106 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000277884309 565527434 /nfs/dbraw/zinc/52/74/34/565527434.db2.gz CWUBLCPAIBZLKL-ZJUUUORDSA-N 1 1 388.287 3.118 20 5 GGBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302652986 565548758 /nfs/dbraw/zinc/54/87/58/565548758.db2.gz GZJJUSMKSKGUGK-CYBMUJFWSA-N 1 1 399.333 3.351 20 5 GGBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000302709978 565550903 /nfs/dbraw/zinc/55/09/03/565550903.db2.gz ZDVWMUMJCFYEGZ-CYBMUJFWSA-N 1 1 385.306 3.043 20 5 GGBDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(Br)o2)c([N+](=O)[O-])c1 ZINC000173475935 565559806 /nfs/dbraw/zinc/55/98/06/565559806.db2.gz YDYHJNZXKOGKQL-UHFFFAOYSA-N 1 1 385.214 3.470 20 5 GGBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309829613 565578573 /nfs/dbraw/zinc/57/85/73/565578573.db2.gz RQLHRLWVEDFPQN-AWEZNQCLSA-N 1 1 377.242 3.439 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000408005669 565590468 /nfs/dbraw/zinc/59/04/68/565590468.db2.gz RVCMRUMVTKLNOA-BLLLJJGKSA-N 1 1 396.285 3.222 20 5 GGBDMO Cc1cc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000174608819 565646662 /nfs/dbraw/zinc/64/66/62/565646662.db2.gz RRRVNEJTCQLWHS-UHFFFAOYSA-N 1 1 386.227 3.170 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000174740633 565654957 /nfs/dbraw/zinc/65/49/57/565654957.db2.gz RDKUSOFAFKETOY-AWEZNQCLSA-N 1 1 385.251 3.124 20 5 GGBDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000280288146 565664098 /nfs/dbraw/zinc/66/40/98/565664098.db2.gz DZLMDWVAMMUHLR-GHMZBOCLSA-N 1 1 393.241 3.430 20 5 GGBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[N@H+](C2CCCC2)CC1 ZINC000192354764 565682363 /nfs/dbraw/zinc/68/23/63/565682363.db2.gz KYQARBAFJMJHEK-UHFFFAOYSA-N 1 1 396.285 3.448 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192371751 565683084 /nfs/dbraw/zinc/68/30/84/565683084.db2.gz ZOUUPNVHQJKIRV-ZDUSSCGKSA-N 1 1 398.301 3.455 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192371746 565683217 /nfs/dbraw/zinc/68/32/17/565683217.db2.gz ZOUUPNVHQJKIRV-CYBMUJFWSA-N 1 1 398.301 3.455 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000330463189 565707772 /nfs/dbraw/zinc/70/77/72/565707772.db2.gz CEUOZPRSVLANDO-LBPRGKRZSA-N 1 1 384.274 3.222 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000330476108 565708738 /nfs/dbraw/zinc/70/87/38/565708738.db2.gz GZBLHSLANHKWTM-GFCCVEGCSA-N 1 1 384.274 3.080 20 5 GGBDMO CSc1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000193693351 565770861 /nfs/dbraw/zinc/77/08/61/565770861.db2.gz XSZBLCIZHRCPIF-UHFFFAOYSA-N 1 1 377.491 3.166 20 5 GGBDMO CSc1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000193693351 565770867 /nfs/dbraw/zinc/77/08/67/565770867.db2.gz XSZBLCIZHRCPIF-UHFFFAOYSA-N 1 1 377.491 3.166 20 5 GGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000331827308 565786256 /nfs/dbraw/zinc/78/62/56/565786256.db2.gz JCLPJKQNLMPBCK-NXEZZACHSA-N 1 1 388.287 3.118 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176927065 565814926 /nfs/dbraw/zinc/81/49/26/565814926.db2.gz AEGJJUBZECTJAL-GFCCVEGCSA-N 1 1 384.274 3.352 20 5 GGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177056969 565825464 /nfs/dbraw/zinc/82/54/64/565825464.db2.gz OSTHSYJYAZXVIF-LBPRGKRZSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000332496230 565840662 /nfs/dbraw/zinc/84/06/62/565840662.db2.gz BVULCPCLHYJHGU-YPMHNXCESA-N 1 1 382.258 3.056 20 5 GGBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332509492 565841486 /nfs/dbraw/zinc/84/14/86/565841486.db2.gz HJBWBXKZZMAYRG-SMDDNHRTSA-N 1 1 382.258 3.056 20 5 GGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177286800 565841601 /nfs/dbraw/zinc/84/16/01/565841601.db2.gz VZXJCRHACMYZBO-ZDUSSCGKSA-N 1 1 384.274 3.352 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332524966 565842774 /nfs/dbraw/zinc/84/27/74/565842774.db2.gz BQGSTNWGXVFFHL-DGCLKSJQSA-N 1 1 396.285 3.365 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000284541399 565857539 /nfs/dbraw/zinc/85/75/39/565857539.db2.gz DARWTCMRGKGOOW-LLVKDONJSA-N 1 1 382.258 3.046 20 5 GGBDMO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413619821 565862541 /nfs/dbraw/zinc/86/25/41/565862541.db2.gz OJFBHBCIOGDOJD-UHFFFAOYSA-N 1 1 394.273 3.167 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000285457570 565909325 /nfs/dbraw/zinc/90/93/25/565909325.db2.gz ZTONCQHGZDYQKN-UHFFFAOYSA-N 1 1 395.257 3.333 20 5 GGBDMO CC(C)NC(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236643542 565940987 /nfs/dbraw/zinc/94/09/87/565940987.db2.gz KTZJTUSWFIBDJK-UHFFFAOYSA-N 1 1 396.241 3.232 20 5 GGBDMO C[N@H+]1CCCC12CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000363762590 566019240 /nfs/dbraw/zinc/01/92/40/566019240.db2.gz IFKYAAYMLICECM-UHFFFAOYSA-N 1 1 383.901 3.427 20 5 GGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246840884 566042610 /nfs/dbraw/zinc/04/26/10/566042610.db2.gz QKSCIRXZDDXEIT-BXUZGUMPSA-N 1 1 397.273 3.305 20 5 GGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000246840899 566042898 /nfs/dbraw/zinc/04/28/98/566042898.db2.gz QKSCIRXZDDXEIT-SMDDNHRTSA-N 1 1 397.273 3.305 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000180425365 566061853 /nfs/dbraw/zinc/06/18/53/566061853.db2.gz UIDQTAWDEVWMJE-UHFFFAOYSA-N 1 1 383.495 3.124 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)cs2)c1 ZINC000180452395 566064214 /nfs/dbraw/zinc/06/42/14/566064214.db2.gz HLSUBQDAEMKWJT-HOTGVXAUSA-N 1 1 377.491 3.425 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)cs2)c1 ZINC000180452395 566064218 /nfs/dbraw/zinc/06/42/18/566064218.db2.gz HLSUBQDAEMKWJT-HOTGVXAUSA-N 1 1 377.491 3.425 20 5 GGBDMO CC[C@H](CSC)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000180686110 566081344 /nfs/dbraw/zinc/08/13/44/566081344.db2.gz ZNYQLOFTDXDMDE-SNVBAGLBSA-N 1 1 390.303 3.369 20 5 GGBDMO COc1ccc(Br)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365518898 566106009 /nfs/dbraw/zinc/10/60/09/566106009.db2.gz UUCZYNRLYNGVDF-UHFFFAOYSA-N 1 1 395.257 3.400 20 5 GGBDMO O=[N+]([O-])c1cc(I)ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674213 566115916 /nfs/dbraw/zinc/11/59/16/566115916.db2.gz PRJNMKOQANOXOC-NEPJUHHUSA-N 1 1 387.221 3.238 20 5 GGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](CCOc3ccccc3Br)CC2)n1 ZINC000365838742 566122526 /nfs/dbraw/zinc/12/25/26/566122526.db2.gz OYIXYXNIFBMJHZ-UHFFFAOYSA-N 1 1 395.257 3.270 20 5 GGBDMO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Br ZINC000181512833 566147260 /nfs/dbraw/zinc/14/72/60/566147260.db2.gz ONZRBKUUBUTXKK-UHFFFAOYSA-N 1 1 392.253 3.481 20 5 GGBDMO C[N@@H+](CCCO)C1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290085898 566156114 /nfs/dbraw/zinc/15/61/14/566156114.db2.gz VLYDCPMTXSVOTA-UHFFFAOYSA-N 1 1 376.284 3.180 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366603401 566161136 /nfs/dbraw/zinc/16/11/36/566161136.db2.gz MTRXJOCEQZACFL-QWHCGFSZSA-N 1 1 382.258 3.022 20 5 GGBDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000181749629 566163638 /nfs/dbraw/zinc/16/36/38/566163638.db2.gz SMZLBIYOSGTJAQ-INIZCTEOSA-N 1 1 383.857 3.137 20 5 GGBDMO C[NH+](C)C1CCN(CCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290976252 566199370 /nfs/dbraw/zinc/19/93/70/566199370.db2.gz YCBDWVNNKVEGJW-UHFFFAOYSA-N 1 1 375.300 3.017 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000183528994 566248466 /nfs/dbraw/zinc/24/84/66/566248466.db2.gz ONJHAWZLBBKTMA-ZDUSSCGKSA-N 1 1 385.917 3.434 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599607367 566280168 /nfs/dbraw/zinc/28/01/68/566280168.db2.gz NYONIAPPQXUYED-LBPRGKRZSA-N 1 1 384.274 3.161 20 5 GGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000535277076 566293011 /nfs/dbraw/zinc/29/30/11/566293011.db2.gz NKIOYSVZSVOMTL-HNNXBMFYSA-N 1 1 390.237 3.274 20 5 GGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000535277076 566293019 /nfs/dbraw/zinc/29/30/19/566293019.db2.gz NKIOYSVZSVOMTL-HNNXBMFYSA-N 1 1 390.237 3.274 20 5 GGBDMO CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000599935352 566304507 /nfs/dbraw/zinc/30/45/07/566304507.db2.gz PFRTYTQVJUNYBX-FOSCPWQOSA-N 1 1 382.258 3.055 20 5 GGBDMO CCC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462461289 566306369 /nfs/dbraw/zinc/30/63/69/566306369.db2.gz BVUAAWSDMGVCRZ-UHFFFAOYSA-N 1 1 396.296 3.054 20 5 GGBDMO Cc1[nH+]ccn1CCCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000509485641 566310982 /nfs/dbraw/zinc/31/09/82/566310982.db2.gz JHISVPFJYZWFKM-UHFFFAOYSA-N 1 1 390.241 3.335 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000462482317 566311268 /nfs/dbraw/zinc/31/12/68/566311268.db2.gz FVUKILZGGXYKEU-UHFFFAOYSA-N 1 1 396.296 3.056 20 5 GGBDMO C[NH+](C)C1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420745351 566313635 /nfs/dbraw/zinc/31/36/35/566313635.db2.gz MFHZFNWHMNIQLM-UHFFFAOYSA-N 1 1 396.296 3.053 20 5 GGBDMO Cc1c(Br)cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000509635519 566322598 /nfs/dbraw/zinc/32/25/98/566322598.db2.gz AXEMKELNRMEYIX-NSHDSACASA-N 1 1 384.274 3.127 20 5 GGBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000509691802 566329602 /nfs/dbraw/zinc/32/96/02/566329602.db2.gz FAGWJBZOAHXMAT-GFCCVEGCSA-N 1 1 384.274 3.127 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000482976651 566347594 /nfs/dbraw/zinc/34/75/94/566347594.db2.gz XLFIKVCSEJCJKC-LLVKDONJSA-N 1 1 393.241 3.350 20 5 GGBDMO C[C@H]1C[C@@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[N@H+]1C ZINC000462875452 566362957 /nfs/dbraw/zinc/36/29/57/566362957.db2.gz MFUMJLXTTWRLLY-JQWIXIFHSA-N 1 1 379.258 3.222 20 5 GGBDMO C[C@@H]1C[C@@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[N@H+]1C ZINC000462875453 566363074 /nfs/dbraw/zinc/36/30/74/566363074.db2.gz MFUMJLXTTWRLLY-PWSUYJOCSA-N 1 1 379.258 3.222 20 5 GGBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(Br)c1 ZINC000536381139 566370010 /nfs/dbraw/zinc/37/00/10/566370010.db2.gz DKOVPZADIQNELH-UHFFFAOYSA-N 1 1 380.242 3.041 20 5 GGBDMO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1cccc(Br)c1 ZINC000447090560 566385747 /nfs/dbraw/zinc/38/57/47/566385747.db2.gz YQKRMEKPOPJHRP-CYBMUJFWSA-N 1 1 396.266 3.314 20 5 GGBDMO C[N@@H+](Cc1ccccc1)C1CN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000557735641 566412202 /nfs/dbraw/zinc/41/22/02/566412202.db2.gz PFFJGYHQCBPZPL-UHFFFAOYSA-N 1 1 377.242 3.073 20 5 GGBDMO C[N@H+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000557741318 566414418 /nfs/dbraw/zinc/41/44/18/566414418.db2.gz KMVQZBBANVUPMY-HNNXBMFYSA-N 1 1 391.269 3.115 20 5 GGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000511120092 566438574 /nfs/dbraw/zinc/43/85/74/566438574.db2.gz HEZKADLAECJKLG-INIZCTEOSA-N 1 1 392.253 3.058 20 5 GGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000511120092 566438580 /nfs/dbraw/zinc/43/85/80/566438580.db2.gz HEZKADLAECJKLG-INIZCTEOSA-N 1 1 392.253 3.058 20 5 GGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000558028022 566442834 /nfs/dbraw/zinc/44/28/34/566442834.db2.gz ZQRQVKRHHWVODI-MQIPJXDCSA-N 1 1 396.285 3.160 20 5 GGBDMO CCNC(=O)c1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cc1 ZINC000602515174 566476365 /nfs/dbraw/zinc/47/63/65/566476365.db2.gz NQTSJHFDKYGTRX-UHFFFAOYSA-N 1 1 398.282 3.458 20 5 GGBDMO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)N1CCCC[C@H]1C ZINC000602525439 566476564 /nfs/dbraw/zinc/47/65/64/566476564.db2.gz AXAVLZOGVAQOKE-NXEZZACHSA-N 1 1 390.303 3.298 20 5 GGBDMO CC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H](O)C(F)(F)F ZINC000602582835 566479540 /nfs/dbraw/zinc/47/95/40/566479540.db2.gz XXSWYDAQBMHWIX-YUMQZZPRSA-N 1 1 377.182 3.210 20 5 GGBDMO CC(C)([NH2+]Cc1cnn2cc(Br)cnc12)c1ccccc1[N+](=O)[O-] ZINC000602675216 566486758 /nfs/dbraw/zinc/48/67/58/566486758.db2.gz ZIXAWBZJSVAAHK-UHFFFAOYSA-N 1 1 390.241 3.425 20 5 GGBDMO C[N@H+]1CCC[C@@H](CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000538088615 566492103 /nfs/dbraw/zinc/49/21/03/566492103.db2.gz IBJMEYKZGZDCIL-NSHDSACASA-N 1 1 379.258 3.081 20 5 GGBDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000538098822 566492542 /nfs/dbraw/zinc/49/25/42/566492542.db2.gz LGJDCZVRRKUWFF-JSGCOSHPSA-N 1 1 391.269 3.422 20 5 GGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000538098822 566492548 /nfs/dbraw/zinc/49/25/48/566492548.db2.gz LGJDCZVRRKUWFF-JSGCOSHPSA-N 1 1 391.269 3.422 20 5 GGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000558732457 566501841 /nfs/dbraw/zinc/50/18/41/566501841.db2.gz MMAGWXQDYXGXFI-MRXNPFEDSA-N 1 1 392.253 3.058 20 5 GGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000558732457 566501849 /nfs/dbraw/zinc/50/18/49/566501849.db2.gz MMAGWXQDYXGXFI-MRXNPFEDSA-N 1 1 392.253 3.058 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000578227932 566503651 /nfs/dbraw/zinc/50/36/51/566503651.db2.gz VHPXVVVSJHGTDT-ZDUSSCGKSA-N 1 1 396.285 3.412 20 5 GGBDMO C[N@@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000603973415 566548304 /nfs/dbraw/zinc/54/83/04/566548304.db2.gz ILCHGKBDZKZOCM-UHFFFAOYSA-N 1 1 389.905 3.181 20 5 GGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000559491148 566552167 /nfs/dbraw/zinc/55/21/67/566552167.db2.gz GHOYSULVSFSSOO-SNVBAGLBSA-N 1 1 395.257 3.237 20 5 GGBDMO C[N@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541280780 566710658 /nfs/dbraw/zinc/71/06/58/566710658.db2.gz KBXFPGWICCTEDI-OAHLLOKOSA-N 1 1 395.253 3.229 20 5 GGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488181156 566712137 /nfs/dbraw/zinc/71/21/37/566712137.db2.gz JDFRZVXJAJRZLS-UHFFFAOYSA-N 1 1 395.253 3.231 20 5 GGBDMO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000561527808 566715630 /nfs/dbraw/zinc/71/56/30/566715630.db2.gz SNRKTRDPNYYMHY-LBPRGKRZSA-N 1 1 396.285 3.304 20 5 GGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1[N+](=O)[O-] ZINC000468862431 566738595 /nfs/dbraw/zinc/73/85/95/566738595.db2.gz DRZFTGSPJUQDEN-LLVKDONJSA-N 1 1 384.479 3.309 20 5 GGBDMO CC[N@@H+](CCNC(=O)c1cccc(SC)c1[N+](=O)[O-])CCC(F)(F)F ZINC000427243936 566759947 /nfs/dbraw/zinc/75/99/47/566759947.db2.gz AZAJHLLXVDFTJS-UHFFFAOYSA-N 1 1 379.404 3.321 20 5 GGBDMO CCN(CC)C[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000516516021 566766444 /nfs/dbraw/zinc/76/64/44/566766444.db2.gz DLBWNYINBCPUMT-NSHDSACASA-N 1 1 391.253 3.019 20 5 GGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCCC[C@@H]1C ZINC000610040521 566800101 /nfs/dbraw/zinc/80/01/01/566800101.db2.gz ZAEVKFOTNGTSGQ-NWDGAFQWSA-N 1 1 384.274 3.350 20 5 GGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCCC[C@H]1C ZINC000610040523 566800360 /nfs/dbraw/zinc/80/03/60/566800360.db2.gz ZAEVKFOTNGTSGQ-VXGBXAGGSA-N 1 1 384.274 3.350 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451569105 566840960 /nfs/dbraw/zinc/84/09/60/566840960.db2.gz NQNCNJZFGMVFPD-AWEZNQCLSA-N 1 1 392.253 3.009 20 5 GGBDMO Cc1c(Br)cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000470170414 566853028 /nfs/dbraw/zinc/85/30/28/566853028.db2.gz UNFOZLSPXHKDDU-CQSZACIVSA-N 1 1 396.285 3.412 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000470163598 566853329 /nfs/dbraw/zinc/85/33/29/566853329.db2.gz RZHJVNSVPKVNOX-OAHLLOKOSA-N 1 1 396.285 3.033 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000470163597 566853404 /nfs/dbraw/zinc/85/34/04/566853404.db2.gz RZHJVNSVPKVNOX-HNNXBMFYSA-N 1 1 396.285 3.033 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000428785934 566878146 /nfs/dbraw/zinc/87/81/46/566878146.db2.gz MPGOHIDXNZPQMM-OAHLLOKOSA-N 1 1 381.226 3.189 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(Cl)ccc2Cl)cc1 ZINC000543621179 566895454 /nfs/dbraw/zinc/89/54/54/566895454.db2.gz HMGMGTUXRQPCLX-UHFFFAOYSA-N 1 1 389.260 3.465 20 5 GGBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])cc1Br)CCC(F)(F)F ZINC000491590082 566910550 /nfs/dbraw/zinc/91/05/50/566910550.db2.gz XEUOTCMNYKNIHA-UHFFFAOYSA-N 1 1 385.184 3.439 20 5 GGBDMO COc1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000492101642 566923034 /nfs/dbraw/zinc/92/30/34/566923034.db2.gz CDAJZHFNIQHESO-CQSZACIVSA-N 1 1 399.216 3.328 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452175156 566948453 /nfs/dbraw/zinc/94/84/53/566948453.db2.gz SBHDAVPJYZRXRD-LLVKDONJSA-N 1 1 396.285 3.222 20 5 GGBDMO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000429954387 566969063 /nfs/dbraw/zinc/96/90/63/566969063.db2.gz VJPQURYZHWQXDP-NWDGAFQWSA-N 1 1 384.274 3.350 20 5 GGBDMO CCC[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000430137925 566989340 /nfs/dbraw/zinc/98/93/40/566989340.db2.gz XCHNRHRYPWVLHK-UHFFFAOYSA-N 1 1 396.241 3.315 20 5 GGBDMO CCC[N@@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000430137925 566989346 /nfs/dbraw/zinc/98/93/46/566989346.db2.gz XCHNRHRYPWVLHK-UHFFFAOYSA-N 1 1 396.241 3.315 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@H+](Cc2cc(Br)ccc2F)C2CC2)c1 ZINC000472436726 567026315 /nfs/dbraw/zinc/02/63/15/567026315.db2.gz WEONKGGFTHQWDE-UHFFFAOYSA-N 1 1 383.221 3.358 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2cc(Br)ccc2F)C2CC2)c1 ZINC000472436726 567026322 /nfs/dbraw/zinc/02/63/22/567026322.db2.gz WEONKGGFTHQWDE-UHFFFAOYSA-N 1 1 383.221 3.358 20 5 GGBDMO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000431768420 567107033 /nfs/dbraw/zinc/10/70/33/567107033.db2.gz KNCCJHPTEANMRV-NWDGAFQWSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000590193337 567213291 /nfs/dbraw/zinc/21/32/91/567213291.db2.gz MYGUHJPDWYVBAX-SECBINFHSA-N 1 1 396.216 3.446 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)c1 ZINC000433285538 567238925 /nfs/dbraw/zinc/23/89/25/567238925.db2.gz IEVUHOXFSANSCU-AWEZNQCLSA-N 1 1 379.258 3.118 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)c1 ZINC000433285541 567238953 /nfs/dbraw/zinc/23/89/53/567238953.db2.gz IEVUHOXFSANSCU-CQSZACIVSA-N 1 1 379.258 3.118 20 5 GGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000525396700 567246384 /nfs/dbraw/zinc/24/63/84/567246384.db2.gz XHYPZTBAACORCF-NEPJUHHUSA-N 1 1 384.274 3.302 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+](CCO)[C@H]3CCCSC3)cs2)c1 ZINC000475514535 567254583 /nfs/dbraw/zinc/25/45/83/567254583.db2.gz QIQJCLNOKPRPEB-INIZCTEOSA-N 1 1 379.507 3.408 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+](CCO)[C@H]3CCCSC3)cs2)c1 ZINC000475514535 567254586 /nfs/dbraw/zinc/25/45/86/567254586.db2.gz QIQJCLNOKPRPEB-INIZCTEOSA-N 1 1 379.507 3.408 20 5 GGBDMO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)cn1 ZINC000591845192 567301803 /nfs/dbraw/zinc/30/18/03/567301803.db2.gz KQINAPYVJMGSLC-GFCCVEGCSA-N 1 1 379.258 3.155 20 5 GGBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)cn1 ZINC000591845192 567301808 /nfs/dbraw/zinc/30/18/08/567301808.db2.gz KQINAPYVJMGSLC-GFCCVEGCSA-N 1 1 379.258 3.155 20 5 GGBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000591845282 567302489 /nfs/dbraw/zinc/30/24/89/567302489.db2.gz DPSNDJWFBCMPPR-QGZVFWFLSA-N 1 1 377.238 3.281 20 5 GGBDMO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000568330465 567319701 /nfs/dbraw/zinc/31/97/01/567319701.db2.gz LCJFCUXHGOHUEM-CQSZACIVSA-N 1 1 390.221 3.200 20 5 GGBDMO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435379670 567357345 /nfs/dbraw/zinc/35/73/45/567357345.db2.gz JWTWGFARJIQVIT-LLVKDONJSA-N 1 1 380.242 3.398 20 5 GGBDMO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549167843 567377399 /nfs/dbraw/zinc/37/73/99/567377399.db2.gz HUBGKVKQJFROBI-UHFFFAOYSA-N 1 1 381.885 3.443 20 5 GGBDMO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549167843 567377402 /nfs/dbraw/zinc/37/74/02/567377402.db2.gz HUBGKVKQJFROBI-UHFFFAOYSA-N 1 1 381.885 3.443 20 5 GGBDMO CC(C)OCCC[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569292453 567393476 /nfs/dbraw/zinc/39/34/76/567393476.db2.gz OSQLJJLSMRCWLO-UHFFFAOYSA-N 1 1 392.237 3.446 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000550220224 567435910 /nfs/dbraw/zinc/43/59/10/567435910.db2.gz FIHFLIJRLAWDGS-LLVKDONJSA-N 1 1 384.274 3.127 20 5 GGBDMO CC[N@@H+](CCNCc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000569891242 567441932 /nfs/dbraw/zinc/44/19/32/567441932.db2.gz BXGCBZGHCBJZLZ-UHFFFAOYSA-N 1 1 391.253 3.019 20 5 GGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1sc(Br)cc1[N+](=O)[O-] ZINC000594195940 567464260 /nfs/dbraw/zinc/46/42/60/567464260.db2.gz JEHQNAHIHQTDME-ZJUUUORDSA-N 1 1 388.287 3.166 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594199439 567465098 /nfs/dbraw/zinc/46/50/98/567465098.db2.gz ZKSKLDRTZMLXRT-HZPDHXFCSA-N 1 1 396.285 3.033 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458220252 567533777 /nfs/dbraw/zinc/53/37/77/567533777.db2.gz OWEQIJFGCLZAJP-LBPRGKRZSA-N 1 1 384.274 3.127 20 5 GGBDMO C[N@@H+](CCOCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000504569464 567540535 /nfs/dbraw/zinc/54/05/35/567540535.db2.gz ZTBGKUCEYUOFAT-UHFFFAOYSA-N 1 1 399.241 3.058 20 5 GGBDMO CCOCC[N@@H+](CC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571689517 567582622 /nfs/dbraw/zinc/58/26/22/567582622.db2.gz OROKFAVRQXWECM-UHFFFAOYSA-N 1 1 378.210 3.058 20 5 GGBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](CO)C(C)(C)C ZINC000571366137 567555969 /nfs/dbraw/zinc/55/59/69/567555969.db2.gz YQVBNXXWHSSJPG-CYBMUJFWSA-N 1 1 392.237 3.038 20 5 GGBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C2(CCCCC2)C1 ZINC000480039166 567577323 /nfs/dbraw/zinc/57/73/23/567577323.db2.gz GEKGCGNZJDISGQ-UHFFFAOYSA-N 1 1 396.285 3.448 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000505606610 567586789 /nfs/dbraw/zinc/58/67/89/567586789.db2.gz KMNOVZCYSHENBL-KRWDZBQOSA-N 1 1 396.285 3.224 20 5 GGBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000597605006 567707396 /nfs/dbraw/zinc/70/73/96/567707396.db2.gz MJAOWMJDGQGNQC-ZDUSSCGKSA-N 1 1 384.274 3.222 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597922649 567724203 /nfs/dbraw/zinc/72/42/03/567724203.db2.gz JYRRLMBFGOJQHT-GFCCVEGCSA-N 1 1 384.274 3.268 20 5 GGBDMO CC[C@H](C)[N@@H+](C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000554969471 567760122 /nfs/dbraw/zinc/76/01/22/567760122.db2.gz MLHUBZUYIHXBHC-NSHDSACASA-N 1 1 391.253 3.019 20 5 GGBDMO CC[C@H](C)N(C)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554969471 567760125 /nfs/dbraw/zinc/76/01/25/567760125.db2.gz MLHUBZUYIHXBHC-NSHDSACASA-N 1 1 391.253 3.019 20 5 GGBDMO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000533576530 567776341 /nfs/dbraw/zinc/77/63/41/567776341.db2.gz GAVPVAVACPBHOC-LBPRGKRZSA-N 1 1 384.274 3.126 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598561336 567776631 /nfs/dbraw/zinc/77/66/31/567776631.db2.gz PUWAIYBCPDQGAB-CYBMUJFWSA-N 1 1 396.285 3.209 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598976534 567801743 /nfs/dbraw/zinc/80/17/43/567801743.db2.gz XDKSZUPSRPVUMA-GFCCVEGCSA-N 1 1 384.274 3.352 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccsc2C(F)(F)F)cc1 ZINC000598972391 567802005 /nfs/dbraw/zinc/80/20/05/567802005.db2.gz QPXHMVLIYLPYRH-UHFFFAOYSA-N 1 1 394.396 3.239 20 5 GGBDMO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000599065296 567804553 /nfs/dbraw/zinc/80/45/53/567804553.db2.gz KBOZWYYJJVVFOZ-NEPJUHHUSA-N 1 1 384.274 3.350 20 5 GGBDMO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000599071143 567805204 /nfs/dbraw/zinc/80/52/04/567805204.db2.gz QYAPQMYXVLQYDJ-RYUDHWBXSA-N 1 1 384.274 3.208 20 5 GGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599218787 567810255 /nfs/dbraw/zinc/81/02/55/567810255.db2.gz CBKPUGMUEBQMKO-UHFFFAOYSA-N 1 1 384.274 3.304 20 5 GGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599220936 567811276 /nfs/dbraw/zinc/81/12/76/567811276.db2.gz VCXXWKHXXXLYNF-GFCCVEGCSA-N 1 1 384.274 3.208 20 5 GGBDMO O=C(Cc1c[nH]c2ccccc12)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000048366897 570246303 /nfs/dbraw/zinc/24/63/03/570246303.db2.gz FKGUJLCTPYZOEP-UHFFFAOYSA-N 1 1 392.459 3.006 20 5 GGBDMO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000083925340 570980457 /nfs/dbraw/zinc/98/04/57/570980457.db2.gz KHTFDCCPRRWJCB-UHFFFAOYSA-N 1 1 390.411 3.361 20 5 GGBDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000083925340 570980459 /nfs/dbraw/zinc/98/04/59/570980459.db2.gz KHTFDCCPRRWJCB-UHFFFAOYSA-N 1 1 390.411 3.361 20 5 GGBDMO C[N@H+]1CCC[C@@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000821623495 599582237 /nfs/dbraw/zinc/58/22/37/599582237.db2.gz MBRYVEQOBQKTGK-GUYCJALGSA-N 1 1 399.480 3.331 20 5 GGBDMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000826182220 607519718 /nfs/dbraw/zinc/51/97/18/607519718.db2.gz DPUSRIIRFHDHNK-UHFFFAOYSA-N 1 1 382.424 3.194 20 5 GGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000820668579 606199218 /nfs/dbraw/zinc/19/92/18/606199218.db2.gz VANMCHRRSUWSHZ-ZBFHGGJFSA-N 1 1 393.451 3.240 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820761584 606470546 /nfs/dbraw/zinc/47/05/46/606470546.db2.gz XZMWROBTNWSFRN-YOEHRIQHSA-N 1 1 393.451 3.097 20 5 GGBDMO C[N@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000826029945 608018772 /nfs/dbraw/zinc/01/87/72/608018772.db2.gz YJPZYXMDCZDQIZ-RDJZCZTQSA-N 1 1 399.842 3.286 20 5 GGBDMO CC[N@@H+](CCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1)CC1CC1 ZINC000825419155 608197579 /nfs/dbraw/zinc/19/75/79/608197579.db2.gz IZZAAONQBRBKLY-UHFFFAOYSA-N 1 1 399.499 3.113 20 5 GGBDMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824624669 608467185 /nfs/dbraw/zinc/46/71/85/608467185.db2.gz BEPPKHSMRPNJAI-GFCCVEGCSA-N 1 1 391.391 3.281 20 5 GGBDMO Cc1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000826287918 608602995 /nfs/dbraw/zinc/60/29/95/608602995.db2.gz JGDXKPUKDTWFHF-UHFFFAOYSA-N 1 1 394.435 3.127 20 5 GGBDMO Cc1ccc(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826287889 608857527 /nfs/dbraw/zinc/85/75/27/608857527.db2.gz IGYFSLYRJWJWFP-UHFFFAOYSA-N 1 1 376.420 3.373 20 5 GGBDMO C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824647621 609432203 /nfs/dbraw/zinc/43/22/03/609432203.db2.gz ABAYVNWYDDPFBQ-PBHICJAKSA-N 1 1 393.451 3.097 20 5 GGBDMO Cc1ccc(OC2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1C ZINC000053016288 1406259419 /nfs/dbraw/zinc/25/94/19/1406259419.db2.gz INOZPQQLSKCXAB-UHFFFAOYSA-N 1 1 383.448 3.354 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000053369764 1406380286 /nfs/dbraw/zinc/38/02/86/1406380286.db2.gz NZYGAKKDGZDRFY-MRXNPFEDSA-N 1 1 385.468 3.165 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000053417530 1406389311 /nfs/dbraw/zinc/38/93/11/1406389311.db2.gz VGKVPFIEDJDNIB-CALCHBBNSA-N 1 1 399.495 3.268 20 5 GGBDMO Cc1ccc(OCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000053572064 1406446763 /nfs/dbraw/zinc/44/67/63/1406446763.db2.gz IQDIDGWKRUMHBP-UHFFFAOYSA-N 1 1 397.475 3.325 20 5 GGBDMO O=C(NC1CC1)c1ccc(NCC[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000053580089 1406450938 /nfs/dbraw/zinc/45/09/38/1406450938.db2.gz PUXBKTJPVTVCBV-UHFFFAOYSA-N 1 1 386.477 3.019 20 5 GGBDMO O=C(NC1CC1)c1ccc(NCC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000053580089 1406450942 /nfs/dbraw/zinc/45/09/42/1406450942.db2.gz PUXBKTJPVTVCBV-UHFFFAOYSA-N 1 1 386.477 3.019 20 5 GGBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000053686657 1406479046 /nfs/dbraw/zinc/47/90/46/1406479046.db2.gz RVGPDODPAZUBFQ-DOTOQJQBSA-N 1 1 389.477 3.017 20 5 GGBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000053686657 1406479051 /nfs/dbraw/zinc/47/90/51/1406479051.db2.gz RVGPDODPAZUBFQ-DOTOQJQBSA-N 1 1 389.477 3.017 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCOc1ccccc1C ZINC000053720723 1406489970 /nfs/dbraw/zinc/48/99/70/1406489970.db2.gz VPJQNUOPKOXSTG-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCOc1ccccc1C ZINC000053720723 1406489985 /nfs/dbraw/zinc/48/99/85/1406489985.db2.gz VPJQNUOPKOXSTG-UHFFFAOYSA-N 1 1 387.436 3.251 20 5 GGBDMO C[N@H+](CCCOc1cccc(Cl)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053741817 1406498000 /nfs/dbraw/zinc/49/80/00/1406498000.db2.gz JGJDMAIHKRFDDN-UHFFFAOYSA-N 1 1 377.828 3.248 20 5 GGBDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053741817 1406498009 /nfs/dbraw/zinc/49/80/09/1406498009.db2.gz JGJDMAIHKRFDDN-UHFFFAOYSA-N 1 1 377.828 3.248 20 5 GGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053811676 1406520704 /nfs/dbraw/zinc/52/07/04/1406520704.db2.gz BVJKOYZCGXWVKD-INIZCTEOSA-N 1 1 399.495 3.237 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000054122155 1406623639 /nfs/dbraw/zinc/62/36/39/1406623639.db2.gz IITWSTOLQDAHEK-UHFFFAOYSA-N 1 1 387.411 3.091 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000054122155 1406623647 /nfs/dbraw/zinc/62/36/47/1406623647.db2.gz IITWSTOLQDAHEK-UHFFFAOYSA-N 1 1 387.411 3.091 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000054150057 1406632916 /nfs/dbraw/zinc/63/29/16/1406632916.db2.gz ZWCFRZRQMVPTIB-UHFFFAOYSA-N 1 1 375.375 3.221 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000054150057 1406632925 /nfs/dbraw/zinc/63/29/25/1406632925.db2.gz ZWCFRZRQMVPTIB-UHFFFAOYSA-N 1 1 375.375 3.221 20 5 GGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000054286408 1406680626 /nfs/dbraw/zinc/68/06/26/1406680626.db2.gz XXUMQKWNVUIASL-HNNXBMFYSA-N 1 1 385.468 3.021 20 5 GGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000054287236 1406681765 /nfs/dbraw/zinc/68/17/65/1406681765.db2.gz WUSZBKQSUGMIJT-HNNXBMFYSA-N 1 1 399.495 3.236 20 5 GGBDMO O=C(NC1CC1)c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000054369728 1406706787 /nfs/dbraw/zinc/70/67/87/1406706787.db2.gz UFEQIFJLDIVMJZ-UHFFFAOYSA-N 1 1 394.475 3.199 20 5 GGBDMO Cc1cc(N2CC[NH+](Cc3ccco3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389638 1406713612 /nfs/dbraw/zinc/71/36/12/1406713612.db2.gz HJOXTVCAHOJBRU-UHFFFAOYSA-N 1 1 379.420 3.275 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000054645584 1406795131 /nfs/dbraw/zinc/79/51/31/1406795131.db2.gz RARVSVGNCAYMHG-SFHVURJKSA-N 1 1 390.871 3.393 20 5 GGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000054646073 1406795340 /nfs/dbraw/zinc/79/53/40/1406795340.db2.gz VMCXEWZKOQOVNW-UHFFFAOYSA-N 1 1 382.464 3.055 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054727638 1406815265 /nfs/dbraw/zinc/81/52/65/1406815265.db2.gz IOTWPMMILAHMMN-IYBDPMFKSA-N 1 1 376.501 3.493 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000055152660 1406895095 /nfs/dbraw/zinc/89/50/95/1406895095.db2.gz VAJCBVGMALAFPW-RYUDHWBXSA-N 1 1 391.399 3.429 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000055152661 1406895200 /nfs/dbraw/zinc/89/52/00/1406895200.db2.gz VAJCBVGMALAFPW-NEPJUHHUSA-N 1 1 391.399 3.429 20 5 GGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055241425 1406909823 /nfs/dbraw/zinc/90/98/23/1406909823.db2.gz BPQONMBRQXALPF-UHFFFAOYSA-N 1 1 395.456 3.053 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c(F)c1 ZINC000055284556 1406920353 /nfs/dbraw/zinc/92/03/53/1406920353.db2.gz KBFKDPBHXMMSDC-UHFFFAOYSA-N 1 1 399.488 3.011 20 5 GGBDMO COc1ccc(C[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000007661880 1398724349 /nfs/dbraw/zinc/72/43/49/1398724349.db2.gz PGMJBGUPHGKROY-UHFFFAOYSA-N 1 1 385.420 3.215 20 5 GGBDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000007661880 1398724360 /nfs/dbraw/zinc/72/43/60/1398724360.db2.gz PGMJBGUPHGKROY-UHFFFAOYSA-N 1 1 385.420 3.215 20 5 GGBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(OC)c1 ZINC000008940450 1398849725 /nfs/dbraw/zinc/84/97/25/1398849725.db2.gz HWKSDGWCCLSNCM-KRWDZBQOSA-N 1 1 385.420 3.048 20 5 GGBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(OC)c1 ZINC000008940450 1398849729 /nfs/dbraw/zinc/84/97/29/1398849729.db2.gz HWKSDGWCCLSNCM-KRWDZBQOSA-N 1 1 385.420 3.048 20 5 GGBDMO COc1ccccc1[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[NH+](C)C ZINC000010136911 1398877314 /nfs/dbraw/zinc/87/73/14/1398877314.db2.gz WWAPUWURHHROSF-MRXNPFEDSA-N 1 1 389.477 3.358 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)[NH+](C)C ZINC000010136905 1398877363 /nfs/dbraw/zinc/87/73/63/1398877363.db2.gz WWAPUWURHHROSF-INIZCTEOSA-N 1 1 389.477 3.358 20 5 GGBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@@H]2c2ccccc2)C1=O ZINC000014307848 1399097595 /nfs/dbraw/zinc/09/75/95/1399097595.db2.gz XOCDLXAWUBDFNJ-NQIIRXRSSA-N 1 1 394.431 3.156 20 5 GGBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCC[C@@H]2c2ccccc2)C1=O ZINC000014307848 1399097601 /nfs/dbraw/zinc/09/76/01/1399097601.db2.gz XOCDLXAWUBDFNJ-NQIIRXRSSA-N 1 1 394.431 3.156 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000015101369 1399139335 /nfs/dbraw/zinc/13/93/35/1399139335.db2.gz ZIQODTSRPFNQFV-UHFFFAOYSA-N 1 1 391.399 3.082 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000015101369 1399139338 /nfs/dbraw/zinc/13/93/38/1399139338.db2.gz ZIQODTSRPFNQFV-UHFFFAOYSA-N 1 1 391.399 3.082 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCOc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000015100772 1399139342 /nfs/dbraw/zinc/13/93/42/1399139342.db2.gz QAEGHSINFISNIO-OAHLLOKOSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCOc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000015100772 1399139345 /nfs/dbraw/zinc/13/93/45/1399139345.db2.gz QAEGHSINFISNIO-OAHLLOKOSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCOc1cccc(C)c1 ZINC000015100876 1399139467 /nfs/dbraw/zinc/13/94/67/1399139467.db2.gz JWJLOPWBQMIGFM-OAHLLOKOSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCOc1cccc(C)c1 ZINC000015100876 1399139473 /nfs/dbraw/zinc/13/94/73/1399139473.db2.gz JWJLOPWBQMIGFM-OAHLLOKOSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000015099800 1399139532 /nfs/dbraw/zinc/13/95/32/1399139532.db2.gz MTHOEVCKMZYGSW-HNNXBMFYSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000015099800 1399139544 /nfs/dbraw/zinc/13/95/44/1399139544.db2.gz MTHOEVCKMZYGSW-HNNXBMFYSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(F)cc1 ZINC000015101748 1399139685 /nfs/dbraw/zinc/13/96/85/1399139685.db2.gz TUCLLOMVDRWISF-CYBMUJFWSA-N 1 1 391.399 3.080 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000015101748 1399139690 /nfs/dbraw/zinc/13/96/90/1399139690.db2.gz TUCLLOMVDRWISF-CYBMUJFWSA-N 1 1 391.399 3.080 20 5 GGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000015988746 1399202118 /nfs/dbraw/zinc/20/21/18/1399202118.db2.gz ZUSGZJUXYUOHEY-INIZCTEOSA-N 1 1 388.380 3.053 20 5 GGBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000020935902 1399357950 /nfs/dbraw/zinc/35/79/50/1399357950.db2.gz KXFINDSATINSRH-GOSISDBHSA-N 1 1 386.452 3.211 20 5 GGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)sc2C1 ZINC000021294611 1399372896 /nfs/dbraw/zinc/37/28/96/1399372896.db2.gz ZNIDWIBXCDWJIT-UHFFFAOYSA-N 1 1 387.465 3.256 20 5 GGBDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)sc2C1 ZINC000021294611 1399372903 /nfs/dbraw/zinc/37/29/03/1399372903.db2.gz ZNIDWIBXCDWJIT-UHFFFAOYSA-N 1 1 387.465 3.256 20 5 GGBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022291898 1399451496 /nfs/dbraw/zinc/45/14/96/1399451496.db2.gz RICMVIYAKXXHHJ-UHFFFAOYSA-N 1 1 378.432 3.045 20 5 GGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022976575 1399520579 /nfs/dbraw/zinc/52/05/79/1399520579.db2.gz MUBLQZYWCWLTRC-QLFBSQMISA-N 1 1 395.525 3.079 20 5 GGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022976575 1399520581 /nfs/dbraw/zinc/52/05/81/1399520581.db2.gz MUBLQZYWCWLTRC-QLFBSQMISA-N 1 1 395.525 3.079 20 5 GGBDMO CC(C)[N@@H+](Cc1ccccc1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000023382534 1399554547 /nfs/dbraw/zinc/55/45/47/1399554547.db2.gz RSRJOWBCUMQDSK-NRFANRHFSA-N 1 1 396.447 3.230 20 5 GGBDMO CC(C)[N@H+](Cc1ccccc1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000023382534 1399554548 /nfs/dbraw/zinc/55/45/48/1399554548.db2.gz RSRJOWBCUMQDSK-NRFANRHFSA-N 1 1 396.447 3.230 20 5 GGBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCCc2ccccc21 ZINC000023701926 1399580214 /nfs/dbraw/zinc/58/02/14/1399580214.db2.gz CPNOVNCVMGABAB-INIZCTEOSA-N 1 1 383.404 3.271 20 5 GGBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCCc2ccccc21 ZINC000023701923 1399580311 /nfs/dbraw/zinc/58/03/11/1399580311.db2.gz CPNOVNCVMGABAB-MRXNPFEDSA-N 1 1 383.404 3.271 20 5 GGBDMO Cc1cccc(C[NH+]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000023788690 1399585054 /nfs/dbraw/zinc/58/50/54/1399585054.db2.gz SLWRCBCNZXKXKB-UHFFFAOYSA-N 1 1 396.491 3.440 20 5 GGBDMO COc1ccc(C)cc1C[NH+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000023854110 1399586820 /nfs/dbraw/zinc/58/68/20/1399586820.db2.gz SPBLKCYIUKAKBL-UHFFFAOYSA-N 1 1 395.463 3.037 20 5 GGBDMO COc1cc(C)c(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000024805133 1399673597 /nfs/dbraw/zinc/67/35/97/1399673597.db2.gz LERPILHZEBPEDI-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO CC(C)[NH+]1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000025136449 1399754763 /nfs/dbraw/zinc/75/47/63/1399754763.db2.gz WFVAWUKCOYKUEL-IRXDYDNUSA-N 1 1 388.512 3.243 20 5 GGBDMO CC(C)[NH+]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000025136438 1399755396 /nfs/dbraw/zinc/75/53/96/1399755396.db2.gz WFVAWUKCOYKUEL-IAGOWNOFSA-N 1 1 388.512 3.243 20 5 GGBDMO CC(C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000025535873 1399817544 /nfs/dbraw/zinc/81/75/44/1399817544.db2.gz SGHLOLVHGKWUOF-FQEVSTJZSA-N 1 1 397.475 3.173 20 5 GGBDMO Cc1ccccc1C[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000025922756 1399846763 /nfs/dbraw/zinc/84/67/63/1399846763.db2.gz RYSGNIDUNDHCRL-UHFFFAOYSA-N 1 1 393.447 3.271 20 5 GGBDMO C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000025941280 1399848650 /nfs/dbraw/zinc/84/86/50/1399848650.db2.gz OCIKZOKSEATMED-KRWDZBQOSA-N 1 1 396.491 3.350 20 5 GGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c2c(c1)COCO2 ZINC000026117314 1399861724 /nfs/dbraw/zinc/86/17/24/1399861724.db2.gz ZSGRPYZGSFNFQD-FQEVSTJZSA-N 1 1 384.432 3.407 20 5 GGBDMO CCOc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000026223079 1399871165 /nfs/dbraw/zinc/87/11/65/1399871165.db2.gz MQAXLOBFYPMVCT-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC000026256670 1399874290 /nfs/dbraw/zinc/87/42/90/1399874290.db2.gz YTSPNSXWWQBEOQ-UHFFFAOYSA-N 1 1 391.399 3.212 20 5 GGBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026335739 1399879122 /nfs/dbraw/zinc/87/91/22/1399879122.db2.gz XOPDTLJPJSGXJI-MRXNPFEDSA-N 1 1 384.354 3.485 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCOc1ccccc1F ZINC000026337138 1399879131 /nfs/dbraw/zinc/87/91/31/1399879131.db2.gz SJTINWOKHUCXQT-UHFFFAOYSA-N 1 1 391.399 3.082 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+](C)CCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000026337172 1399879589 /nfs/dbraw/zinc/87/95/89/1399879589.db2.gz GCWMJFQKGSJCJH-UHFFFAOYSA-N 1 1 375.400 3.382 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000026356517 1399882149 /nfs/dbraw/zinc/88/21/49/1399882149.db2.gz QSKMSTTYHIMZEI-UHFFFAOYSA-N 1 1 398.419 3.160 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000026370522 1399883750 /nfs/dbraw/zinc/88/37/50/1399883750.db2.gz NPHFJWZAEWREIP-AWEZNQCLSA-N 1 1 385.420 3.133 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000026370522 1399883751 /nfs/dbraw/zinc/88/37/51/1399883751.db2.gz NPHFJWZAEWREIP-AWEZNQCLSA-N 1 1 385.420 3.133 20 5 GGBDMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000026474961 1399893784 /nfs/dbraw/zinc/89/37/84/1399893784.db2.gz MEIMMDFXBRPXCZ-IBGZPJMESA-N 1 1 381.432 3.330 20 5 GGBDMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000026474961 1399893785 /nfs/dbraw/zinc/89/37/85/1399893785.db2.gz MEIMMDFXBRPXCZ-IBGZPJMESA-N 1 1 381.432 3.330 20 5 GGBDMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000026474967 1399893926 /nfs/dbraw/zinc/89/39/26/1399893926.db2.gz MEIMMDFXBRPXCZ-LJQANCHMSA-N 1 1 381.432 3.330 20 5 GGBDMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000026474967 1399893929 /nfs/dbraw/zinc/89/39/29/1399893929.db2.gz MEIMMDFXBRPXCZ-LJQANCHMSA-N 1 1 381.432 3.330 20 5 GGBDMO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000026924617 1399952122 /nfs/dbraw/zinc/95/21/22/1399952122.db2.gz LBAPWWJKHQIXMM-MRXNPFEDSA-N 1 1 383.404 3.408 20 5 GGBDMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000026924617 1399952132 /nfs/dbraw/zinc/95/21/32/1399952132.db2.gz LBAPWWJKHQIXMM-MRXNPFEDSA-N 1 1 383.404 3.408 20 5 GGBDMO C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000026936898 1399953937 /nfs/dbraw/zinc/95/39/37/1399953937.db2.gz NKZLGMMHTKIXSM-HXUWFJFHSA-N 1 1 382.464 3.302 20 5 GGBDMO C[N@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000026936898 1399953946 /nfs/dbraw/zinc/95/39/46/1399953946.db2.gz NKZLGMMHTKIXSM-HXUWFJFHSA-N 1 1 382.464 3.302 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570585 1400059003 /nfs/dbraw/zinc/05/90/03/1400059003.db2.gz YFRFOTZTOTWACF-JKSUJKDBSA-N 1 1 396.447 3.273 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570585 1400059014 /nfs/dbraw/zinc/05/90/14/1400059014.db2.gz YFRFOTZTOTWACF-JKSUJKDBSA-N 1 1 396.447 3.273 20 5 GGBDMO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000027570871 1400059271 /nfs/dbraw/zinc/05/92/71/1400059271.db2.gz SHQXOVGXOMYKKP-CQSZACIVSA-N 1 1 375.450 3.232 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000027681483 1400076066 /nfs/dbraw/zinc/07/60/66/1400076066.db2.gz AQNXOBNHXKKUID-AWEZNQCLSA-N 1 1 375.400 3.380 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000027681483 1400076074 /nfs/dbraw/zinc/07/60/74/1400076074.db2.gz AQNXOBNHXKKUID-AWEZNQCLSA-N 1 1 375.400 3.380 20 5 GGBDMO COc1ccc(Cl)cc1C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000027739100 1400084420 /nfs/dbraw/zinc/08/44/20/1400084420.db2.gz ZLHPMOCCYWSESK-INIZCTEOSA-N 1 1 380.828 3.129 20 5 GGBDMO COc1ccc(Cl)cc1C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000027739094 1400084447 /nfs/dbraw/zinc/08/44/47/1400084447.db2.gz ZLHPMOCCYWSESK-MRXNPFEDSA-N 1 1 380.828 3.129 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000055798073 1407085172 /nfs/dbraw/zinc/08/51/72/1407085172.db2.gz QFVMPWLZIGQPFG-HOTGVXAUSA-N 1 1 383.448 3.134 20 5 GGBDMO CCOc1ccc(C[NH+]2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)cc1 ZINC000028620780 1400178308 /nfs/dbraw/zinc/17/83/08/1400178308.db2.gz NVSHAZOZPSHQBZ-UHFFFAOYSA-N 1 1 387.465 3.025 20 5 GGBDMO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000028974497 1400219434 /nfs/dbraw/zinc/21/94/34/1400219434.db2.gz IMCVNNHPZDVBJW-GOSISDBHSA-N 1 1 397.431 3.166 20 5 GGBDMO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000028974497 1400219436 /nfs/dbraw/zinc/21/94/36/1400219436.db2.gz IMCVNNHPZDVBJW-GOSISDBHSA-N 1 1 397.431 3.166 20 5 GGBDMO COc1ccc(C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000029173793 1400253932 /nfs/dbraw/zinc/25/39/32/1400253932.db2.gz MLEHTPSMSNTFGA-HXUWFJFHSA-N 1 1 397.475 3.416 20 5 GGBDMO CCC(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000029208207 1400258406 /nfs/dbraw/zinc/25/84/06/1400258406.db2.gz BCNPKBDFOKLTSF-KRWDZBQOSA-N 1 1 383.876 3.115 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029536822 1400311836 /nfs/dbraw/zinc/31/18/36/1400311836.db2.gz AKPHICOMPQWDSB-LJQANCHMSA-N 1 1 385.420 3.006 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029536822 1400311838 /nfs/dbraw/zinc/31/18/38/1400311838.db2.gz AKPHICOMPQWDSB-LJQANCHMSA-N 1 1 385.420 3.006 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000029536826 1400311895 /nfs/dbraw/zinc/31/18/95/1400311895.db2.gz FRFZPTQWQJDJBO-LJQANCHMSA-N 1 1 385.420 3.006 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000029536826 1400311897 /nfs/dbraw/zinc/31/18/97/1400311897.db2.gz FRFZPTQWQJDJBO-LJQANCHMSA-N 1 1 385.420 3.006 20 5 GGBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000029622301 1400324270 /nfs/dbraw/zinc/32/42/70/1400324270.db2.gz KABGLCYKEKDETO-UHFFFAOYSA-N 1 1 388.390 3.016 20 5 GGBDMO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029634462 1400326851 /nfs/dbraw/zinc/32/68/51/1400326851.db2.gz POOXXMXIGQLFJZ-UHFFFAOYSA-N 1 1 390.465 3.445 20 5 GGBDMO CNc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000029773232 1400350211 /nfs/dbraw/zinc/35/02/11/1400350211.db2.gz HUTYVIHMNMUMCL-UHFFFAOYSA-N 1 1 386.427 3.124 20 5 GGBDMO CNc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000029773232 1400350217 /nfs/dbraw/zinc/35/02/17/1400350217.db2.gz HUTYVIHMNMUMCL-UHFFFAOYSA-N 1 1 386.427 3.124 20 5 GGBDMO CC(=O)c1ccc(NCCC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000029998585 1400394438 /nfs/dbraw/zinc/39/44/38/1400394438.db2.gz OYDGZCICLIIINC-UHFFFAOYSA-N 1 1 382.464 3.422 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000055908837 1407130588 /nfs/dbraw/zinc/13/05/88/1407130588.db2.gz TYTULQWHPLHIMA-INIZCTEOSA-N 1 1 387.411 3.388 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000055908837 1407130601 /nfs/dbraw/zinc/13/06/01/1407130601.db2.gz TYTULQWHPLHIMA-INIZCTEOSA-N 1 1 387.411 3.388 20 5 GGBDMO O=C(c1ccsc1)N1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055905945 1407128285 /nfs/dbraw/zinc/12/82/85/1407128285.db2.gz MVWPLYNTEJUOSH-UHFFFAOYSA-N 1 1 389.477 3.273 20 5 GGBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](CCc2cccs2)CC1 ZINC000056302467 1407290850 /nfs/dbraw/zinc/29/08/50/1407290850.db2.gz FDEXRQGIHRSQOR-UHFFFAOYSA-N 1 1 384.461 3.138 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000043126966 1403712781 /nfs/dbraw/zinc/71/27/81/1403712781.db2.gz HKONEJJDOIGQAC-MRXNPFEDSA-N 1 1 388.424 3.036 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000043121827 1403712922 /nfs/dbraw/zinc/71/29/22/1403712922.db2.gz MIFZSGCTMMIVBE-CQSZACIVSA-N 1 1 384.436 3.172 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000043122346 1403713068 /nfs/dbraw/zinc/71/30/68/1403713068.db2.gz WBWAXZPXNDSJJH-LBPRGKRZSA-N 1 1 390.465 3.233 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000043122346 1403713073 /nfs/dbraw/zinc/71/30/73/1403713073.db2.gz WBWAXZPXNDSJJH-LBPRGKRZSA-N 1 1 390.465 3.233 20 5 GGBDMO Cc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000043148554 1403719951 /nfs/dbraw/zinc/71/99/51/1403719951.db2.gz VLGFUEKQVCBQCH-UHFFFAOYSA-N 1 1 376.457 3.060 20 5 GGBDMO CC[NH+]1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000043304033 1403743472 /nfs/dbraw/zinc/74/34/72/1403743472.db2.gz DENYNRDOSGBALD-HXUWFJFHSA-N 1 1 382.464 3.221 20 5 GGBDMO CC(C)C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000043342384 1403750532 /nfs/dbraw/zinc/75/05/32/1403750532.db2.gz YDTXYKIADCCCNL-AWEZNQCLSA-N 1 1 384.864 3.117 20 5 GGBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000043342503 1403750958 /nfs/dbraw/zinc/75/09/58/1403750958.db2.gz RNOFFUNYZNMXDE-RYUDHWBXSA-N 1 1 384.864 3.258 20 5 GGBDMO CCC(CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+]1CCOCC1 ZINC000043347294 1403751537 /nfs/dbraw/zinc/75/15/37/1403751537.db2.gz SAEOQKINIQGMNH-GOSISDBHSA-N 1 1 378.473 3.162 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438855 1403934075 /nfs/dbraw/zinc/93/40/75/1403934075.db2.gz GGEIARVSSSUDJZ-UHFFFAOYSA-N 1 1 379.363 3.342 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000044638113 1403971129 /nfs/dbraw/zinc/97/11/29/1403971129.db2.gz WTPFJUBXJOKHNP-HZPDHXFCSA-N 1 1 383.448 3.134 20 5 GGBDMO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000044637996 1403971135 /nfs/dbraw/zinc/97/11/35/1403971135.db2.gz KYBPPWHHFGFIPC-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO Cc1cc(C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000044637996 1403971139 /nfs/dbraw/zinc/97/11/39/1403971139.db2.gz KYBPPWHHFGFIPC-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000045621583 1404164805 /nfs/dbraw/zinc/16/48/05/1404164805.db2.gz PBYSNTBSBVVELV-UHFFFAOYSA-N 1 1 386.427 3.151 20 5 GGBDMO O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000045621583 1404164807 /nfs/dbraw/zinc/16/48/07/1404164807.db2.gz PBYSNTBSBVVELV-UHFFFAOYSA-N 1 1 386.427 3.151 20 5 GGBDMO CC[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000045625280 1404165251 /nfs/dbraw/zinc/16/52/51/1404165251.db2.gz RYVIDBLYMRFGTJ-IBGZPJMESA-N 1 1 382.464 3.231 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000045683357 1404176909 /nfs/dbraw/zinc/17/69/09/1404176909.db2.gz AMYQNRKXBALLMC-UHFFFAOYSA-N 1 1 386.408 3.224 20 5 GGBDMO CC(C)(C)c1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000046047631 1404283871 /nfs/dbraw/zinc/28/38/71/1404283871.db2.gz WOTCZBKPXKEYMI-QGZVFWFLSA-N 1 1 389.496 3.219 20 5 GGBDMO CC(C)(C)c1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000046047628 1404283980 /nfs/dbraw/zinc/28/39/80/1404283980.db2.gz WOTCZBKPXKEYMI-KRWDZBQOSA-N 1 1 389.496 3.219 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046149148 1404312677 /nfs/dbraw/zinc/31/26/77/1404312677.db2.gz NAWAOQGZZCNVSF-HOTGVXAUSA-N 1 1 383.448 3.134 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000046576073 1404489787 /nfs/dbraw/zinc/48/97/87/1404489787.db2.gz FOFVYPTWTZTNSH-KRWDZBQOSA-N 1 1 397.475 3.235 20 5 GGBDMO CCOc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)cc1[N+](=O)[O-] ZINC000046930833 1404638678 /nfs/dbraw/zinc/63/86/78/1404638678.db2.gz RMIGSEMVIGMQNN-UHFFFAOYSA-N 1 1 376.438 3.080 20 5 GGBDMO CCOc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)cc1[N+](=O)[O-] ZINC000046930833 1404638690 /nfs/dbraw/zinc/63/86/90/1404638690.db2.gz RMIGSEMVIGMQNN-UHFFFAOYSA-N 1 1 376.438 3.080 20 5 GGBDMO CCOc1cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000046991507 1404666082 /nfs/dbraw/zinc/66/60/82/1404666082.db2.gz QJPUJZSHPTWXFX-HNNXBMFYSA-N 1 1 393.484 3.244 20 5 GGBDMO C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000047004073 1404670950 /nfs/dbraw/zinc/67/09/50/1404670950.db2.gz DHXQUPRGYFPWAL-MRXNPFEDSA-N 1 1 382.464 3.183 20 5 GGBDMO CCOC(=O)c1cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000047213926 1404750410 /nfs/dbraw/zinc/75/04/10/1404750410.db2.gz PFDFFNVCOWZVDG-HNNXBMFYSA-N 1 1 391.468 3.013 20 5 GGBDMO C[C@@H]1CCC[N@@H+](Cc2csc(=NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[nH]2)C1 ZINC000048315800 1405140860 /nfs/dbraw/zinc/14/08/60/1405140860.db2.gz CPJQEXIYXKUENQ-GFCCVEGCSA-N 1 1 399.476 3.439 20 5 GGBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000048315435 1405141462 /nfs/dbraw/zinc/14/14/62/1405141462.db2.gz OJCOHAMQKKYALX-UHFFFAOYSA-N 1 1 378.432 3.424 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000049789676 1405415531 /nfs/dbraw/zinc/41/55/31/1405415531.db2.gz NZPFCEKBBDUTGE-SFHVURJKSA-N 1 1 386.452 3.048 20 5 GGBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000050899953 1405680349 /nfs/dbraw/zinc/68/03/49/1405680349.db2.gz OBZWRQIJWXFUQI-GFCCVEGCSA-N 1 1 378.454 3.068 20 5 GGBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000050899953 1405680364 /nfs/dbraw/zinc/68/03/64/1405680364.db2.gz OBZWRQIJWXFUQI-GFCCVEGCSA-N 1 1 378.454 3.068 20 5 GGBDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051406820 1405806047 /nfs/dbraw/zinc/80/60/47/1405806047.db2.gz KMIATSBBPYHMBB-MRXNPFEDSA-N 1 1 384.354 3.485 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000051407776 1405806094 /nfs/dbraw/zinc/80/60/94/1405806094.db2.gz HEFVZMLQNXCURY-QGZVFWFLSA-N 1 1 378.375 3.277 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000051407776 1405806095 /nfs/dbraw/zinc/80/60/95/1405806095.db2.gz HEFVZMLQNXCURY-QGZVFWFLSA-N 1 1 378.375 3.277 20 5 GGBDMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000051420407 1405808049 /nfs/dbraw/zinc/80/80/49/1405808049.db2.gz FOZNCNYQCWWWSE-UHFFFAOYSA-N 1 1 394.431 3.134 20 5 GGBDMO CSc1ccccc1NC(=O)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000051472974 1405817054 /nfs/dbraw/zinc/81/70/54/1405817054.db2.gz TYMKHTFEFSWVRO-UHFFFAOYSA-N 1 1 375.450 3.266 20 5 GGBDMO CSc1ccccc1NC(=O)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000051472974 1405817056 /nfs/dbraw/zinc/81/70/56/1405817056.db2.gz TYMKHTFEFSWVRO-UHFFFAOYSA-N 1 1 375.450 3.266 20 5 GGBDMO Cc1cccc(C[NH+]2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)c1 ZINC000051656238 1405845761 /nfs/dbraw/zinc/84/57/61/1405845761.db2.gz WPZTUSQMZCHWBB-UHFFFAOYSA-N 1 1 393.447 3.271 20 5 GGBDMO CCCC[N@H+](C)CC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000052209423 1405984689 /nfs/dbraw/zinc/98/46/89/1405984689.db2.gz BLXXJDUJQJTFEK-UHFFFAOYSA-N 1 1 377.485 3.405 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000052209423 1405984706 /nfs/dbraw/zinc/98/47/06/1405984706.db2.gz BLXXJDUJQJTFEK-UHFFFAOYSA-N 1 1 377.485 3.405 20 5 GGBDMO CN(C(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000052866182 1406206089 /nfs/dbraw/zinc/20/60/89/1406206089.db2.gz BWBQTUYZLCFHIY-FQEVSTJZSA-N 1 1 383.448 3.239 20 5 GGBDMO CN(C(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000052866182 1406206105 /nfs/dbraw/zinc/20/61/05/1406206105.db2.gz BWBQTUYZLCFHIY-FQEVSTJZSA-N 1 1 383.448 3.239 20 5 GGBDMO O=C(C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052866250 1406206190 /nfs/dbraw/zinc/20/61/90/1406206190.db2.gz DXFJIDIDUSACJR-HXUWFJFHSA-N 1 1 395.459 3.165 20 5 GGBDMO O=C(C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052866250 1406206199 /nfs/dbraw/zinc/20/61/99/1406206199.db2.gz DXFJIDIDUSACJR-HXUWFJFHSA-N 1 1 395.459 3.165 20 5 GGBDMO C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056761099 1407422895 /nfs/dbraw/zinc/42/28/95/1407422895.db2.gz NOQYGGUUEFIQJK-INIZCTEOSA-N 1 1 398.463 3.352 20 5 GGBDMO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000056849070 1407455154 /nfs/dbraw/zinc/45/51/54/1407455154.db2.gz QUQAFZZEUAWSCJ-AWEZNQCLSA-N 1 1 378.432 3.253 20 5 GGBDMO CC(C)CCSc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000057342605 1407592572 /nfs/dbraw/zinc/59/25/72/1407592572.db2.gz YCROXEXMQNVRMX-UHFFFAOYSA-N 1 1 395.525 3.185 20 5 GGBDMO C[C@@H](Nc1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057702350 1407691711 /nfs/dbraw/zinc/69/17/11/1407691711.db2.gz WFYCZIZPABDCRM-LSDHHAIUSA-N 1 1 397.479 3.375 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000057704799 1407693098 /nfs/dbraw/zinc/69/30/98/1407693098.db2.gz DBJRVIZLRMOSFC-OAHLLOKOSA-N 1 1 395.506 3.080 20 5 GGBDMO COc1ccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000058015364 1407770613 /nfs/dbraw/zinc/77/06/13/1407770613.db2.gz UDRWZHIVGRJWBS-UHFFFAOYSA-N 1 1 375.469 3.332 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000058297542 1407808923 /nfs/dbraw/zinc/80/89/23/1407808923.db2.gz DAWUXSXFLSFBDM-INIZCTEOSA-N 1 1 385.468 3.165 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000058560633 1407844706 /nfs/dbraw/zinc/84/47/06/1407844706.db2.gz JRLDTVKRVUIYLW-OAHLLOKOSA-N 1 1 395.506 3.080 20 5 GGBDMO Cc1c(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cccc1[N+](=O)[O-] ZINC000058856325 1407889438 /nfs/dbraw/zinc/88/94/38/1407889438.db2.gz GRHPDLDEFLLGSA-UHFFFAOYSA-N 1 1 376.457 3.060 20 5 GGBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000058932426 1407900484 /nfs/dbraw/zinc/90/04/84/1407900484.db2.gz MCNNRCDGGVANJZ-CQSZACIVSA-N 1 1 378.450 3.070 20 5 GGBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000058932426 1407900487 /nfs/dbraw/zinc/90/04/87/1407900487.db2.gz MCNNRCDGGVANJZ-CQSZACIVSA-N 1 1 378.450 3.070 20 5 GGBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000058932424 1407900769 /nfs/dbraw/zinc/90/07/69/1407900769.db2.gz MCNNRCDGGVANJZ-AWEZNQCLSA-N 1 1 378.450 3.070 20 5 GGBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000058932424 1407900773 /nfs/dbraw/zinc/90/07/73/1407900773.db2.gz MCNNRCDGGVANJZ-AWEZNQCLSA-N 1 1 378.450 3.070 20 5 GGBDMO O=C(CCCc1ccccc1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000060320565 1407952490 /nfs/dbraw/zinc/95/24/90/1407952490.db2.gz GYUHYMTZNKCHMB-UHFFFAOYSA-N 1 1 381.476 3.304 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000060369955 1407963779 /nfs/dbraw/zinc/96/37/79/1407963779.db2.gz UASXOMFYPYSXNB-MRXNPFEDSA-N 1 1 384.436 3.118 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000061284762 1408100752 /nfs/dbraw/zinc/10/07/52/1408100752.db2.gz MBOKHOMMZZPCNN-UHFFFAOYSA-N 1 1 387.461 3.405 20 5 GGBDMO O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285575 1408101855 /nfs/dbraw/zinc/10/18/55/1408101855.db2.gz MFSLZCFQKPTWJM-UHFFFAOYSA-N 1 1 387.461 3.161 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000061333101 1408109464 /nfs/dbraw/zinc/10/94/64/1408109464.db2.gz ZPKCLMYLBMTPKN-HNNXBMFYSA-N 1 1 375.469 3.074 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000176396288 1428300292 /nfs/dbraw/zinc/30/02/92/1428300292.db2.gz KDGLNOBQIWTDLB-AWEZNQCLSA-N 1 1 375.391 3.180 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1)CC(F)(F)F ZINC000176398201 1428301183 /nfs/dbraw/zinc/30/11/83/1428301183.db2.gz FWTPKYLLSSMCEE-ZDUSSCGKSA-N 1 1 375.391 3.310 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000062281425 1408228913 /nfs/dbraw/zinc/22/89/13/1408228913.db2.gz YHRBIGNNTSFAQL-UHFFFAOYSA-N 1 1 375.469 3.332 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000176408832 1428307450 /nfs/dbraw/zinc/30/74/50/1428307450.db2.gz SDMHQUGXRNILIB-CQSZACIVSA-N 1 1 375.391 3.180 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1F ZINC000063254760 1408324353 /nfs/dbraw/zinc/32/43/53/1408324353.db2.gz IWMWQHOOQXXQQN-UHFFFAOYSA-N 1 1 394.366 3.077 20 5 GGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000063490103 1408362760 /nfs/dbraw/zinc/36/27/60/1408362760.db2.gz PUQGVKZHETYNAQ-QGZVFWFLSA-N 1 1 377.488 3.001 20 5 GGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000063728173 1408397870 /nfs/dbraw/zinc/39/78/70/1408397870.db2.gz POHNEYCAQMUNCK-ZDUSSCGKSA-N 1 1 383.876 3.348 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000063758457 1408403138 /nfs/dbraw/zinc/40/31/38/1408403138.db2.gz HHVDXKBPZBSFBP-CYBMUJFWSA-N 1 1 378.429 3.053 20 5 GGBDMO C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000064113308 1408485621 /nfs/dbraw/zinc/48/56/21/1408485621.db2.gz LEJXYPGTAZORNW-CABCVRRESA-N 1 1 385.468 3.092 20 5 GGBDMO COc1ccc(CSCC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000064312018 1408532400 /nfs/dbraw/zinc/53/24/00/1408532400.db2.gz ZWVOGLSTKSNQCG-CABCVRRESA-N 1 1 395.525 3.073 20 5 GGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000064421315 1408551020 /nfs/dbraw/zinc/55/10/20/1408551020.db2.gz MAGGICIMLFLOHE-CQSZACIVSA-N 1 1 391.855 3.264 20 5 GGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000064725658 1408601773 /nfs/dbraw/zinc/60/17/73/1408601773.db2.gz JTUFAESDSWUOES-SOLBZPMBSA-N 1 1 397.479 3.258 20 5 GGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000064735737 1408604375 /nfs/dbraw/zinc/60/43/75/1408604375.db2.gz IOAHFBDWTGFCAD-FCEWJHQRSA-N 1 1 397.479 3.258 20 5 GGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000064736619 1408605024 /nfs/dbraw/zinc/60/50/24/1408605024.db2.gz AZUJHMCFPMGFOF-OAHLLOKOSA-N 1 1 385.468 3.156 20 5 GGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000064739899 1408605536 /nfs/dbraw/zinc/60/55/36/1408605536.db2.gz MSWCNQBTSZCESL-LJISPDSOSA-N 1 1 397.903 3.498 20 5 GGBDMO Cn1cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064821992 1408616027 /nfs/dbraw/zinc/61/60/27/1408616027.db2.gz HAYLTCUUHWQKFA-UHFFFAOYSA-N 1 1 399.495 3.380 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000064956511 1408631665 /nfs/dbraw/zinc/63/16/65/1408631665.db2.gz MXDCMBSFCHYWGL-NVXWUHKLSA-N 1 1 389.477 3.017 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000064956511 1408631669 /nfs/dbraw/zinc/63/16/69/1408631669.db2.gz MXDCMBSFCHYWGL-NVXWUHKLSA-N 1 1 389.477 3.017 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC000064960225 1408632405 /nfs/dbraw/zinc/63/24/05/1408632405.db2.gz TWMXSCSTBXOFLX-ZDUSSCGKSA-N 1 1 383.514 3.000 20 5 GGBDMO CCOc1ccc(C[NH+]2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000065209213 1408652688 /nfs/dbraw/zinc/65/26/88/1408652688.db2.gz LMUUAKCNCFBZHW-UHFFFAOYSA-N 1 1 385.464 3.190 20 5 GGBDMO CCOc1ccc(CN2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000065209213 1408652691 /nfs/dbraw/zinc/65/26/91/1408652691.db2.gz LMUUAKCNCFBZHW-UHFFFAOYSA-N 1 1 385.464 3.190 20 5 GGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000065510564 1408681262 /nfs/dbraw/zinc/68/12/62/1408681262.db2.gz SGJHBJGPEDBYFW-UHFFFAOYSA-N 1 1 388.512 3.435 20 5 GGBDMO CC[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000065511740 1408681463 /nfs/dbraw/zinc/68/14/63/1408681463.db2.gz NUZOYKIWOMSWMW-HXUWFJFHSA-N 1 1 396.491 3.273 20 5 GGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000065521843 1408683684 /nfs/dbraw/zinc/68/36/84/1408683684.db2.gz CRQQEBICXWAEEX-AEFFLSMTSA-N 1 1 397.479 3.141 20 5 GGBDMO CC(C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000065866103 1408744365 /nfs/dbraw/zinc/74/43/65/1408744365.db2.gz CPFHWYNQIUTHJY-OAQYLSRUSA-N 1 1 396.491 3.206 20 5 GGBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065901458 1408750687 /nfs/dbraw/zinc/75/06/87/1408750687.db2.gz LCHCGGHOEKFJME-GOSISDBHSA-N 1 1 382.464 3.035 20 5 GGBDMO CN(C(=O)C[NH+]1CCC(N(C)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000065956617 1408761974 /nfs/dbraw/zinc/76/19/74/1408761974.db2.gz YKRUPMVOGILLER-UHFFFAOYSA-N 1 1 382.464 3.158 20 5 GGBDMO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000066484014 1408845358 /nfs/dbraw/zinc/84/53/58/1408845358.db2.gz MVUQSBHEENNWRB-FQEVSTJZSA-N 1 1 386.448 3.448 20 5 GGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)c2C1 ZINC000066514221 1408851124 /nfs/dbraw/zinc/85/11/24/1408851124.db2.gz AMWUWWSWGKKJGD-UHFFFAOYSA-N 1 1 385.420 3.347 20 5 GGBDMO CCC[N@H+]1Cc2cccc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)c2C1 ZINC000066514221 1408851126 /nfs/dbraw/zinc/85/11/26/1408851126.db2.gz AMWUWWSWGKKJGD-UHFFFAOYSA-N 1 1 385.420 3.347 20 5 GGBDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C)cc2)CC1 ZINC000067163553 1409029163 /nfs/dbraw/zinc/02/91/63/1409029163.db2.gz OYLDVTSAJZSREH-UHFFFAOYSA-N 1 1 382.464 3.293 20 5 GGBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000176579085 1428369698 /nfs/dbraw/zinc/36/96/98/1428369698.db2.gz HNSHLHCEVCAFAO-MAUKXSAKSA-N 1 1 383.448 3.386 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000067203008 1409040823 /nfs/dbraw/zinc/04/08/23/1409040823.db2.gz ZQSUTRIGHIUWFJ-MRXNPFEDSA-N 1 1 375.469 3.378 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000176582040 1428370485 /nfs/dbraw/zinc/37/04/85/1428370485.db2.gz NOKLYEKFURAFFU-RDJZCZTQSA-N 1 1 383.448 3.386 20 5 GGBDMO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067361747 1409085053 /nfs/dbraw/zinc/08/50/53/1409085053.db2.gz GZEWHSHURJVETK-KRWDZBQOSA-N 1 1 383.448 3.245 20 5 GGBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067361835 1409085885 /nfs/dbraw/zinc/08/58/85/1409085885.db2.gz BEJBWWCTXYKSHT-GOSISDBHSA-N 1 1 383.448 3.002 20 5 GGBDMO Cc1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000067383142 1409095774 /nfs/dbraw/zinc/09/57/74/1409095774.db2.gz ZCUYPEZHNCHRBJ-GOSISDBHSA-N 1 1 377.466 3.022 20 5 GGBDMO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067452126 1409121577 /nfs/dbraw/zinc/12/15/77/1409121577.db2.gz OIXRKAVCLPRRRV-OAQYLSRUSA-N 1 1 396.491 3.332 20 5 GGBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067570066 1409169587 /nfs/dbraw/zinc/16/95/87/1409169587.db2.gz KFLUSLLHBRLSTJ-SFHVURJKSA-N 1 1 382.464 3.306 20 5 GGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000176627787 1428384280 /nfs/dbraw/zinc/38/42/80/1428384280.db2.gz QWUMAPKIEBPRAN-QGZVFWFLSA-N 1 1 390.484 3.022 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067793895 1409232901 /nfs/dbraw/zinc/23/29/01/1409232901.db2.gz BZZDMUAAXAVMJA-GOSISDBHSA-N 1 1 383.448 3.145 20 5 GGBDMO CS(=O)(=O)c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000067948656 1409261933 /nfs/dbraw/zinc/26/19/33/1409261933.db2.gz GZIQQPVCRCDGTL-MRXNPFEDSA-N 1 1 395.506 3.309 20 5 GGBDMO Cc1c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068085189 1409295522 /nfs/dbraw/zinc/29/55/22/1409295522.db2.gz QTUWAKXQXNTNEY-ZDUSSCGKSA-N 1 1 378.429 3.053 20 5 GGBDMO COc1ccc(CSCC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000068118603 1409307752 /nfs/dbraw/zinc/30/77/52/1409307752.db2.gz JUUZFYFDHMTFIZ-CABCVRRESA-N 1 1 395.525 3.073 20 5 GGBDMO CC[N@@H+](Cc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000068183720 1409325479 /nfs/dbraw/zinc/32/54/79/1409325479.db2.gz QLTYZZZHKVDMMM-UHFFFAOYSA-N 1 1 383.448 3.388 20 5 GGBDMO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000068219200 1409333543 /nfs/dbraw/zinc/33/35/43/1409333543.db2.gz LPCBIENDDCKMBZ-OAHLLOKOSA-N 1 1 382.464 3.419 20 5 GGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000068265593 1409345866 /nfs/dbraw/zinc/34/58/66/1409345866.db2.gz QABILFYMVYUOFV-FZMZJTMJSA-N 1 1 381.816 3.028 20 5 GGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000068359622 1409378332 /nfs/dbraw/zinc/37/83/32/1409378332.db2.gz AZUJHMCFPMGFOF-HNNXBMFYSA-N 1 1 385.468 3.156 20 5 GGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000068359801 1409378344 /nfs/dbraw/zinc/37/83/44/1409378344.db2.gz OBPXJMJEZKEAST-INIZCTEOSA-N 1 1 399.495 3.402 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000068555197 1409437807 /nfs/dbraw/zinc/43/78/07/1409437807.db2.gz GVFSVTHXXWWNAG-IYBDPMFKSA-N 1 1 390.484 3.256 20 5 GGBDMO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068926919 1409526269 /nfs/dbraw/zinc/52/62/69/1409526269.db2.gz SYATVIAUMQUQRK-UHFFFAOYSA-N 1 1 395.463 3.108 20 5 GGBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000069001592 1409540566 /nfs/dbraw/zinc/54/05/66/1409540566.db2.gz UBHRVXDZPNCHSL-MRXNPFEDSA-N 1 1 399.495 3.181 20 5 GGBDMO COc1ccc(CSCC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000069035846 1409549287 /nfs/dbraw/zinc/54/92/87/1409549287.db2.gz HCDADRWPCWRJRJ-INIZCTEOSA-N 1 1 395.525 3.073 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccco1 ZINC000069039948 1409550519 /nfs/dbraw/zinc/55/05/19/1409550519.db2.gz ZWMBEAWMFCEHIM-GOSISDBHSA-N 1 1 386.452 3.211 20 5 GGBDMO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000069085727 1409560851 /nfs/dbraw/zinc/56/08/51/1409560851.db2.gz SRDACGAXLNAWFM-IBGZPJMESA-N 1 1 381.432 3.330 20 5 GGBDMO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000069085727 1409560856 /nfs/dbraw/zinc/56/08/56/1409560856.db2.gz SRDACGAXLNAWFM-IBGZPJMESA-N 1 1 381.432 3.330 20 5 GGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000069369062 1409623639 /nfs/dbraw/zinc/62/36/39/1409623639.db2.gz AFHJATHYIIKLDR-NVXWUHKLSA-N 1 1 385.489 3.466 20 5 GGBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000069475917 1409640020 /nfs/dbraw/zinc/64/00/20/1409640020.db2.gz PLUSXFMZYFFXFZ-KRWDZBQOSA-N 1 1 388.512 3.293 20 5 GGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000070702117 1409754723 /nfs/dbraw/zinc/75/47/23/1409754723.db2.gz OTBJCTJLZPMAJQ-IBGZPJMESA-N 1 1 398.463 3.355 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC[N@H+](C)Cc2ccccc2)c1C ZINC000071808509 1409824980 /nfs/dbraw/zinc/82/49/80/1409824980.db2.gz ILEFYKBZQBLXKL-UHFFFAOYSA-N 1 1 391.493 3.012 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176720888 1428433257 /nfs/dbraw/zinc/43/32/57/1428433257.db2.gz LXEUSRWTJPEBPG-RHSMWYFYSA-N 1 1 398.419 3.286 20 5 GGBDMO CC[NH+](CC)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000071862624 1409828255 /nfs/dbraw/zinc/82/82/55/1409828255.db2.gz GDMUFMYPLFEXMK-GOSISDBHSA-N 1 1 381.436 3.284 20 5 GGBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000071872586 1409828567 /nfs/dbraw/zinc/82/85/67/1409828567.db2.gz IJPQQMSFNGBZOI-HNNXBMFYSA-N 1 1 395.506 3.080 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176720934 1428433365 /nfs/dbraw/zinc/43/33/65/1428433365.db2.gz LXEUSRWTJPEBPG-YOEHRIQHSA-N 1 1 398.419 3.286 20 5 GGBDMO O=[N+]([O-])c1ccc(CCN2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000071952721 1409832780 /nfs/dbraw/zinc/83/27/80/1409832780.db2.gz YTPGAQKEKHBQLY-UHFFFAOYSA-N 1 1 398.463 3.296 20 5 GGBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000072685452 1409852514 /nfs/dbraw/zinc/85/25/14/1409852514.db2.gz QPTQVWGTOPBVIZ-IPELMVKDSA-N 1 1 375.469 3.367 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000072809684 1409853388 /nfs/dbraw/zinc/85/33/88/1409853388.db2.gz GSMDAQJCZLVOCW-IRXDYDNUSA-N 1 1 375.469 3.087 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072811521 1409853893 /nfs/dbraw/zinc/85/38/93/1409853893.db2.gz PLPJMTGBHGSMQL-CVEARBPZSA-N 1 1 375.469 3.330 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000074319621 1409871761 /nfs/dbraw/zinc/87/17/61/1409871761.db2.gz CBHZPQPPXQJVRK-INIZCTEOSA-N 1 1 376.501 3.366 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000085619996 1410042726 /nfs/dbraw/zinc/04/27/26/1410042726.db2.gz BLVROYLQIOPKNX-OKILXGFUSA-N 1 1 378.473 3.221 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000085619996 1410042734 /nfs/dbraw/zinc/04/27/34/1410042734.db2.gz BLVROYLQIOPKNX-OKILXGFUSA-N 1 1 378.473 3.221 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000091772526 1410080191 /nfs/dbraw/zinc/08/01/91/1410080191.db2.gz MPVCYWPGEXEPKH-LBPRGKRZSA-N 1 1 378.347 3.155 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000091772526 1410080199 /nfs/dbraw/zinc/08/01/99/1410080199.db2.gz MPVCYWPGEXEPKH-LBPRGKRZSA-N 1 1 378.347 3.155 20 5 GGBDMO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000092188416 1410117658 /nfs/dbraw/zinc/11/76/58/1410117658.db2.gz CJGMPAZZMAOBFC-INIZCTEOSA-N 1 1 386.477 3.313 20 5 GGBDMO CCOc1cc(C[N@H+]2CC[C@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000092471670 1410160263 /nfs/dbraw/zinc/16/02/63/1410160263.db2.gz SADYPJPFWYMCNS-HNNXBMFYSA-N 1 1 388.468 3.419 20 5 GGBDMO CCOc1cc(C[N@H+]2CC[C@@H](C)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000092471671 1410160562 /nfs/dbraw/zinc/16/05/62/1410160562.db2.gz SADYPJPFWYMCNS-OAHLLOKOSA-N 1 1 388.468 3.419 20 5 GGBDMO CCOc1cc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000092642465 1410181515 /nfs/dbraw/zinc/18/15/15/1410181515.db2.gz JOEVIXLWCKAPBE-IYBDPMFKSA-N 1 1 377.485 3.319 20 5 GGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CCC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000092660349 1410183329 /nfs/dbraw/zinc/18/33/29/1410183329.db2.gz BUHBYLZIDNGZIU-AWEZNQCLSA-N 1 1 387.436 3.341 20 5 GGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092706621 1410191740 /nfs/dbraw/zinc/19/17/40/1410191740.db2.gz NBUBHPQWRZRSOH-ZDUSSCGKSA-N 1 1 385.411 3.180 20 5 GGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092706621 1410191745 /nfs/dbraw/zinc/19/17/45/1410191745.db2.gz NBUBHPQWRZRSOH-ZDUSSCGKSA-N 1 1 385.411 3.180 20 5 GGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092730942 1410194803 /nfs/dbraw/zinc/19/48/03/1410194803.db2.gz RLCAHWVKHFJLHM-GJZGRUSLSA-N 1 1 393.484 3.129 20 5 GGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092730934 1410194912 /nfs/dbraw/zinc/19/49/12/1410194912.db2.gz RLCAHWVKHFJLHM-HUUCEWRRSA-N 1 1 393.484 3.129 20 5 GGBDMO Cn1cc(C[N@@H+](CCC2CCCCC2)CC(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092784495 1410200048 /nfs/dbraw/zinc/20/00/48/1410200048.db2.gz YDPVCOONJCFKDR-UHFFFAOYSA-N 1 1 399.495 3.253 20 5 GGBDMO CCc1nn(C)c(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000092828433 1410203791 /nfs/dbraw/zinc/20/37/91/1410203791.db2.gz VGCLDYYOSZCAHQ-GASCZTMLSA-N 1 1 387.484 3.112 20 5 GGBDMO CCc1nn(C)c(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000092827668 1410204610 /nfs/dbraw/zinc/20/46/10/1410204610.db2.gz ZPESMMKDSYPDKS-UHFFFAOYSA-N 1 1 377.876 3.256 20 5 GGBDMO CCc1nn(C)c(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000092827668 1410204622 /nfs/dbraw/zinc/20/46/22/1410204622.db2.gz ZPESMMKDSYPDKS-UHFFFAOYSA-N 1 1 377.876 3.256 20 5 GGBDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCOCC1 ZINC000093014453 1410216292 /nfs/dbraw/zinc/21/62/92/1410216292.db2.gz LZKINRFVDUTKAE-IBGZPJMESA-N 1 1 399.447 3.068 20 5 GGBDMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCOCC1 ZINC000093014453 1410216300 /nfs/dbraw/zinc/21/63/00/1410216300.db2.gz LZKINRFVDUTKAE-IBGZPJMESA-N 1 1 399.447 3.068 20 5 GGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)o2)c([N+](=O)[O-])c1 ZINC000093278265 1410228651 /nfs/dbraw/zinc/22/86/51/1410228651.db2.gz VMCSYZUGSIKBIG-OAHLLOKOSA-N 1 1 399.447 3.450 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093482643 1410248570 /nfs/dbraw/zinc/24/85/70/1410248570.db2.gz FXBDGYYJCBCZBV-WCQYABFASA-N 1 1 392.374 3.280 20 5 GGBDMO O=C1CCCCN1CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093532333 1410249892 /nfs/dbraw/zinc/24/98/92/1410249892.db2.gz MGYSQZREOYPHAJ-UHFFFAOYSA-N 1 1 397.422 3.421 20 5 GGBDMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534278 1410250564 /nfs/dbraw/zinc/25/05/64/1410250564.db2.gz ARXMWPOBACDANH-QGZVFWFLSA-N 1 1 378.436 3.170 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)nc1 ZINC000093534261 1410250676 /nfs/dbraw/zinc/25/06/76/1410250676.db2.gz RHHRRWGVTYEOKN-LBPRGKRZSA-N 1 1 382.342 3.417 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)nc1 ZINC000093534261 1410250680 /nfs/dbraw/zinc/25/06/80/1410250680.db2.gz RHHRRWGVTYEOKN-LBPRGKRZSA-N 1 1 382.342 3.417 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)nc1 ZINC000093534772 1410252045 /nfs/dbraw/zinc/25/20/45/1410252045.db2.gz HSWINAUPMGOJJE-INIZCTEOSA-N 1 1 392.419 3.259 20 5 GGBDMO COCCCOc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534893 1410252144 /nfs/dbraw/zinc/25/21/44/1410252144.db2.gz ZZNWIEUOPKKLPC-QGZVFWFLSA-N 1 1 386.452 3.092 20 5 GGBDMO CC(C)OCC[NH+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000093586323 1410254856 /nfs/dbraw/zinc/25/48/56/1410254856.db2.gz NDNYWLYPSKQRQQ-UHFFFAOYSA-N 1 1 390.509 3.261 20 5 GGBDMO COCCOC[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093754154 1410263469 /nfs/dbraw/zinc/26/34/69/1410263469.db2.gz UXJFRVGPMGIPFX-CQSZACIVSA-N 1 1 377.466 3.203 20 5 GGBDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093754974 1410263826 /nfs/dbraw/zinc/26/38/26/1410263826.db2.gz ZVGJNRIPPZDEND-HNNXBMFYSA-N 1 1 390.436 3.348 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000093910110 1410283526 /nfs/dbraw/zinc/28/35/26/1410283526.db2.gz GMYDEPFWLSGCDC-GASCZTMLSA-N 1 1 377.485 3.138 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000093910110 1410283531 /nfs/dbraw/zinc/28/35/31/1410283531.db2.gz GMYDEPFWLSGCDC-GASCZTMLSA-N 1 1 377.485 3.138 20 5 GGBDMO CCC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101539271 1410455266 /nfs/dbraw/zinc/45/52/66/1410455266.db2.gz RHFDPSLPIHYFCX-UHFFFAOYSA-N 1 1 399.495 3.382 20 5 GGBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000101558992 1410463741 /nfs/dbraw/zinc/46/37/41/1410463741.db2.gz YKRVLWDUDZUBDL-UHFFFAOYSA-N 1 1 394.431 3.413 20 5 GGBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000101920236 1410524793 /nfs/dbraw/zinc/52/47/93/1410524793.db2.gz GKJGCVKGJNHBIL-INIZCTEOSA-N 1 1 388.399 3.009 20 5 GGBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000101920236 1410524797 /nfs/dbraw/zinc/52/47/97/1410524797.db2.gz GKJGCVKGJNHBIL-INIZCTEOSA-N 1 1 388.399 3.009 20 5 GGBDMO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000102422368 1410625520 /nfs/dbraw/zinc/62/55/20/1410625520.db2.gz JNLPRFKSTIBQHW-MRXNPFEDSA-N 1 1 388.537 3.439 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000176885061 1428512104 /nfs/dbraw/zinc/51/21/04/1428512104.db2.gz HIHOHYDGGRIQCM-QFBILLFUSA-N 1 1 382.464 3.399 20 5 GGBDMO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931348 1410809514 /nfs/dbraw/zinc/80/95/14/1410809514.db2.gz VFHWSERCWBKBIQ-UHFFFAOYSA-N 1 1 398.463 3.066 20 5 GGBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931348 1410809516 /nfs/dbraw/zinc/80/95/16/1410809516.db2.gz VFHWSERCWBKBIQ-UHFFFAOYSA-N 1 1 398.463 3.066 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1SC ZINC000103069898 1410824820 /nfs/dbraw/zinc/82/48/20/1410824820.db2.gz FONAXLPLFHIGEZ-STQMWFEESA-N 1 1 381.498 3.176 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1SC ZINC000103076339 1410825762 /nfs/dbraw/zinc/82/57/62/1410825762.db2.gz ZGLRRZTUXZSUKT-CYBMUJFWSA-N 1 1 381.498 3.176 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000103145020 1410831888 /nfs/dbraw/zinc/83/18/88/1410831888.db2.gz NVYFLFVYMKFOIL-AWEZNQCLSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000103145020 1410831891 /nfs/dbraw/zinc/83/18/91/1410831891.db2.gz NVYFLFVYMKFOIL-AWEZNQCLSA-N 1 1 387.436 3.379 20 5 GGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458176 1410859666 /nfs/dbraw/zinc/85/96/66/1410859666.db2.gz UXZIVRMVMVIVTB-AEFFLSMTSA-N 1 1 399.495 3.433 20 5 GGBDMO Cc1nn(Cc2ccc(C(=O)NCC[N@H+](C)C3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000104572679 1410901765 /nfs/dbraw/zinc/90/17/65/1410901765.db2.gz NIPFMVAKZXLWAG-UHFFFAOYSA-N 1 1 399.495 3.061 20 5 GGBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000104651372 1410921216 /nfs/dbraw/zinc/92/12/16/1410921216.db2.gz NAOIKWNPABXENV-UHFFFAOYSA-N 1 1 398.419 3.240 20 5 GGBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000104651372 1410921233 /nfs/dbraw/zinc/92/12/33/1410921233.db2.gz NAOIKWNPABXENV-UHFFFAOYSA-N 1 1 398.419 3.240 20 5 GGBDMO NC(=O)CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000104663874 1410923067 /nfs/dbraw/zinc/92/30/67/1410923067.db2.gz YQJFENDEXODICF-UHFFFAOYSA-N 1 1 394.431 3.170 20 5 GGBDMO Cc1nc(C[C@@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)no1 ZINC000104681812 1410926836 /nfs/dbraw/zinc/92/68/36/1410926836.db2.gz LUEVYBUMCNZWNE-HNNXBMFYSA-N 1 1 397.435 3.438 20 5 GGBDMO CCCNC(=O)[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104680177 1410927771 /nfs/dbraw/zinc/92/77/71/1410927771.db2.gz HGSUXRNXBOYIDJ-INIZCTEOSA-N 1 1 386.452 3.031 20 5 GGBDMO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104682125 1410928058 /nfs/dbraw/zinc/92/80/58/1410928058.db2.gz IRVOFPKZLCXKCB-MRXNPFEDSA-N 1 1 386.452 3.029 20 5 GGBDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000105407459 1411063675 /nfs/dbraw/zinc/06/36/75/1411063675.db2.gz GVNATDIDIYJBHP-YPMHNXCESA-N 1 1 378.454 3.436 20 5 GGBDMO C[C@@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000105466097 1411070098 /nfs/dbraw/zinc/07/00/98/1411070098.db2.gz MMFLGMZDWGXBIL-SFHVURJKSA-N 1 1 397.523 3.088 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000105545324 1411083127 /nfs/dbraw/zinc/08/31/27/1411083127.db2.gz GKQVPSNHZYPWPJ-KRWDZBQOSA-N 1 1 382.464 3.130 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000106058312 1411160938 /nfs/dbraw/zinc/16/09/38/1411160938.db2.gz MGIAGDFGKWJGJR-QGZVFWFLSA-N 1 1 377.828 3.046 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000176998101 1428546830 /nfs/dbraw/zinc/54/68/30/1428546830.db2.gz QASMIZLXRKQKPB-GOSISDBHSA-N 1 1 396.491 3.470 20 5 GGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000107619479 1411393822 /nfs/dbraw/zinc/39/38/22/1411393822.db2.gz PQTYZMOOTHQVQX-HNNXBMFYSA-N 1 1 382.464 3.481 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCN(C)c1ccccc1 ZINC000107682023 1411398114 /nfs/dbraw/zinc/39/81/14/1411398114.db2.gz QUQWXUMJVZSITN-UHFFFAOYSA-N 1 1 386.452 3.000 20 5 GGBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000177045763 1428566671 /nfs/dbraw/zinc/56/66/71/1428566671.db2.gz IYEPHLFNNTYDBS-UHFFFAOYSA-N 1 1 382.420 3.460 20 5 GGBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000177045763 1428566681 /nfs/dbraw/zinc/56/66/81/1428566681.db2.gz IYEPHLFNNTYDBS-UHFFFAOYSA-N 1 1 382.420 3.460 20 5 GGBDMO CCOC(=O)c1cc(NCc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000177048778 1428567994 /nfs/dbraw/zinc/56/79/94/1428567994.db2.gz QVXCDHHJSXWEDI-UHFFFAOYSA-N 1 1 399.447 3.216 20 5 GGBDMO CN(C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)C(=O)OC(C)(C)C ZINC000177049465 1428568669 /nfs/dbraw/zinc/56/86/69/1428568669.db2.gz FBBQWOMXIQWMGO-ZDUSSCGKSA-N 1 1 390.440 3.425 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)C(=O)OC(C)(C)C ZINC000177049465 1428568681 /nfs/dbraw/zinc/56/86/81/1428568681.db2.gz FBBQWOMXIQWMGO-ZDUSSCGKSA-N 1 1 390.440 3.425 20 5 GGBDMO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000108392070 1411488597 /nfs/dbraw/zinc/48/85/97/1411488597.db2.gz VZMLVWIJZFPNBC-LSDHHAIUSA-N 1 1 379.457 3.212 20 5 GGBDMO CCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000108392070 1411488607 /nfs/dbraw/zinc/48/86/07/1411488607.db2.gz VZMLVWIJZFPNBC-LSDHHAIUSA-N 1 1 379.457 3.212 20 5 GGBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000108395094 1411489072 /nfs/dbraw/zinc/48/90/72/1411489072.db2.gz BDYOLTZMGBUJTR-BJMVGYQFSA-N 1 1 381.432 3.121 20 5 GGBDMO CC1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)cc2[N+](=O)[O-])CC1 ZINC000108783906 1411609374 /nfs/dbraw/zinc/60/93/74/1411609374.db2.gz HTUHMSXBFRBEEJ-INIZCTEOSA-N 1 1 386.496 3.045 20 5 GGBDMO O=C(c1cc2ccccc2c2cccnc12)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000109110071 1411686046 /nfs/dbraw/zinc/68/60/46/1411686046.db2.gz JFHBXPLBIGMHCU-GOSISDBHSA-N 1 1 375.472 3.325 20 5 GGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000109122924 1411688410 /nfs/dbraw/zinc/68/84/10/1411688410.db2.gz TZQRCTLGRUHQNN-INIZCTEOSA-N 1 1 385.468 3.022 20 5 GGBDMO Cc1ccc([C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[NH+](C)C)cc1 ZINC000109389759 1411753373 /nfs/dbraw/zinc/75/33/73/1411753373.db2.gz XUWLKPBYTSTEFO-GOSISDBHSA-N 1 1 391.493 3.101 20 5 GGBDMO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000109764418 1411808151 /nfs/dbraw/zinc/80/81/51/1411808151.db2.gz PVHKTOCOFIDJIZ-UHFFFAOYSA-N 1 1 379.420 3.289 20 5 GGBDMO Cc1csc(Sc2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])n1 ZINC000109849671 1411814116 /nfs/dbraw/zinc/81/41/16/1411814116.db2.gz BLZDFXRIJQFJKO-GFCCVEGCSA-N 1 1 392.506 3.192 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000177138398 1428599217 /nfs/dbraw/zinc/59/92/17/1428599217.db2.gz WEYCEVKCXXMIHQ-LJQANCHMSA-N 1 1 383.448 3.175 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000177138398 1428599222 /nfs/dbraw/zinc/59/92/22/1428599222.db2.gz WEYCEVKCXXMIHQ-LJQANCHMSA-N 1 1 383.448 3.175 20 5 GGBDMO C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N@@H+](C)Cc1ccccc1 ZINC000110350473 1411845862 /nfs/dbraw/zinc/84/58/62/1411845862.db2.gz OFASVOANDHIWGC-MRXNPFEDSA-N 1 1 393.447 3.031 20 5 GGBDMO Cc1c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110507150 1411853569 /nfs/dbraw/zinc/85/35/69/1411853569.db2.gz MMOGCIWEPSSXJC-CQSZACIVSA-N 1 1 398.419 3.158 20 5 GGBDMO Cc1c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110507150 1411853571 /nfs/dbraw/zinc/85/35/71/1411853571.db2.gz MMOGCIWEPSSXJC-CQSZACIVSA-N 1 1 398.419 3.158 20 5 GGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000110975481 1411880008 /nfs/dbraw/zinc/88/00/08/1411880008.db2.gz LZWWPOMNKQPARH-CQSZACIVSA-N 1 1 393.484 3.242 20 5 GGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000110975483 1411880149 /nfs/dbraw/zinc/88/01/49/1411880149.db2.gz LZWWPOMNKQPARH-AWEZNQCLSA-N 1 1 393.484 3.242 20 5 GGBDMO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000111255895 1411897847 /nfs/dbraw/zinc/89/78/47/1411897847.db2.gz PBQVJAZULQLFNO-UHFFFAOYSA-N 1 1 394.374 3.447 20 5 GGBDMO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000111255895 1411897848 /nfs/dbraw/zinc/89/78/48/1411897848.db2.gz PBQVJAZULQLFNO-UHFFFAOYSA-N 1 1 394.374 3.447 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000111308104 1411907373 /nfs/dbraw/zinc/90/73/73/1411907373.db2.gz CIDROMONQZVEGE-QGZVFWFLSA-N 1 1 382.464 3.048 20 5 GGBDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000111313122 1411914212 /nfs/dbraw/zinc/91/42/12/1411914212.db2.gz CSWQRZHCTSQXKN-YOEHRIQHSA-N 1 1 377.466 3.109 20 5 GGBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)c2C1 ZINC000111598469 1411999421 /nfs/dbraw/zinc/99/94/21/1411999421.db2.gz XYNSRBUVLRJGOT-UHFFFAOYSA-N 1 1 392.415 3.414 20 5 GGBDMO Cc1cc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000111611998 1412001614 /nfs/dbraw/zinc/00/16/14/1412001614.db2.gz JHLBMWMKFMQVNB-CQSZACIVSA-N 1 1 384.436 3.131 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177177715 1428615559 /nfs/dbraw/zinc/61/55/59/1428615559.db2.gz GJJUVGXSOODECT-DOTOQJQBSA-N 1 1 386.496 3.186 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000111995903 1412064945 /nfs/dbraw/zinc/06/49/45/1412064945.db2.gz ZNKHLGQADBWYLA-UHFFFAOYSA-N 1 1 393.465 3.035 20 5 GGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112078332 1412074454 /nfs/dbraw/zinc/07/44/54/1412074454.db2.gz NGUYLWRQHUMMJK-CALCHBBNSA-N 1 1 383.496 3.138 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000112918527 1412240060 /nfs/dbraw/zinc/24/00/60/1412240060.db2.gz ARFGQNYMUKZYOJ-UHFFFAOYSA-N 1 1 376.501 3.367 20 5 GGBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113208372 1412275171 /nfs/dbraw/zinc/27/51/71/1412275171.db2.gz PHGQLGGFLPOMBV-UHFFFAOYSA-N 1 1 393.447 3.208 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+](C)CCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000113266189 1412285964 /nfs/dbraw/zinc/28/59/64/1412285964.db2.gz GMJDBLOYVREWFX-UHFFFAOYSA-N 1 1 377.828 3.370 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+](C)CCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000113266189 1412285973 /nfs/dbraw/zinc/28/59/73/1412285973.db2.gz GMJDBLOYVREWFX-UHFFFAOYSA-N 1 1 377.828 3.370 20 5 GGBDMO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000113310685 1412291487 /nfs/dbraw/zinc/29/14/87/1412291487.db2.gz WSCCXAQFWHECME-HNNXBMFYSA-N 1 1 391.416 3.164 20 5 GGBDMO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000113310684 1412291729 /nfs/dbraw/zinc/29/17/29/1412291729.db2.gz WSCCXAQFWHECME-OAHLLOKOSA-N 1 1 391.416 3.164 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(CNCCCC[N@H+]3CCC[C@@H]3CO)cs2)c1 ZINC000113340790 1412294805 /nfs/dbraw/zinc/29/48/05/1412294805.db2.gz ITBLFMQRXPLXPS-GOSISDBHSA-N 1 1 390.509 3.045 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(CNCCCC[N@@H+]3CCC[C@@H]3CO)cs2)c1 ZINC000113340790 1412294810 /nfs/dbraw/zinc/29/48/10/1412294810.db2.gz ITBLFMQRXPLXPS-GOSISDBHSA-N 1 1 390.509 3.045 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(CNCCCC[N@H+]3CCC[C@H]3CO)cs2)c1 ZINC000113340794 1412295063 /nfs/dbraw/zinc/29/50/63/1412295063.db2.gz ITBLFMQRXPLXPS-SFHVURJKSA-N 1 1 390.509 3.045 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(CNCCCC[N@@H+]3CCC[C@H]3CO)cs2)c1 ZINC000113340794 1412295070 /nfs/dbraw/zinc/29/50/70/1412295070.db2.gz ITBLFMQRXPLXPS-SFHVURJKSA-N 1 1 390.509 3.045 20 5 GGBDMO COc1ccc(-c2ccc(C[NH2+]CCS(=O)(=O)C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000113344729 1412295452 /nfs/dbraw/zinc/29/54/52/1412295452.db2.gz OBXCTHRNPVGNHS-UHFFFAOYSA-N 1 1 396.465 3.166 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000113900821 1412348129 /nfs/dbraw/zinc/34/81/29/1412348129.db2.gz UIZWDDFRFLSUHL-CVEARBPZSA-N 1 1 375.469 3.330 20 5 GGBDMO O=[N+]([O-])c1nn(C[N@H+](CCc2cccc(F)c2)C2CC2)cc1Br ZINC000113923889 1412353055 /nfs/dbraw/zinc/35/30/55/1412353055.db2.gz ILOFDGDRFSTUGB-UHFFFAOYSA-N 1 1 383.221 3.358 20 5 GGBDMO O=[N+]([O-])c1nn(C[N@@H+](CCc2cccc(F)c2)C2CC2)cc1Br ZINC000113923889 1412353059 /nfs/dbraw/zinc/35/30/59/1412353059.db2.gz ILOFDGDRFSTUGB-UHFFFAOYSA-N 1 1 383.221 3.358 20 5 GGBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113945028 1412357295 /nfs/dbraw/zinc/35/72/95/1412357295.db2.gz VPTKTKOMNIFOQA-DOTOQJQBSA-N 1 1 395.525 3.178 20 5 GGBDMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000113945213 1412357312 /nfs/dbraw/zinc/35/73/12/1412357312.db2.gz VPGBXAJKINVUGO-IRXDYDNUSA-N 1 1 395.525 3.178 20 5 GGBDMO O=C(C[N@@H+](CCO)[C@@H]1CCc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000114192622 1412391558 /nfs/dbraw/zinc/39/15/58/1412391558.db2.gz KDOJDGZBMMRUOA-QGZVFWFLSA-N 1 1 389.839 3.169 20 5 GGBDMO O=C(C[N@H+](CCO)[C@@H]1CCc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000114192622 1412391562 /nfs/dbraw/zinc/39/15/62/1412391562.db2.gz KDOJDGZBMMRUOA-QGZVFWFLSA-N 1 1 389.839 3.169 20 5 GGBDMO O=C(C[N@@H+](CCO)[C@H]1CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114192308 1412391596 /nfs/dbraw/zinc/39/15/96/1412391596.db2.gz NLDBIKDIVAVIJJ-SFHVURJKSA-N 1 1 389.839 3.169 20 5 GGBDMO O=C(C[N@H+](CCO)[C@H]1CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114192308 1412391599 /nfs/dbraw/zinc/39/15/99/1412391599.db2.gz NLDBIKDIVAVIJJ-SFHVURJKSA-N 1 1 389.839 3.169 20 5 GGBDMO O=C(C[N@@H+](CCO)[C@H]1CCc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000114191978 1412391669 /nfs/dbraw/zinc/39/16/69/1412391669.db2.gz PCTFAIGPHVZVAW-KRWDZBQOSA-N 1 1 389.839 3.169 20 5 GGBDMO O=C(C[N@H+](CCO)[C@H]1CCc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000114191978 1412391672 /nfs/dbraw/zinc/39/16/72/1412391672.db2.gz PCTFAIGPHVZVAW-KRWDZBQOSA-N 1 1 389.839 3.169 20 5 GGBDMO O=C(C[N@@H+](CCO)[C@@H]1CCc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000114191980 1412391920 /nfs/dbraw/zinc/39/19/20/1412391920.db2.gz PCTFAIGPHVZVAW-QGZVFWFLSA-N 1 1 389.839 3.169 20 5 GGBDMO O=C(C[N@H+](CCO)[C@@H]1CCc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000114191980 1412391927 /nfs/dbraw/zinc/39/19/27/1412391927.db2.gz PCTFAIGPHVZVAW-QGZVFWFLSA-N 1 1 389.839 3.169 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000114192416 1412392154 /nfs/dbraw/zinc/39/21/54/1412392154.db2.gz LNUHECHRYBOUST-HXUWFJFHSA-N 1 1 383.448 3.214 20 5 GGBDMO O=C(C[N@@H+](CCO)[C@@H]1CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114192309 1412392201 /nfs/dbraw/zinc/39/22/01/1412392201.db2.gz NLDBIKDIVAVIJJ-GOSISDBHSA-N 1 1 389.839 3.169 20 5 GGBDMO O=C(C[N@H+](CCO)[C@@H]1CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114192309 1412392205 /nfs/dbraw/zinc/39/22/05/1412392205.db2.gz NLDBIKDIVAVIJJ-GOSISDBHSA-N 1 1 389.839 3.169 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000114468872 1412439741 /nfs/dbraw/zinc/43/97/41/1412439741.db2.gz ZOGMFOPDAKKDRV-FQEVSTJZSA-N 1 1 383.448 3.214 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c2c(c1)COCO2 ZINC000114468637 1412440089 /nfs/dbraw/zinc/44/00/89/1412440089.db2.gz JGFZICVBBPSPKZ-HXUWFJFHSA-N 1 1 384.432 3.333 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000114475733 1412440681 /nfs/dbraw/zinc/44/06/81/1412440681.db2.gz GOQOXRZHSOLWHV-FQEVSTJZSA-N 1 1 388.512 3.144 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000114469791 1412441174 /nfs/dbraw/zinc/44/11/74/1412441174.db2.gz SITKWIIIMBNTKW-FQEVSTJZSA-N 1 1 383.448 3.214 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000114475877 1412441806 /nfs/dbraw/zinc/44/18/06/1412441806.db2.gz LHSUJVKTAPJCCX-UHFFFAOYSA-N 1 1 376.501 3.286 20 5 GGBDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000114501279 1412447360 /nfs/dbraw/zinc/44/73/60/1412447360.db2.gz NZYWSEGBMFPFSQ-NEPJUHHUSA-N 1 1 391.399 3.429 20 5 GGBDMO COc1cc(F)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000114501281 1412447474 /nfs/dbraw/zinc/44/74/74/1412447474.db2.gz NZYWSEGBMFPFSQ-NWDGAFQWSA-N 1 1 391.399 3.429 20 5 GGBDMO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000114501282 1412447621 /nfs/dbraw/zinc/44/76/21/1412447621.db2.gz NZYWSEGBMFPFSQ-VXGBXAGGSA-N 1 1 391.399 3.429 20 5 GGBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000114644497 1412485127 /nfs/dbraw/zinc/48/51/27/1412485127.db2.gz FQOAUZVRPPSTFM-INIZCTEOSA-N 1 1 399.447 3.006 20 5 GGBDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC000114724646 1412511537 /nfs/dbraw/zinc/51/15/37/1412511537.db2.gz DJEZVJDXDWJFND-MRXNPFEDSA-N 1 1 385.420 3.048 20 5 GGBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC000114724646 1412511546 /nfs/dbraw/zinc/51/15/46/1412511546.db2.gz DJEZVJDXDWJFND-MRXNPFEDSA-N 1 1 385.420 3.048 20 5 GGBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC000114724644 1412512097 /nfs/dbraw/zinc/51/20/97/1412512097.db2.gz DJEZVJDXDWJFND-INIZCTEOSA-N 1 1 385.420 3.048 20 5 GGBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC000114724644 1412512105 /nfs/dbraw/zinc/51/21/05/1412512105.db2.gz DJEZVJDXDWJFND-INIZCTEOSA-N 1 1 385.420 3.048 20 5 GGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000115057040 1412580182 /nfs/dbraw/zinc/58/01/82/1412580182.db2.gz YQIVZCWUZKTTEB-INIZCTEOSA-N 1 1 375.450 3.233 20 5 GGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000115057039 1412580358 /nfs/dbraw/zinc/58/03/58/1412580358.db2.gz YQIVZCWUZKTTEB-MRXNPFEDSA-N 1 1 375.450 3.233 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)C1 ZINC000115521271 1412700146 /nfs/dbraw/zinc/70/01/46/1412700146.db2.gz DFDYMZWKXZKTTM-ZBFHGGJFSA-N 1 1 390.484 3.028 20 5 GGBDMO O=C(CCc1ccccc1)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177288752 1428673063 /nfs/dbraw/zinc/67/30/63/1428673063.db2.gz ALXRWOPAIUWTLT-UHFFFAOYSA-N 1 1 397.475 3.141 20 5 GGBDMO O=C(CCc1ccccc1)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000177289577 1428673585 /nfs/dbraw/zinc/67/35/85/1428673585.db2.gz NBXSJOJBLSAEMS-UHFFFAOYSA-N 1 1 397.475 3.141 20 5 GGBDMO O=C(CCc1ccccc1)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177283853 1428670199 /nfs/dbraw/zinc/67/01/99/1428670199.db2.gz XQESJWVTRUDBNC-UHFFFAOYSA-N 1 1 381.476 3.304 20 5 GGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000116287284 1412847668 /nfs/dbraw/zinc/84/76/68/1412847668.db2.gz MNNZSZDGTMHZDU-FQEVSTJZSA-N 1 1 395.507 3.024 20 5 GGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000116287284 1412847671 /nfs/dbraw/zinc/84/76/71/1412847671.db2.gz MNNZSZDGTMHZDU-FQEVSTJZSA-N 1 1 395.507 3.024 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000116619279 1412887615 /nfs/dbraw/zinc/88/76/15/1412887615.db2.gz ZDNIGAFBRKOZDH-CQSZACIVSA-N 1 1 381.816 3.029 20 5 GGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116738715 1412911892 /nfs/dbraw/zinc/91/18/92/1412911892.db2.gz VJZAIOJMMJBVHH-AWEZNQCLSA-N 1 1 383.876 3.254 20 5 GGBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000116754564 1412915962 /nfs/dbraw/zinc/91/59/62/1412915962.db2.gz RPEVBQNAZDDQAA-CQSZACIVSA-N 1 1 381.860 3.150 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000177320527 1428687408 /nfs/dbraw/zinc/68/74/08/1428687408.db2.gz QHIZDZYBFFFJFK-KGLIPLIRSA-N 1 1 385.411 3.263 20 5 GGBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCOc1ccccc1F ZINC000117334263 1413026837 /nfs/dbraw/zinc/02/68/37/1413026837.db2.gz OYQCNGLTAKZKPN-UHFFFAOYSA-N 1 1 389.383 3.043 20 5 GGBDMO C[N@@H+](CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000117582896 1413054236 /nfs/dbraw/zinc/05/42/36/1413054236.db2.gz YNIXXHPSPJOYFY-UHFFFAOYSA-N 1 1 375.856 3.429 20 5 GGBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000117660872 1413062115 /nfs/dbraw/zinc/06/21/15/1413062115.db2.gz XRTTXXVEXMPGSK-AWEZNQCLSA-N 1 1 375.856 3.427 20 5 GGBDMO CCC(CC)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000117754045 1413076065 /nfs/dbraw/zinc/07/60/65/1413076065.db2.gz UEQZGOASQZTVHX-GOSISDBHSA-N 1 1 397.903 3.044 20 5 GGBDMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000117864628 1413084730 /nfs/dbraw/zinc/08/47/30/1413084730.db2.gz SJPGASBAJSOIFQ-KRWDZBQOSA-N 1 1 382.420 3.363 20 5 GGBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000117864628 1413084742 /nfs/dbraw/zinc/08/47/42/1413084742.db2.gz SJPGASBAJSOIFQ-KRWDZBQOSA-N 1 1 382.420 3.363 20 5 GGBDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000117892851 1413087980 /nfs/dbraw/zinc/08/79/80/1413087980.db2.gz FAIROTNLPBYFBX-LJQANCHMSA-N 1 1 399.447 3.394 20 5 GGBDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000117892851 1413087990 /nfs/dbraw/zinc/08/79/90/1413087990.db2.gz FAIROTNLPBYFBX-LJQANCHMSA-N 1 1 399.447 3.394 20 5 GGBDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000118859514 1413249412 /nfs/dbraw/zinc/24/94/12/1413249412.db2.gz HUQUFMDIHYZSFU-HNNXBMFYSA-N 1 1 397.439 3.197 20 5 GGBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000118859514 1413249421 /nfs/dbraw/zinc/24/94/21/1413249421.db2.gz HUQUFMDIHYZSFU-HNNXBMFYSA-N 1 1 397.439 3.197 20 5 GGBDMO O=C(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1Cl ZINC000118866459 1413253085 /nfs/dbraw/zinc/25/30/85/1413253085.db2.gz ROTYVRBTEWRZRV-CYBMUJFWSA-N 1 1 389.843 3.158 20 5 GGBDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867149 1413253829 /nfs/dbraw/zinc/25/38/29/1413253829.db2.gz SBLYYAKTNUXFAR-DOMZBBRYSA-N 1 1 389.843 3.157 20 5 GGBDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867149 1413253836 /nfs/dbraw/zinc/25/38/36/1413253836.db2.gz SBLYYAKTNUXFAR-DOMZBBRYSA-N 1 1 389.843 3.157 20 5 GGBDMO COc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000119437312 1413446622 /nfs/dbraw/zinc/44/66/22/1413446622.db2.gz OZOCKYVGYPJJQH-HNNXBMFYSA-N 1 1 387.436 3.250 20 5 GGBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000119437312 1413446625 /nfs/dbraw/zinc/44/66/25/1413446625.db2.gz OZOCKYVGYPJJQH-HNNXBMFYSA-N 1 1 387.436 3.250 20 5 GGBDMO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000119573942 1413489976 /nfs/dbraw/zinc/48/99/76/1413489976.db2.gz UWQOBDLCMGKCNZ-MRXNPFEDSA-N 1 1 382.464 3.183 20 5 GGBDMO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000119680543 1413529582 /nfs/dbraw/zinc/52/95/82/1413529582.db2.gz PDVFEADNTYSAEX-LBPRGKRZSA-N 1 1 397.884 3.349 20 5 GGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000119719057 1413544401 /nfs/dbraw/zinc/54/44/01/1413544401.db2.gz ZHQCPJPCKODTBF-CQSZACIVSA-N 1 1 383.876 3.111 20 5 GGBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000119756879 1413557197 /nfs/dbraw/zinc/55/71/97/1413557197.db2.gz DHVSZKJZDCXBCJ-GFCCVEGCSA-N 1 1 392.374 3.403 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000119769916 1413562941 /nfs/dbraw/zinc/56/29/41/1413562941.db2.gz QXWVCYAVESSIER-KGLIPLIRSA-N 1 1 383.876 3.110 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000119851179 1413592919 /nfs/dbraw/zinc/59/29/19/1413592919.db2.gz HLJGSNOLIDMAGY-BEFAXECRSA-N 1 1 390.443 3.393 20 5 GGBDMO Cn1cc(CN2CC[NH+](Cc3cccs3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119886147 1413605199 /nfs/dbraw/zinc/60/51/99/1413605199.db2.gz NWTIZVADNUJEBB-UHFFFAOYSA-N 1 1 397.504 3.375 20 5 GGBDMO Cc1ccc(Sc2ccc(C[NH2+][C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000119890268 1413606545 /nfs/dbraw/zinc/60/65/45/1413606545.db2.gz YYMFNAWJNSNLIG-OAHLLOKOSA-N 1 1 392.502 3.331 20 5 GGBDMO CC[N@H+](CCO)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000119928392 1413620553 /nfs/dbraw/zinc/62/05/53/1413620553.db2.gz ZZUOQMYKDOMVFJ-QGZVFWFLSA-N 1 1 377.828 3.242 20 5 GGBDMO CC[N@@H+](CCO)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000119928392 1413620559 /nfs/dbraw/zinc/62/05/59/1413620559.db2.gz ZZUOQMYKDOMVFJ-QGZVFWFLSA-N 1 1 377.828 3.242 20 5 GGBDMO CCC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@H+]1CCOC ZINC000119937044 1413623961 /nfs/dbraw/zinc/62/39/61/1413623961.db2.gz DXJGDIKGTHGMCH-MRXNPFEDSA-N 1 1 378.473 3.176 20 5 GGBDMO CCN1CC[NH+](Cc2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000119944334 1413627353 /nfs/dbraw/zinc/62/73/53/1413627353.db2.gz YBRPCZOAAAILLT-UHFFFAOYSA-N 1 1 396.491 3.304 20 5 GGBDMO Cc1ccc(NCCCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[nH+]c1 ZINC000119964974 1413634639 /nfs/dbraw/zinc/63/46/39/1413634639.db2.gz HVYPPWBUQJZUQJ-UHFFFAOYSA-N 1 1 392.843 3.339 20 5 GGBDMO O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cs1 ZINC000120021873 1413656361 /nfs/dbraw/zinc/65/63/61/1413656361.db2.gz PPKSPLHZLOFSNI-UHFFFAOYSA-N 1 1 381.479 3.095 20 5 GGBDMO CC1CC[NH+](C[C@@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000120206959 1413730437 /nfs/dbraw/zinc/73/04/37/1413730437.db2.gz FDPCKPIXJJQSLE-GOSISDBHSA-N 1 1 388.512 3.367 20 5 GGBDMO CN(C)c1cccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000120298338 1413773546 /nfs/dbraw/zinc/77/35/46/1413773546.db2.gz MHOJSPINPQHWAM-UHFFFAOYSA-N 1 1 376.844 3.385 20 5 GGBDMO CN(C)c1cccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000120298338 1413773554 /nfs/dbraw/zinc/77/35/54/1413773554.db2.gz MHOJSPINPQHWAM-UHFFFAOYSA-N 1 1 376.844 3.385 20 5 GGBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000177473358 1428756242 /nfs/dbraw/zinc/75/62/42/1428756242.db2.gz KRTXCRQRMSJVGV-WBVHZDCISA-N 1 1 382.464 3.268 20 5 GGBDMO O=S1(=O)CC[C@H](N2CC[NH+](Cc3c4ccccc4cc4ccccc43)CC2)C1 ZINC000120414555 1413812664 /nfs/dbraw/zinc/81/26/64/1413812664.db2.gz UEGNKVNOLUMVFH-FQEVSTJZSA-N 1 1 394.540 3.298 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120419323 1413813607 /nfs/dbraw/zinc/81/36/07/1413813607.db2.gz KENPVHVYPQAQBX-UTKZUKDTSA-N 1 1 396.491 3.347 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000177475864 1428758284 /nfs/dbraw/zinc/75/82/84/1428758284.db2.gz MHKXQAQDILHDJO-AEFFLSMTSA-N 1 1 382.464 3.176 20 5 GGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120556612 1413842820 /nfs/dbraw/zinc/84/28/20/1413842820.db2.gz ZKFVEBYDHUYOCK-UHFFFAOYSA-N 1 1 394.475 3.327 20 5 GGBDMO COc1ccc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000177479104 1428760232 /nfs/dbraw/zinc/76/02/32/1428760232.db2.gz ZMAHKDXFAQXPRU-IRXDYDNUSA-N 1 1 391.512 3.315 20 5 GGBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000121058406 1413991588 /nfs/dbraw/zinc/99/15/88/1413991588.db2.gz GOIVSTKAFKTSFY-ICSRJNTNSA-N 1 1 381.432 3.117 20 5 GGBDMO CC(C)[C@H](CO)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000121085674 1414002311 /nfs/dbraw/zinc/00/23/11/1414002311.db2.gz GUCOQXQCGNUSNG-NRFANRHFSA-N 1 1 397.475 3.003 20 5 GGBDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000121125897 1414016798 /nfs/dbraw/zinc/01/67/98/1414016798.db2.gz WOJKFIFWTUOHQM-HXUWFJFHSA-N 1 1 386.448 3.480 20 5 GGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121141271 1414022250 /nfs/dbraw/zinc/02/22/50/1414022250.db2.gz WEKLAIOVGFCWDT-GOEBONIOSA-N 1 1 387.484 3.227 20 5 GGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121167711 1414031614 /nfs/dbraw/zinc/03/16/14/1414031614.db2.gz RYBKXFAMVLFUBL-UHFFFAOYSA-N 1 1 395.463 3.434 20 5 GGBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121167711 1414031616 /nfs/dbraw/zinc/03/16/16/1414031616.db2.gz RYBKXFAMVLFUBL-UHFFFAOYSA-N 1 1 395.463 3.434 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000121176010 1414033792 /nfs/dbraw/zinc/03/37/92/1414033792.db2.gz LCERUYYOYFZQSO-INIZCTEOSA-N 1 1 393.447 3.351 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+](CCc2ccccc2)CC1 ZINC000121232889 1414052155 /nfs/dbraw/zinc/05/21/55/1414052155.db2.gz DEYLKQSLGINDTD-UHFFFAOYSA-N 1 1 390.443 3.144 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121327394 1414084426 /nfs/dbraw/zinc/08/44/26/1414084426.db2.gz OTRQYMMFUMGISX-OAHLLOKOSA-N 1 1 387.411 3.246 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121327394 1414084438 /nfs/dbraw/zinc/08/44/38/1414084438.db2.gz OTRQYMMFUMGISX-OAHLLOKOSA-N 1 1 387.411 3.246 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)nc1 ZINC000121332696 1414085749 /nfs/dbraw/zinc/08/57/49/1414085749.db2.gz SCYXPPOBODYQQZ-XLIONFOSSA-N 1 1 398.463 3.234 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121361702 1414095046 /nfs/dbraw/zinc/09/50/46/1414095046.db2.gz WJIGJLVHZSYTIM-NRFANRHFSA-N 1 1 399.447 3.180 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121361702 1414095053 /nfs/dbraw/zinc/09/50/53/1414095053.db2.gz WJIGJLVHZSYTIM-NRFANRHFSA-N 1 1 399.447 3.180 20 5 GGBDMO COc1ccc(C[C@@H](C)C[N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000121458883 1414133289 /nfs/dbraw/zinc/13/32/89/1414133289.db2.gz HHUYIIJWFHDNBM-CQSZACIVSA-N 1 1 385.420 3.279 20 5 GGBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000121458883 1414133293 /nfs/dbraw/zinc/13/32/93/1414133293.db2.gz HHUYIIJWFHDNBM-CQSZACIVSA-N 1 1 385.420 3.279 20 5 GGBDMO COc1ccc(C[C@H](C)C[N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000121458724 1414133428 /nfs/dbraw/zinc/13/34/28/1414133428.db2.gz HHUYIIJWFHDNBM-AWEZNQCLSA-N 1 1 385.420 3.279 20 5 GGBDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000121458724 1414133435 /nfs/dbraw/zinc/13/34/35/1414133435.db2.gz HHUYIIJWFHDNBM-AWEZNQCLSA-N 1 1 385.420 3.279 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000177532843 1428784316 /nfs/dbraw/zinc/78/43/16/1428784316.db2.gz KURCYJMWYBQYQJ-GFCCVEGCSA-N 1 1 386.399 3.392 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121574572 1414183999 /nfs/dbraw/zinc/18/39/99/1414183999.db2.gz GVLOAEJMCIKYPA-NRFANRHFSA-N 1 1 399.447 3.180 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121574572 1414184007 /nfs/dbraw/zinc/18/40/07/1414184007.db2.gz GVLOAEJMCIKYPA-NRFANRHFSA-N 1 1 399.447 3.180 20 5 GGBDMO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177549722 1428789761 /nfs/dbraw/zinc/78/97/61/1428789761.db2.gz GRWZPUOPPLIGOY-ZFWWWQNUSA-N 1 1 383.404 3.140 20 5 GGBDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177549722 1428789763 /nfs/dbraw/zinc/78/97/63/1428789763.db2.gz GRWZPUOPPLIGOY-ZFWWWQNUSA-N 1 1 383.404 3.140 20 5 GGBDMO CN1CCO[C@H]([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000121854013 1414279079 /nfs/dbraw/zinc/27/90/79/1414279079.db2.gz JARNHHOJPKQMRK-RBUKOAKNSA-N 1 1 375.856 3.410 20 5 GGBDMO O=C(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000121875695 1414286735 /nfs/dbraw/zinc/28/67/35/1414286735.db2.gz FBXPRABGBVPGKR-YJBOKZPZSA-N 1 1 387.436 3.495 20 5 GGBDMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000121875695 1414286741 /nfs/dbraw/zinc/28/67/41/1414286741.db2.gz FBXPRABGBVPGKR-YJBOKZPZSA-N 1 1 387.436 3.495 20 5 GGBDMO C[C@]1(c2ccccc2)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000122002424 1414336576 /nfs/dbraw/zinc/33/65/76/1414336576.db2.gz NSWLGFVGOVFVNI-OAQYLSRUSA-N 1 1 397.431 3.140 20 5 GGBDMO C[C@]1(c2ccccc2)C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000122002424 1414336582 /nfs/dbraw/zinc/33/65/82/1414336582.db2.gz NSWLGFVGOVFVNI-OAQYLSRUSA-N 1 1 397.431 3.140 20 5 GGBDMO CC(C)(C)OC(=O)NCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177574511 1428800215 /nfs/dbraw/zinc/80/02/15/1428800215.db2.gz QTUNIFOYUCBXGL-UHFFFAOYSA-N 1 1 378.454 3.333 20 5 GGBDMO CCC[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1CCOC ZINC000122034910 1414344810 /nfs/dbraw/zinc/34/48/10/1414344810.db2.gz UDPPPORRRJIHBC-IBGZPJMESA-N 1 1 388.468 3.183 20 5 GGBDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000122075622 1414356494 /nfs/dbraw/zinc/35/64/94/1414356494.db2.gz BYYGHRIKRNRLRX-HIFRSBDPSA-N 1 1 379.482 3.355 20 5 GGBDMO C[N@@H+](CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)Cc1ccccc1 ZINC000122266890 1414406037 /nfs/dbraw/zinc/40/60/37/1414406037.db2.gz QFAWNXQWRAOGIA-UHFFFAOYSA-N 1 1 393.447 3.032 20 5 GGBDMO CCOc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OCC ZINC000122277349 1414408946 /nfs/dbraw/zinc/40/89/46/1414408946.db2.gz ULPZHJXVKXREDF-MRXNPFEDSA-N 1 1 386.452 3.474 20 5 GGBDMO COc1ccc(OCC[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])c1 ZINC000122337722 1414427797 /nfs/dbraw/zinc/42/77/97/1414427797.db2.gz MHGJMUXGYFHLBP-HNNXBMFYSA-N 1 1 389.456 3.034 20 5 GGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122497974 1414482320 /nfs/dbraw/zinc/48/23/20/1414482320.db2.gz PUXXEHVASVGTIV-IYBDPMFKSA-N 1 1 380.920 3.239 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000123032987 1414623794 /nfs/dbraw/zinc/62/37/94/1414623794.db2.gz PNFLNITURUPFCX-KRWDZBQOSA-N 1 1 398.463 3.290 20 5 GGBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000177683275 1428832939 /nfs/dbraw/zinc/83/29/39/1428832939.db2.gz AVDXOSTWUWKMMB-UHFFFAOYSA-N 1 1 376.800 3.001 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000177684418 1428833456 /nfs/dbraw/zinc/83/34/56/1428833456.db2.gz ZHLZTCJYOUTYQV-UHFFFAOYSA-N 1 1 375.469 3.218 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000123623392 1414798772 /nfs/dbraw/zinc/79/87/72/1414798772.db2.gz XZLZNEARUORUGE-IAGOWNOFSA-N 1 1 393.509 3.218 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)n2)cc1 ZINC000123654155 1414804288 /nfs/dbraw/zinc/80/42/88/1414804288.db2.gz MZEAATCVDRRUFV-CVEARBPZSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)n2)cc1 ZINC000123654155 1414804292 /nfs/dbraw/zinc/80/42/92/1414804292.db2.gz MZEAATCVDRRUFV-CVEARBPZSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)o2)cc1 ZINC000123662786 1414805533 /nfs/dbraw/zinc/80/55/33/1414805533.db2.gz JTRTYWHADSAYAF-CVEARBPZSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)o2)cc1 ZINC000123662786 1414805540 /nfs/dbraw/zinc/80/55/40/1414805540.db2.gz JTRTYWHADSAYAF-CVEARBPZSA-N 1 1 390.465 3.131 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000123746629 1414819417 /nfs/dbraw/zinc/81/94/17/1414819417.db2.gz RDMCBQICZIVIST-GOSISDBHSA-N 1 1 382.464 3.425 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000123749793 1414819796 /nfs/dbraw/zinc/81/97/96/1414819796.db2.gz UBKFBUYWIVHRAX-IBGZPJMESA-N 1 1 382.464 3.045 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)cc2)C[C@H](C)O1 ZINC000124088475 1414883085 /nfs/dbraw/zinc/88/30/85/1414883085.db2.gz OSMGUYOYNGSAKQ-HOTGVXAUSA-N 1 1 395.459 3.407 20 5 GGBDMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000124232513 1414915208 /nfs/dbraw/zinc/91/52/08/1414915208.db2.gz ITLRERBHOSHBIN-HNNXBMFYSA-N 1 1 392.456 3.218 20 5 GGBDMO Cc1c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000124232680 1414915380 /nfs/dbraw/zinc/91/53/80/1414915380.db2.gz ITLRERBHOSHBIN-OAHLLOKOSA-N 1 1 392.456 3.218 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124299463 1414932892 /nfs/dbraw/zinc/93/28/92/1414932892.db2.gz UGFUSULSPFAFEM-QGZVFWFLSA-N 1 1 383.448 3.497 20 5 GGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000124330914 1414941378 /nfs/dbraw/zinc/94/13/78/1414941378.db2.gz PKRBUEWVWHGJIG-ZDUSSCGKSA-N 1 1 389.905 3.052 20 5 GGBDMO O=C(C[NH+]1CCC(c2ccccc2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000124562412 1414994697 /nfs/dbraw/zinc/99/46/97/1414994697.db2.gz AHRBTIPMFPLRGC-UHFFFAOYSA-N 1 1 383.404 3.142 20 5 GGBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124616914 1415006632 /nfs/dbraw/zinc/00/66/32/1415006632.db2.gz GULKJUNFBHMWDY-UXHICEINSA-N 1 1 388.512 3.004 20 5 GGBDMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000124780077 1415042422 /nfs/dbraw/zinc/04/24/22/1415042422.db2.gz WTUSQFBPMUBIGO-UHFFFAOYSA-N 1 1 384.358 3.136 20 5 GGBDMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000124780077 1415042426 /nfs/dbraw/zinc/04/24/26/1415042426.db2.gz WTUSQFBPMUBIGO-UHFFFAOYSA-N 1 1 384.358 3.136 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177799113 1428860708 /nfs/dbraw/zinc/86/07/08/1428860708.db2.gz BYDAFJVQBFDZSY-CABCVRRESA-N 1 1 381.860 3.102 20 5 GGBDMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124805734 1415048253 /nfs/dbraw/zinc/04/82/53/1415048253.db2.gz MWHXJCPOAJYSOE-HOTGVXAUSA-N 1 1 394.541 3.066 20 5 GGBDMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124805492 1415048300 /nfs/dbraw/zinc/04/83/00/1415048300.db2.gz MWHXJCPOAJYSOE-CVEARBPZSA-N 1 1 394.541 3.066 20 5 GGBDMO C[N@@H+](CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccccc1 ZINC000124921789 1415073600 /nfs/dbraw/zinc/07/36/00/1415073600.db2.gz JOGBTBISGBRAEN-UHFFFAOYSA-N 1 1 380.448 3.257 20 5 GGBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000125036835 1415096710 /nfs/dbraw/zinc/09/67/10/1415096710.db2.gz VHGQFCBGERLHMG-KRWDZBQOSA-N 1 1 382.464 3.321 20 5 GGBDMO CC[N@@H+]1CCc2nc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)sc2C1 ZINC000125043635 1415098545 /nfs/dbraw/zinc/09/85/45/1415098545.db2.gz GPHYNWNZICWSFQ-UHFFFAOYSA-N 1 1 385.449 3.092 20 5 GGBDMO CC[N@H+]1CCc2nc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)sc2C1 ZINC000125043635 1415098551 /nfs/dbraw/zinc/09/85/51/1415098551.db2.gz GPHYNWNZICWSFQ-UHFFFAOYSA-N 1 1 385.449 3.092 20 5 GGBDMO CCC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000177826955 1428866177 /nfs/dbraw/zinc/86/61/77/1428866177.db2.gz WVPKCCWSICSQIN-FQEVSTJZSA-N 1 1 383.496 3.373 20 5 GGBDMO COC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000125187391 1415126498 /nfs/dbraw/zinc/12/64/98/1415126498.db2.gz ADNZTHFADIQSFD-UHFFFAOYSA-N 1 1 385.420 3.150 20 5 GGBDMO COc1ccc(CCC[N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000125269533 1415148174 /nfs/dbraw/zinc/14/81/74/1415148174.db2.gz JVGXCQHHSAYTCB-UHFFFAOYSA-N 1 1 381.436 3.384 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000177822662 1428865201 /nfs/dbraw/zinc/86/52/01/1428865201.db2.gz DMFKDNICWXOKPQ-OLZOCXBDSA-N 1 1 379.482 3.024 20 5 GGBDMO CN(C(=O)C[NH+]1CCC(OC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000125508035 1415216832 /nfs/dbraw/zinc/21/68/32/1415216832.db2.gz UYYIKYANHKZIGA-UHFFFAOYSA-N 1 1 375.469 3.371 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000177842615 1428870373 /nfs/dbraw/zinc/87/03/73/1428870373.db2.gz WNADIIGQMNBXNK-XLIONFOSSA-N 1 1 397.475 3.372 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000177842615 1428870375 /nfs/dbraw/zinc/87/03/75/1428870375.db2.gz WNADIIGQMNBXNK-XLIONFOSSA-N 1 1 397.475 3.372 20 5 GGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000125636847 1415243034 /nfs/dbraw/zinc/24/30/34/1415243034.db2.gz YOGHVJPHFJIXBJ-HWKANZROSA-N 1 1 381.461 3.435 20 5 GGBDMO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000125825772 1415291212 /nfs/dbraw/zinc/29/12/12/1415291212.db2.gz JIWYXXBILBNLQX-OAHLLOKOSA-N 1 1 380.880 3.443 20 5 GGBDMO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000125825772 1415291221 /nfs/dbraw/zinc/29/12/21/1415291221.db2.gz JIWYXXBILBNLQX-OAHLLOKOSA-N 1 1 380.880 3.443 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCc3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000126005311 1415334545 /nfs/dbraw/zinc/33/45/45/1415334545.db2.gz SRYVKIQFYWSEDY-IAGOWNOFSA-N 1 1 397.475 3.177 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000126230309 1415389382 /nfs/dbraw/zinc/38/93/82/1415389382.db2.gz RARWSAKWIJRTCD-HXUWFJFHSA-N 1 1 399.447 3.314 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000126230309 1415389388 /nfs/dbraw/zinc/38/93/88/1415389388.db2.gz RARWSAKWIJRTCD-HXUWFJFHSA-N 1 1 399.447 3.314 20 5 GGBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000126238545 1415391373 /nfs/dbraw/zinc/39/13/73/1415391373.db2.gz YOUCAAQONDFFDN-INIZCTEOSA-N 1 1 399.495 3.181 20 5 GGBDMO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126480061 1415465993 /nfs/dbraw/zinc/46/59/93/1415465993.db2.gz JCEXCKPYOWVYHJ-OXQOHEQNSA-N 1 1 398.507 3.284 20 5 GGBDMO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126480722 1415466028 /nfs/dbraw/zinc/46/60/28/1415466028.db2.gz JCEXCKPYOWVYHJ-JXFKEZNVSA-N 1 1 398.507 3.284 20 5 GGBDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000126668567 1415522214 /nfs/dbraw/zinc/52/22/14/1415522214.db2.gz PZSOLXJGLFERBM-UHFFFAOYSA-N 1 1 389.839 3.375 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000126675359 1415523876 /nfs/dbraw/zinc/52/38/76/1415523876.db2.gz OTDQIMBVFOXENR-UHFFFAOYSA-N 1 1 389.402 3.150 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000126675359 1415523881 /nfs/dbraw/zinc/52/38/81/1415523881.db2.gz OTDQIMBVFOXENR-UHFFFAOYSA-N 1 1 389.402 3.150 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126674403 1415523926 /nfs/dbraw/zinc/52/39/26/1415523926.db2.gz IWDIHHIUMSSCFX-KDOFPFPSSA-N 1 1 377.872 3.266 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126728218 1415541240 /nfs/dbraw/zinc/54/12/40/1415541240.db2.gz YUNHTAWCVITMAO-JXFKEZNVSA-N 1 1 386.496 3.262 20 5 GGBDMO Cc1c(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000178035750 1428948887 /nfs/dbraw/zinc/94/88/87/1428948887.db2.gz JYCCCMQLYSVCNS-UHFFFAOYSA-N 1 1 385.439 3.319 20 5 GGBDMO Cc1c(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000178035750 1428948893 /nfs/dbraw/zinc/94/88/93/1428948893.db2.gz JYCCCMQLYSVCNS-UHFFFAOYSA-N 1 1 385.439 3.319 20 5 GGBDMO O=C(NC[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178045043 1428954039 /nfs/dbraw/zinc/95/40/39/1428954039.db2.gz BMAGMNOLCBVDFD-QGZVFWFLSA-N 1 1 383.448 3.116 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000126893071 1415597678 /nfs/dbraw/zinc/59/76/78/1415597678.db2.gz LVHFVFGOIXTRID-RDJZCZTQSA-N 1 1 397.431 3.355 20 5 GGBDMO COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000178054212 1428957819 /nfs/dbraw/zinc/95/78/19/1428957819.db2.gz OWKWVQMHTXSSDS-QGZVFWFLSA-N 1 1 383.448 3.245 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@H+]1Cc1ccccc1 ZINC000127056787 1415649927 /nfs/dbraw/zinc/64/99/27/1415649927.db2.gz DEEODHARPYWTLG-CRAIPNDOSA-N 1 1 392.459 3.398 20 5 GGBDMO COc1cc(C[NH+]2CCC(CO)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000127095571 1415659514 /nfs/dbraw/zinc/65/95/14/1415659514.db2.gz GVSPPODOFHZRSU-UHFFFAOYSA-N 1 1 386.448 3.387 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000127338443 1415743578 /nfs/dbraw/zinc/74/35/78/1415743578.db2.gz FFVIYACIDDPNSJ-UHFFFAOYSA-N 1 1 382.395 3.477 20 5 GGBDMO Cc1cc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000178242553 1429029633 /nfs/dbraw/zinc/02/96/33/1429029633.db2.gz PIDFOMSQYVDNSA-CALCHBBNSA-N 1 1 389.496 3.255 20 5 GGBDMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000178207093 1429018790 /nfs/dbraw/zinc/01/87/90/1429018790.db2.gz LLRSIYXEQRHBRO-NSHDSACASA-N 1 1 377.372 3.040 20 5 GGBDMO Cc1c(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000128252037 1415948714 /nfs/dbraw/zinc/94/87/14/1415948714.db2.gz USSQDBAPPHBZHC-OXJNMPFZSA-N 1 1 381.476 3.473 20 5 GGBDMO O=C(CC[N@H+](Cc1ccco1)C[C@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128357715 1415970166 /nfs/dbraw/zinc/97/01/66/1415970166.db2.gz ZGRVUQYAHQARMM-MRXNPFEDSA-N 1 1 391.399 3.337 20 5 GGBDMO Cc1c(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000178260539 1429035741 /nfs/dbraw/zinc/03/57/41/1429035741.db2.gz GIKVDISNPOXBLD-IYBDPMFKSA-N 1 1 389.496 3.255 20 5 GGBDMO C[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](c2ccccc2)C1 ZINC000128554185 1416012069 /nfs/dbraw/zinc/01/20/69/1416012069.db2.gz JGOFMFVQYUNUIM-FQEVSTJZSA-N 1 1 378.432 3.134 20 5 GGBDMO C[N@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](c2ccccc2)C1 ZINC000128554185 1416012073 /nfs/dbraw/zinc/01/20/73/1416012073.db2.gz JGOFMFVQYUNUIM-FQEVSTJZSA-N 1 1 378.432 3.134 20 5 GGBDMO C[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](c2ccccc2)C1 ZINC000128554454 1416012326 /nfs/dbraw/zinc/01/23/26/1416012326.db2.gz JGOFMFVQYUNUIM-HXUWFJFHSA-N 1 1 378.432 3.134 20 5 GGBDMO C[N@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](c2ccccc2)C1 ZINC000128554454 1416012329 /nfs/dbraw/zinc/01/23/29/1416012329.db2.gz JGOFMFVQYUNUIM-HXUWFJFHSA-N 1 1 378.432 3.134 20 5 GGBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000128726911 1416052890 /nfs/dbraw/zinc/05/28/90/1416052890.db2.gz NZRKPSJBEGBNKY-CQSZACIVSA-N 1 1 375.812 3.000 20 5 GGBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000128726911 1416052897 /nfs/dbraw/zinc/05/28/97/1416052897.db2.gz NZRKPSJBEGBNKY-CQSZACIVSA-N 1 1 375.812 3.000 20 5 GGBDMO O=C(CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128899247 1416095797 /nfs/dbraw/zinc/09/57/97/1416095797.db2.gz VRKNXALNLLOBEW-CXAGYDPISA-N 1 1 391.399 3.244 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000129285261 1416185012 /nfs/dbraw/zinc/18/50/12/1416185012.db2.gz BFVRWJJYOJMYAT-UHFFFAOYSA-N 1 1 377.485 3.114 20 5 GGBDMO O=C(CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302485 1416187686 /nfs/dbraw/zinc/18/76/86/1416187686.db2.gz PRKSYYMSNIVSDP-AUUYWEPGSA-N 1 1 390.459 3.011 20 5 GGBDMO O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302485 1416187709 /nfs/dbraw/zinc/18/77/09/1416187709.db2.gz PRKSYYMSNIVSDP-AUUYWEPGSA-N 1 1 390.459 3.011 20 5 GGBDMO O=C(CC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302485 1416187712 /nfs/dbraw/zinc/18/77/12/1416187712.db2.gz PRKSYYMSNIVSDP-AUUYWEPGSA-N 1 1 390.459 3.011 20 5 GGBDMO O=C(CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302726 1416187876 /nfs/dbraw/zinc/18/78/76/1416187876.db2.gz PRKSYYMSNIVSDP-KUHUBIRLSA-N 1 1 390.459 3.011 20 5 GGBDMO O=C(CC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302726 1416187892 /nfs/dbraw/zinc/18/78/92/1416187892.db2.gz PRKSYYMSNIVSDP-KUHUBIRLSA-N 1 1 390.459 3.011 20 5 GGBDMO O=C(CC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129302726 1416187896 /nfs/dbraw/zinc/18/78/96/1416187896.db2.gz PRKSYYMSNIVSDP-KUHUBIRLSA-N 1 1 390.459 3.011 20 5 GGBDMO Cn1cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129435615 1416209032 /nfs/dbraw/zinc/20/90/32/1416209032.db2.gz YNNFZDNPOPVWCA-UHFFFAOYSA-N 1 1 397.401 3.065 20 5 GGBDMO Cn1cc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129435615 1416209038 /nfs/dbraw/zinc/20/90/38/1416209038.db2.gz YNNFZDNPOPVWCA-UHFFFAOYSA-N 1 1 397.401 3.065 20 5 GGBDMO C[N@H+]1CCC[C@@H]1CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000178440063 1429077537 /nfs/dbraw/zinc/07/75/37/1429077537.db2.gz YBPQFIREQRZKQZ-OAHLLOKOSA-N 1 1 386.418 3.220 20 5 GGBDMO C[C@H](CCO)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000129672315 1416246255 /nfs/dbraw/zinc/24/62/55/1416246255.db2.gz DLNZAYFLVMNRQT-OAHLLOKOSA-N 1 1 389.427 3.336 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000129898464 1416281768 /nfs/dbraw/zinc/28/17/68/1416281768.db2.gz DLHPNJSRAUFNJK-UHFFFAOYSA-N 1 1 390.443 3.483 20 5 GGBDMO CCC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129934931 1416287760 /nfs/dbraw/zinc/28/77/60/1416287760.db2.gz ZKHZZMXELQNKAN-GOSISDBHSA-N 1 1 391.493 3.476 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130010331 1416301869 /nfs/dbraw/zinc/30/18/69/1416301869.db2.gz QYHKADCZLCJQBU-UHFFFAOYSA-N 1 1 380.832 3.119 20 5 GGBDMO CC(=O)c1cccc(OC[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130014993 1416302695 /nfs/dbraw/zinc/30/26/95/1416302695.db2.gz GYFPDSLFWMCEKT-HXUWFJFHSA-N 1 1 384.432 3.202 20 5 GGBDMO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130014993 1416302703 /nfs/dbraw/zinc/30/27/03/1416302703.db2.gz GYFPDSLFWMCEKT-HXUWFJFHSA-N 1 1 384.432 3.202 20 5 GGBDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130108027 1416319518 /nfs/dbraw/zinc/31/95/18/1416319518.db2.gz SHZIHAXJGOGJGZ-OAHLLOKOSA-N 1 1 376.434 3.335 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000130605505 1416408832 /nfs/dbraw/zinc/40/88/32/1416408832.db2.gz PIEWOPLPDVHFLX-UHFFFAOYSA-N 1 1 388.471 3.208 20 5 GGBDMO CCCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000130743019 1416439995 /nfs/dbraw/zinc/43/99/95/1416439995.db2.gz MLIXRJARWCRGTE-NVXWUHKLSA-N 1 1 399.495 3.396 20 5 GGBDMO CCCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000130743019 1416440001 /nfs/dbraw/zinc/44/00/01/1416440001.db2.gz MLIXRJARWCRGTE-NVXWUHKLSA-N 1 1 399.495 3.396 20 5 GGBDMO CCCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000130743019 1416440006 /nfs/dbraw/zinc/44/00/06/1416440006.db2.gz MLIXRJARWCRGTE-NVXWUHKLSA-N 1 1 399.495 3.396 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1 ZINC000131011480 1416496203 /nfs/dbraw/zinc/49/62/03/1416496203.db2.gz SHZJAPMAFZSINF-IBGZPJMESA-N 1 1 379.420 3.069 20 5 GGBDMO Cc1n[nH]c(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000131056590 1416502640 /nfs/dbraw/zinc/50/26/40/1416502640.db2.gz IERQSRSCFKNDKU-UHFFFAOYSA-N 1 1 383.374 3.276 20 5 GGBDMO C/C=C/c1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000131271612 1416532973 /nfs/dbraw/zinc/53/29/73/1416532973.db2.gz DSKOMYPTUVUDDV-YADGQWAMSA-N 1 1 398.459 3.435 20 5 GGBDMO C/C=C/c1ccc(OC[C@@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000131271612 1416532980 /nfs/dbraw/zinc/53/29/80/1416532980.db2.gz DSKOMYPTUVUDDV-YADGQWAMSA-N 1 1 398.459 3.435 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000131311746 1416538592 /nfs/dbraw/zinc/53/85/92/1416538592.db2.gz RKSPNBDFDPQANR-LJQANCHMSA-N 1 1 376.840 3.184 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000131311746 1416538596 /nfs/dbraw/zinc/53/85/96/1416538596.db2.gz RKSPNBDFDPQANR-LJQANCHMSA-N 1 1 376.840 3.184 20 5 GGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000131600625 1416582774 /nfs/dbraw/zinc/58/27/74/1416582774.db2.gz BEFIFGZSCWYAIS-INIZCTEOSA-N 1 1 378.469 3.400 20 5 GGBDMO C[N@H+](Cc1ccccc1N1CCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000131656201 1416591456 /nfs/dbraw/zinc/59/14/56/1416591456.db2.gz MLJSBWPKBCYFRZ-NRFANRHFSA-N 1 1 394.475 3.432 20 5 GGBDMO C[N@@H+](Cc1ccccc1N1CCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000131656201 1416591462 /nfs/dbraw/zinc/59/14/62/1416591462.db2.gz MLJSBWPKBCYFRZ-NRFANRHFSA-N 1 1 394.475 3.432 20 5 GGBDMO Cn1cccc1[C@H]1COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131824239 1416629550 /nfs/dbraw/zinc/62/95/50/1416629550.db2.gz XRSLXBVVSKXBES-GOSISDBHSA-N 1 1 382.420 3.204 20 5 GGBDMO Cn1cccc1[C@H]1COCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131824239 1416629555 /nfs/dbraw/zinc/62/95/55/1416629555.db2.gz XRSLXBVVSKXBES-GOSISDBHSA-N 1 1 382.420 3.204 20 5 GGBDMO Cn1cccc1[C@@H]1COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131824044 1416629720 /nfs/dbraw/zinc/62/97/20/1416629720.db2.gz XRSLXBVVSKXBES-SFHVURJKSA-N 1 1 382.420 3.204 20 5 GGBDMO Cn1cccc1[C@@H]1COCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131824044 1416629727 /nfs/dbraw/zinc/62/97/27/1416629727.db2.gz XRSLXBVVSKXBES-SFHVURJKSA-N 1 1 382.420 3.204 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000131976206 1416664304 /nfs/dbraw/zinc/66/43/04/1416664304.db2.gz JHCXXAAOHAVBQS-MRXNPFEDSA-N 1 1 383.448 3.340 20 5 GGBDMO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000132486975 1416771082 /nfs/dbraw/zinc/77/10/82/1416771082.db2.gz YRWHQBQIGICZDU-PXNSSMCTSA-N 1 1 397.475 3.485 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000132499853 1416773430 /nfs/dbraw/zinc/77/34/30/1416773430.db2.gz NSAORSGDQWAJQH-NVXWUHKLSA-N 1 1 391.493 3.186 20 5 GGBDMO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000132501061 1416773816 /nfs/dbraw/zinc/77/38/16/1416773816.db2.gz WXCMTIWGSDNTLC-AEFFLSMTSA-N 1 1 399.495 3.038 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000132519344 1416776616 /nfs/dbraw/zinc/77/66/16/1416776616.db2.gz DVYMLUNGWOSEII-UHFFFAOYSA-N 1 1 377.391 3.480 20 5 GGBDMO C[C@@H]1C[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000132524455 1416778422 /nfs/dbraw/zinc/77/84/22/1416778422.db2.gz VWBWEUADDBFZEV-IEBWSBKVSA-N 1 1 397.475 3.485 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000132541257 1416782078 /nfs/dbraw/zinc/78/20/78/1416782078.db2.gz HMVBZCJASLXAJO-SFHVURJKSA-N 1 1 399.472 3.054 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COCc1ccccc1Cl)CC2 ZINC000132590990 1416789355 /nfs/dbraw/zinc/78/93/55/1416789355.db2.gz UEKSCOAIELIUQK-SFHVURJKSA-N 1 1 376.840 3.184 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COCc1ccccc1Cl)CC2 ZINC000132590990 1416789362 /nfs/dbraw/zinc/78/93/62/1416789362.db2.gz UEKSCOAIELIUQK-SFHVURJKSA-N 1 1 376.840 3.184 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CO[C@@H]1CCCc3ccccc31)CC2 ZINC000132590146 1416789419 /nfs/dbraw/zinc/78/94/19/1416789419.db2.gz FQAQVUJAADGVLD-IFMALSPDSA-N 1 1 382.460 3.408 20 5 GGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CO[C@@H]1CCCc3ccccc31)CC2 ZINC000132590146 1416789422 /nfs/dbraw/zinc/78/94/22/1416789422.db2.gz FQAQVUJAADGVLD-IFMALSPDSA-N 1 1 382.460 3.408 20 5 GGBDMO CCOC(C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)OCC ZINC000132619906 1416794922 /nfs/dbraw/zinc/79/49/22/1416794922.db2.gz XPQZEZIDXKPYGT-UHFFFAOYSA-N 1 1 391.390 3.135 20 5 GGBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000133248792 1416869830 /nfs/dbraw/zinc/86/98/30/1416869830.db2.gz ZURGJTGPLHCDPM-OAHLLOKOSA-N 1 1 389.839 3.391 20 5 GGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000133248792 1416869833 /nfs/dbraw/zinc/86/98/33/1416869833.db2.gz ZURGJTGPLHCDPM-OAHLLOKOSA-N 1 1 389.839 3.391 20 5 GGBDMO CCOC(=O)c1ccnc(NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1[N+](=O)[O-] ZINC000133460630 1416892188 /nfs/dbraw/zinc/89/21/88/1416892188.db2.gz MNJSNZHTHFYMPU-UHFFFAOYSA-N 1 1 399.382 3.412 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134282331 1417048943 /nfs/dbraw/zinc/04/89/43/1417048943.db2.gz KIASAFFUBMGZQL-UHFFFAOYSA-N 1 1 391.855 3.380 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134282331 1417048951 /nfs/dbraw/zinc/04/89/51/1417048951.db2.gz KIASAFFUBMGZQL-UHFFFAOYSA-N 1 1 391.855 3.380 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134282264 1417049102 /nfs/dbraw/zinc/04/91/02/1417049102.db2.gz LGBVQJIALMMKSA-UHFFFAOYSA-N 1 1 391.855 3.380 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134282264 1417049106 /nfs/dbraw/zinc/04/91/06/1417049106.db2.gz LGBVQJIALMMKSA-UHFFFAOYSA-N 1 1 391.855 3.380 20 5 GGBDMO CC[C@@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000134474117 1417074393 /nfs/dbraw/zinc/07/43/93/1417074393.db2.gz OSAMZXYAXYKHQZ-MRXNPFEDSA-N 1 1 391.855 3.460 20 5 GGBDMO CC[C@@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000134474117 1417074400 /nfs/dbraw/zinc/07/44/00/1417074400.db2.gz OSAMZXYAXYKHQZ-MRXNPFEDSA-N 1 1 391.855 3.460 20 5 GGBDMO CC[C@@H](O)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000134473028 1417074575 /nfs/dbraw/zinc/07/45/75/1417074575.db2.gz UWKNZUQSPOCCEC-GOSISDBHSA-N 1 1 382.420 3.418 20 5 GGBDMO CC[C@@H](O)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000134473028 1417074579 /nfs/dbraw/zinc/07/45/79/1417074579.db2.gz UWKNZUQSPOCCEC-GOSISDBHSA-N 1 1 382.420 3.418 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000134630278 1417101417 /nfs/dbraw/zinc/10/14/17/1417101417.db2.gz YPXVGXGUAYSPAT-LSDHHAIUSA-N 1 1 379.457 3.351 20 5 GGBDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000134645304 1417103661 /nfs/dbraw/zinc/10/36/61/1417103661.db2.gz IXSKMUBBXGNFLL-HIFRSBDPSA-N 1 1 379.457 3.481 20 5 GGBDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000134645304 1417103663 /nfs/dbraw/zinc/10/36/63/1417103663.db2.gz IXSKMUBBXGNFLL-HIFRSBDPSA-N 1 1 379.457 3.481 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000134651696 1417106155 /nfs/dbraw/zinc/10/61/55/1417106155.db2.gz HQZVNJPTXPUBPK-GJZGRUSLSA-N 1 1 379.457 3.351 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134934014 1417147805 /nfs/dbraw/zinc/14/78/05/1417147805.db2.gz OTWWRNBFUXHJMY-UZLBHIALSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134934014 1417147823 /nfs/dbraw/zinc/14/78/23/1417147823.db2.gz OTWWRNBFUXHJMY-UZLBHIALSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134934014 1417147826 /nfs/dbraw/zinc/14/78/26/1417147826.db2.gz OTWWRNBFUXHJMY-UZLBHIALSA-N 1 1 386.496 3.181 20 5 GGBDMO C[N@@H+](CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCCC1 ZINC000134961580 1417152504 /nfs/dbraw/zinc/15/25/04/1417152504.db2.gz URHKCKWBJZUQTA-UHFFFAOYSA-N 1 1 385.468 3.165 20 5 GGBDMO O=C(CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc2c(c1)OCO2 ZINC000135219113 1417190007 /nfs/dbraw/zinc/19/00/07/1417190007.db2.gz JIKOAPLSJMPFKC-UHFFFAOYSA-N 1 1 383.404 3.317 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)COc1cccc2[nH]ccc21)C1CC1 ZINC000135220678 1417190849 /nfs/dbraw/zinc/19/08/49/1417190849.db2.gz MXEOVELHUWFKHZ-KRWDZBQOSA-N 1 1 381.432 3.480 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)C1CC1 ZINC000135220678 1417190852 /nfs/dbraw/zinc/19/08/52/1417190852.db2.gz MXEOVELHUWFKHZ-KRWDZBQOSA-N 1 1 381.432 3.480 20 5 GGBDMO Cc1cccc([C@@H](O)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)c1 ZINC000135493299 1417228030 /nfs/dbraw/zinc/22/80/30/1417228030.db2.gz FKTHNOADQSVYGY-NRFANRHFSA-N 1 1 380.448 3.336 20 5 GGBDMO Cc1cccc([C@H](O)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc2)c1 ZINC000135493281 1417228164 /nfs/dbraw/zinc/22/81/64/1417228164.db2.gz FKTHNOADQSVYGY-OAQYLSRUSA-N 1 1 380.448 3.336 20 5 GGBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000178786082 1429169629 /nfs/dbraw/zinc/16/96/29/1429169629.db2.gz SWHXPWKIBKATQY-STQMWFEESA-N 1 1 390.465 3.014 20 5 GGBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000136060549 1417288960 /nfs/dbraw/zinc/28/89/60/1417288960.db2.gz YOPOPLDYBJAKLP-CQSZACIVSA-N 1 1 387.440 3.013 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000136095331 1417291584 /nfs/dbraw/zinc/29/15/84/1417291584.db2.gz MASQFYXXGZRFCL-INIZCTEOSA-N 1 1 385.468 3.165 20 5 GGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3c(Br)cccc3C2)c1 ZINC000137063767 1417365950 /nfs/dbraw/zinc/36/59/50/1417365950.db2.gz CXBYJOCDZNKLEY-KRWDZBQOSA-N 1 1 377.238 3.449 20 5 GGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3c(Br)cccc3C2)c1 ZINC000137063767 1417365960 /nfs/dbraw/zinc/36/59/60/1417365960.db2.gz CXBYJOCDZNKLEY-KRWDZBQOSA-N 1 1 377.238 3.449 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000137447825 1417385778 /nfs/dbraw/zinc/38/57/78/1417385778.db2.gz RNTYKRNOSFFSQL-FUHWJXTLSA-N 1 1 383.448 3.143 20 5 GGBDMO CCc1nc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000138924120 1417442083 /nfs/dbraw/zinc/44/20/83/1417442083.db2.gz LXEUPBSDNLNCOB-UHFFFAOYSA-N 1 1 378.454 3.083 20 5 GGBDMO CCc1nc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000138924120 1417442085 /nfs/dbraw/zinc/44/20/85/1417442085.db2.gz LXEUPBSDNLNCOB-UHFFFAOYSA-N 1 1 378.454 3.083 20 5 GGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000139187664 1417451541 /nfs/dbraw/zinc/45/15/41/1417451541.db2.gz RRZOEDFBZXLEAC-WMZOPIPTSA-N 1 1 383.448 3.315 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1C ZINC000139254346 1417454013 /nfs/dbraw/zinc/45/40/13/1417454013.db2.gz OZTGDWMQQGJNRW-HLLBOEOZSA-N 1 1 395.525 3.238 20 5 GGBDMO Cc1cccc([C@@H]2CCC[N@H+]2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000140212691 1417492519 /nfs/dbraw/zinc/49/25/19/1417492519.db2.gz PHVAFVYGWLEQAI-KRWDZBQOSA-N 1 1 382.420 3.433 20 5 GGBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000178838022 1429189272 /nfs/dbraw/zinc/18/92/72/1429189272.db2.gz VBNBNZXPMFYKPH-HNNXBMFYSA-N 1 1 387.436 3.456 20 5 GGBDMO CC(C)[N@H+](CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000140793972 1417517076 /nfs/dbraw/zinc/51/70/76/1417517076.db2.gz SKEKHQAAZPDXHI-IBGZPJMESA-N 1 1 383.448 3.445 20 5 GGBDMO CC(C)[N@@H+](CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000140793972 1417517085 /nfs/dbraw/zinc/51/70/85/1417517085.db2.gz SKEKHQAAZPDXHI-IBGZPJMESA-N 1 1 383.448 3.445 20 5 GGBDMO CC(C)[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000140804374 1417517182 /nfs/dbraw/zinc/51/71/82/1417517182.db2.gz OXRXKVINEFADGB-UHFFFAOYSA-N 1 1 385.420 3.215 20 5 GGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000140804374 1417517186 /nfs/dbraw/zinc/51/71/86/1417517186.db2.gz OXRXKVINEFADGB-UHFFFAOYSA-N 1 1 385.420 3.215 20 5 GGBDMO CNc1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000146005589 1417707462 /nfs/dbraw/zinc/70/74/62/1417707462.db2.gz JNQNTKQBUAYJOI-UHFFFAOYSA-N 1 1 386.477 3.438 20 5 GGBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000146243476 1417713475 /nfs/dbraw/zinc/71/34/75/1417713475.db2.gz YFAYVPDAJFDLRV-NFAWXSAZSA-N 1 1 396.875 3.354 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1 ZINC000146998104 1417736392 /nfs/dbraw/zinc/73/63/92/1417736392.db2.gz BVALBHSLDXMZJR-NRFANRHFSA-N 1 1 397.475 3.416 20 5 GGBDMO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000178877036 1429207963 /nfs/dbraw/zinc/20/79/63/1429207963.db2.gz YLZZOMVEMZIXRI-SJORKVTESA-N 1 1 394.541 3.066 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150937525 1417839279 /nfs/dbraw/zinc/83/92/79/1417839279.db2.gz DWYPGXHCRIJHIP-NSHDSACASA-N 1 1 385.848 3.239 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150937525 1417839281 /nfs/dbraw/zinc/83/92/81/1417839281.db2.gz DWYPGXHCRIJHIP-NSHDSACASA-N 1 1 385.848 3.239 20 5 GGBDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000151162651 1417885188 /nfs/dbraw/zinc/88/51/88/1417885188.db2.gz BPDGQPCONFSHDJ-MRXNPFEDSA-N 1 1 388.512 3.170 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000151162651 1417885191 /nfs/dbraw/zinc/88/51/91/1417885191.db2.gz BPDGQPCONFSHDJ-MRXNPFEDSA-N 1 1 388.512 3.170 20 5 GGBDMO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151477801 1417991872 /nfs/dbraw/zinc/99/18/72/1417991872.db2.gz QCIGMCHYLDNTFS-CVEARBPZSA-N 1 1 389.477 3.066 20 5 GGBDMO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151477801 1417991890 /nfs/dbraw/zinc/99/18/90/1417991890.db2.gz QCIGMCHYLDNTFS-CVEARBPZSA-N 1 1 389.477 3.066 20 5 GGBDMO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151477868 1417992139 /nfs/dbraw/zinc/99/21/39/1417992139.db2.gz QCIGMCHYLDNTFS-JKSUJKDBSA-N 1 1 389.477 3.066 20 5 GGBDMO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151477868 1417992161 /nfs/dbraw/zinc/99/21/61/1417992161.db2.gz QCIGMCHYLDNTFS-JKSUJKDBSA-N 1 1 389.477 3.066 20 5 GGBDMO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151477728 1417992295 /nfs/dbraw/zinc/99/22/95/1417992295.db2.gz QCIGMCHYLDNTFS-HOTGVXAUSA-N 1 1 389.477 3.066 20 5 GGBDMO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151477728 1417992303 /nfs/dbraw/zinc/99/23/03/1417992303.db2.gz QCIGMCHYLDNTFS-HOTGVXAUSA-N 1 1 389.477 3.066 20 5 GGBDMO CC[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151479217 1417992468 /nfs/dbraw/zinc/99/24/68/1417992468.db2.gz MXIZXESFVGQEEE-UXHICEINSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151479217 1417992475 /nfs/dbraw/zinc/99/24/75/1417992475.db2.gz MXIZXESFVGQEEE-UXHICEINSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151494709 1418002396 /nfs/dbraw/zinc/00/23/96/1418002396.db2.gz SKQAEZJHACNACW-ICSRJNTNSA-N 1 1 383.448 3.004 20 5 GGBDMO CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151494709 1418002406 /nfs/dbraw/zinc/00/24/06/1418002406.db2.gz SKQAEZJHACNACW-ICSRJNTNSA-N 1 1 383.448 3.004 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151684730 1418060456 /nfs/dbraw/zinc/06/04/56/1418060456.db2.gz ZLJKNDFCKCZGFV-QAPCUYQASA-N 1 1 387.436 3.413 20 5 GGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000151725077 1418071717 /nfs/dbraw/zinc/07/17/17/1418071717.db2.gz KWSFNGYHZUMZQX-HXUWFJFHSA-N 1 1 381.476 3.208 20 5 GGBDMO CN(C(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000151761441 1418080763 /nfs/dbraw/zinc/08/07/63/1418080763.db2.gz FDOAWMFSQHZWFK-KRWDZBQOSA-N 1 1 396.447 3.013 20 5 GGBDMO CN(C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000151762233 1418081341 /nfs/dbraw/zinc/08/13/41/1418081341.db2.gz YFDIMEGKHAEDME-LJQANCHMSA-N 1 1 396.447 3.013 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000151802635 1418090643 /nfs/dbraw/zinc/09/06/43/1418090643.db2.gz HYODMOOCROHVLH-UHFFFAOYSA-N 1 1 386.500 3.255 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000152024644 1418123955 /nfs/dbraw/zinc/12/39/55/1418123955.db2.gz PXLKANMXQXBMEV-JKSUJKDBSA-N 1 1 388.468 3.047 20 5 GGBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178988059 1429235665 /nfs/dbraw/zinc/23/56/65/1429235665.db2.gz DRDPYSSCAZHWAK-UHFFFAOYSA-N 1 1 391.493 3.240 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000152033063 1418126495 /nfs/dbraw/zinc/12/64/95/1418126495.db2.gz KYCGOKKFIJSONR-ZWKOTPCHSA-N 1 1 398.511 3.397 20 5 GGBDMO CCCCNC(=O)C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000179153949 1429279228 /nfs/dbraw/zinc/27/92/28/1429279228.db2.gz CXIGOUFMDHIOQI-UHFFFAOYSA-N 1 1 386.452 3.378 20 5 GGBDMO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000179316673 1429326150 /nfs/dbraw/zinc/32/61/50/1429326150.db2.gz DMCHGFZRRDAFCH-UHFFFAOYSA-N 1 1 380.404 3.388 20 5 GGBDMO C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000179316673 1429326155 /nfs/dbraw/zinc/32/61/55/1429326155.db2.gz DMCHGFZRRDAFCH-UHFFFAOYSA-N 1 1 380.404 3.388 20 5 GGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1OCC(=O)N(C)C ZINC000179320413 1429327970 /nfs/dbraw/zinc/32/79/70/1429327970.db2.gz RFJWGYGOQYJJOC-UHFFFAOYSA-N 1 1 385.464 3.472 20 5 GGBDMO CCCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000179331788 1429331987 /nfs/dbraw/zinc/33/19/87/1429331987.db2.gz HHHPKXHDBMZOEM-UHFFFAOYSA-N 1 1 385.411 3.325 20 5 GGBDMO COc1cc(C[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000179397640 1429359055 /nfs/dbraw/zinc/35/90/55/1429359055.db2.gz ZXVFEXYNQNLNOO-NSHDSACASA-N 1 1 378.347 3.155 20 5 GGBDMO COc1cc(C[N@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000179397640 1429359063 /nfs/dbraw/zinc/35/90/63/1429359063.db2.gz ZXVFEXYNQNLNOO-NSHDSACASA-N 1 1 378.347 3.155 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516243 1429405275 /nfs/dbraw/zinc/40/52/75/1429405275.db2.gz RMGKEOFZLRSING-HNNXBMFYSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179516243 1429405279 /nfs/dbraw/zinc/40/52/79/1429405279.db2.gz RMGKEOFZLRSING-HNNXBMFYSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179516243 1429405290 /nfs/dbraw/zinc/40/52/90/1429405290.db2.gz RMGKEOFZLRSING-HNNXBMFYSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000179535719 1429414893 /nfs/dbraw/zinc/41/48/93/1429414893.db2.gz KBBXOAXQNIWSLI-UHFFFAOYSA-N 1 1 376.376 3.146 20 5 GGBDMO C[C@H](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000179601107 1429464694 /nfs/dbraw/zinc/46/46/94/1429464694.db2.gz VWWWGJSEBKTGCC-CYBMUJFWSA-N 1 1 397.522 3.382 20 5 GGBDMO CCC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179642149 1429485386 /nfs/dbraw/zinc/48/53/86/1429485386.db2.gz RRFLHGVLWPGODX-INIZCTEOSA-N 1 1 378.450 3.254 20 5 GGBDMO CCC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179642149 1429485393 /nfs/dbraw/zinc/48/53/93/1429485393.db2.gz RRFLHGVLWPGODX-INIZCTEOSA-N 1 1 378.450 3.254 20 5 GGBDMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000152348157 1422079645 /nfs/dbraw/zinc/07/96/45/1422079645.db2.gz HYOHWNQDXGPZMN-UHFFFAOYSA-N 1 1 397.410 3.392 20 5 GGBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152459072 1422109372 /nfs/dbraw/zinc/10/93/72/1422109372.db2.gz SGIGHTUCOJDFEO-UHFFFAOYSA-N 1 1 381.860 3.013 20 5 GGBDMO CS(=O)(=O)c1ccc(N2CC[NH+](CC3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000179741209 1429531861 /nfs/dbraw/zinc/53/18/61/1429531861.db2.gz COZRSTFAVWYSLY-UHFFFAOYSA-N 1 1 395.525 3.091 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000152619172 1422170470 /nfs/dbraw/zinc/17/04/70/1422170470.db2.gz MICNXMQYAWSUPZ-OAHLLOKOSA-N 1 1 391.855 3.201 20 5 GGBDMO CCOc1ccc([C@H](C)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000152855210 1422272544 /nfs/dbraw/zinc/27/25/44/1422272544.db2.gz QIYRDECOVJOJIL-OXJNMPFZSA-N 1 1 399.491 3.063 20 5 GGBDMO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000152855210 1422272557 /nfs/dbraw/zinc/27/25/57/1422272557.db2.gz QIYRDECOVJOJIL-OXJNMPFZSA-N 1 1 399.491 3.063 20 5 GGBDMO CCOc1ccc([C@@H](C)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000152855102 1422272946 /nfs/dbraw/zinc/27/29/46/1422272946.db2.gz QIYRDECOVJOJIL-OXQOHEQNSA-N 1 1 399.491 3.063 20 5 GGBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000152855102 1422272952 /nfs/dbraw/zinc/27/29/52/1422272952.db2.gz QIYRDECOVJOJIL-OXQOHEQNSA-N 1 1 399.491 3.063 20 5 GGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000153069298 1422346058 /nfs/dbraw/zinc/34/60/58/1422346058.db2.gz VHMFXGDQNBGVLS-UHFFFAOYSA-N 1 1 385.439 3.401 20 5 GGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000153069298 1422346067 /nfs/dbraw/zinc/34/60/67/1422346067.db2.gz VHMFXGDQNBGVLS-UHFFFAOYSA-N 1 1 385.439 3.401 20 5 GGBDMO CSc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153357782 1422490403 /nfs/dbraw/zinc/49/04/03/1422490403.db2.gz KGNKXMGYQWEWSB-HOCLYGCPSA-N 1 1 375.494 3.406 20 5 GGBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153365592 1422497101 /nfs/dbraw/zinc/49/71/01/1422497101.db2.gz QTMAFSYKEVUPFM-DNVCBOLYSA-N 1 1 384.480 3.258 20 5 GGBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153365834 1422497619 /nfs/dbraw/zinc/49/76/19/1422497619.db2.gz QTMAFSYKEVUPFM-HNAYVOBHSA-N 1 1 384.480 3.258 20 5 GGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153451223 1422543361 /nfs/dbraw/zinc/54/33/61/1422543361.db2.gz PANXMXISQUTZHN-HNNXBMFYSA-N 1 1 386.452 3.234 20 5 GGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153451223 1422543372 /nfs/dbraw/zinc/54/33/72/1422543372.db2.gz PANXMXISQUTZHN-HNNXBMFYSA-N 1 1 386.452 3.234 20 5 GGBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ncc(Cl)cc3[N+](=O)[O-])c2)CCO1 ZINC000153619604 1422652801 /nfs/dbraw/zinc/65/28/01/1422652801.db2.gz DZCYPIHMXKYZOU-ZDUSSCGKSA-N 1 1 376.844 3.476 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ncc(Cl)cc3[N+](=O)[O-])c2)CCO1 ZINC000153619604 1422652810 /nfs/dbraw/zinc/65/28/10/1422652810.db2.gz DZCYPIHMXKYZOU-ZDUSSCGKSA-N 1 1 376.844 3.476 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000153700994 1422709567 /nfs/dbraw/zinc/70/95/67/1422709567.db2.gz NHBPOHWHGNKKGM-UHFFFAOYSA-N 1 1 397.903 3.459 20 5 GGBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)C[C@H](C)O1 ZINC000153706309 1422712988 /nfs/dbraw/zinc/71/29/88/1422712988.db2.gz QRQLPUIRGWQHIN-LZWOXQAQSA-N 1 1 392.477 3.172 20 5 GGBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)C[C@H](C)O1 ZINC000153706309 1422713015 /nfs/dbraw/zinc/71/30/15/1422713015.db2.gz QRQLPUIRGWQHIN-LZWOXQAQSA-N 1 1 392.477 3.172 20 5 GGBDMO O=C(NC1CC1)c1ccc(C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153706984 1422713327 /nfs/dbraw/zinc/71/33/27/1422713327.db2.gz UNKPNNRLHBGMJD-OAQYLSRUSA-N 1 1 395.459 3.185 20 5 GGBDMO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000153746095 1422734819 /nfs/dbraw/zinc/73/48/19/1422734819.db2.gz JXVKBGOUONZAMG-JFIYKMOQSA-N 1 1 388.512 3.243 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](Oc4ccncc4)C3)o2)c1 ZINC000154019802 1422826825 /nfs/dbraw/zinc/82/68/25/1422826825.db2.gz ISZKHDPJCYEZGJ-SFHVURJKSA-N 1 1 380.404 3.341 20 5 GGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000154085181 1422837928 /nfs/dbraw/zinc/83/79/28/1422837928.db2.gz JWURMVMERXTYLA-KBXCAEBGSA-N 1 1 375.494 3.162 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000154170057 1422849957 /nfs/dbraw/zinc/84/99/57/1422849957.db2.gz UQVZXXLCBUGTSI-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000154429418 1422887722 /nfs/dbraw/zinc/88/77/22/1422887722.db2.gz ZIGLMIYXPXMUIE-PMACEKPBSA-N 1 1 382.416 3.457 20 5 GGBDMO CC(C)[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000154462906 1422891819 /nfs/dbraw/zinc/89/18/19/1422891819.db2.gz HCUMDNUXTURKDM-UHFFFAOYSA-N 1 1 376.482 3.299 20 5 GGBDMO CC(C)[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000154462906 1422891821 /nfs/dbraw/zinc/89/18/21/1422891821.db2.gz HCUMDNUXTURKDM-UHFFFAOYSA-N 1 1 376.482 3.299 20 5 GGBDMO O=C(NC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000154482978 1422894959 /nfs/dbraw/zinc/89/49/59/1422894959.db2.gz IHLMQIXLSIQVBF-UXHICEINSA-N 1 1 398.463 3.304 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000154572331 1422938678 /nfs/dbraw/zinc/93/86/78/1422938678.db2.gz YUKOSDDUWNAFEY-QGZVFWFLSA-N 1 1 386.448 3.387 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000154572331 1422938694 /nfs/dbraw/zinc/93/86/94/1422938694.db2.gz YUKOSDDUWNAFEY-QGZVFWFLSA-N 1 1 386.448 3.387 20 5 GGBDMO COc1ccc(OCC[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c([N+](=O)[O-])c1 ZINC000179827302 1429598648 /nfs/dbraw/zinc/59/86/48/1429598648.db2.gz VNTARAKGFIWWOU-MRXNPFEDSA-N 1 1 376.413 3.230 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000179841032 1429605315 /nfs/dbraw/zinc/60/53/15/1429605315.db2.gz MMIOFNORSWCTPV-HNNXBMFYSA-N 1 1 399.447 3.463 20 5 GGBDMO Cc1ccc(NC(=O)c2ccc(N[C@@H](C)[C@H]3C[N@H+](C)CCO3)c([N+](=O)[O-])c2)cc1 ZINC000154844323 1423052631 /nfs/dbraw/zinc/05/26/31/1423052631.db2.gz UKYIJHYMDKYJAJ-MGPUTAFESA-N 1 1 398.463 3.287 20 5 GGBDMO Cc1ccc(NC(=O)c2ccc(N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)c([N+](=O)[O-])c2)cc1 ZINC000154844323 1423052638 /nfs/dbraw/zinc/05/26/38/1423052638.db2.gz UKYIJHYMDKYJAJ-MGPUTAFESA-N 1 1 398.463 3.287 20 5 GGBDMO Cc1ccc(NC(=O)c2ccc(N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)c([N+](=O)[O-])c2)cc1 ZINC000154844122 1423052796 /nfs/dbraw/zinc/05/27/96/1423052796.db2.gz UKYIJHYMDKYJAJ-YWZLYKJASA-N 1 1 398.463 3.287 20 5 GGBDMO Cc1ccc(NC(=O)c2ccc(N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)c([N+](=O)[O-])c2)cc1 ZINC000154844122 1423052805 /nfs/dbraw/zinc/05/28/05/1423052805.db2.gz UKYIJHYMDKYJAJ-YWZLYKJASA-N 1 1 398.463 3.287 20 5 GGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154848544 1423053737 /nfs/dbraw/zinc/05/37/37/1423053737.db2.gz LYNOMWXFIVLBAP-QGZVFWFLSA-N 1 1 396.447 3.469 20 5 GGBDMO CC(C)n1ncc2cc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cnc21 ZINC000154887391 1423068108 /nfs/dbraw/zinc/06/81/08/1423068108.db2.gz TUNSAOATWOBDAM-UHFFFAOYSA-N 1 1 380.452 3.243 20 5 GGBDMO COc1cc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000155195326 1423234297 /nfs/dbraw/zinc/23/42/97/1423234297.db2.gz HXEMSOQVBBAHGU-UHFFFAOYSA-N 1 1 387.461 3.405 20 5 GGBDMO Cn1cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155210172 1423247356 /nfs/dbraw/zinc/24/73/56/1423247356.db2.gz OUCWJBXBDVFILP-OAQYLSRUSA-N 1 1 391.475 3.484 20 5 GGBDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155224234 1423256213 /nfs/dbraw/zinc/25/62/13/1423256213.db2.gz UQORNSAUAWQJCH-LLVKDONJSA-N 1 1 385.262 3.211 20 5 GGBDMO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000155297910 1423306291 /nfs/dbraw/zinc/30/62/91/1423306291.db2.gz IURUSRYNHZUHCN-OAHLLOKOSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000155297910 1423306301 /nfs/dbraw/zinc/30/63/01/1423306301.db2.gz IURUSRYNHZUHCN-OAHLLOKOSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2)cc1 ZINC000155339543 1423323279 /nfs/dbraw/zinc/32/32/79/1423323279.db2.gz AEEXMABKEZXMQE-INIZCTEOSA-N 1 1 399.447 3.430 20 5 GGBDMO COc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000155339776 1423323408 /nfs/dbraw/zinc/32/34/08/1423323408.db2.gz ACEVOKBZHKGFCL-INIZCTEOSA-N 1 1 399.447 3.430 20 5 GGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CNC(C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000155567697 1423423128 /nfs/dbraw/zinc/42/31/28/1423423128.db2.gz MOQOCTLRXGWXBT-HNNXBMFYSA-N 1 1 387.436 3.212 20 5 GGBDMO COc1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179924843 1429643933 /nfs/dbraw/zinc/64/39/33/1429643933.db2.gz ZQCVWSMBHCBFSC-GFCCVEGCSA-N 1 1 386.395 3.248 20 5 GGBDMO CCN1CCN([C@@H]2CC[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)CC1 ZINC000155664513 1423475086 /nfs/dbraw/zinc/47/50/86/1423475086.db2.gz CSWKUPMKLRONSR-HXUWFJFHSA-N 1 1 391.515 3.158 20 5 GGBDMO CCN1CCN([C@@H]2CC[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)CC1 ZINC000155664513 1423475093 /nfs/dbraw/zinc/47/50/93/1423475093.db2.gz CSWKUPMKLRONSR-HXUWFJFHSA-N 1 1 391.515 3.158 20 5 GGBDMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000155769871 1423526806 /nfs/dbraw/zinc/52/68/06/1423526806.db2.gz ZFCPUVDKCMRWEV-FZMZJTMJSA-N 1 1 376.413 3.276 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155922628 1423595655 /nfs/dbraw/zinc/59/56/55/1423595655.db2.gz YPUGLUMDRGFOMW-IBGZPJMESA-N 1 1 383.448 3.115 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155950515 1423607107 /nfs/dbraw/zinc/60/71/07/1423607107.db2.gz PYBGGLFBANRBTL-FQEVSTJZSA-N 1 1 383.448 3.115 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c2c(c1)COCO2 ZINC000156022180 1423637666 /nfs/dbraw/zinc/63/76/66/1423637666.db2.gz LJXCQWUWXKHDOZ-FQEVSTJZSA-N 1 1 384.432 3.234 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000156082955 1423665035 /nfs/dbraw/zinc/66/50/35/1423665035.db2.gz NSLGJUJQAGPUJM-UXLLHSPISA-N 1 1 376.457 3.009 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000156082955 1423665036 /nfs/dbraw/zinc/66/50/36/1423665036.db2.gz NSLGJUJQAGPUJM-UXLLHSPISA-N 1 1 376.457 3.009 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1Cl ZINC000179959601 1429662883 /nfs/dbraw/zinc/66/28/83/1429662883.db2.gz POIONKLAPBSVII-HNNXBMFYSA-N 1 1 391.811 3.010 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000156475812 1423815024 /nfs/dbraw/zinc/81/50/24/1423815024.db2.gz WYQVTFFTEWBCGK-WFASDCNBSA-N 1 1 396.394 3.484 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000156475812 1423815026 /nfs/dbraw/zinc/81/50/26/1423815026.db2.gz WYQVTFFTEWBCGK-WFASDCNBSA-N 1 1 396.394 3.484 20 5 GGBDMO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000179987812 1429676869 /nfs/dbraw/zinc/67/68/69/1429676869.db2.gz POMDAFOBUCNPTB-UHFFFAOYSA-N 1 1 387.386 3.431 20 5 GGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000156694359 1423849271 /nfs/dbraw/zinc/84/92/71/1423849271.db2.gz NQNIKQMSNBQGIW-UHFFFAOYSA-N 1 1 392.419 3.336 20 5 GGBDMO NC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000157074785 1423917712 /nfs/dbraw/zinc/91/77/12/1423917712.db2.gz SPZFBOJVILNEGF-ZDUSSCGKSA-N 1 1 375.812 3.348 20 5 GGBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000157156715 1423939795 /nfs/dbraw/zinc/93/97/95/1423939795.db2.gz FILAFOVVDSJYCX-CYBMUJFWSA-N 1 1 375.812 3.348 20 5 GGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000157212898 1423957397 /nfs/dbraw/zinc/95/73/97/1423957397.db2.gz JZGBMXOOVNACFJ-XLIONFOSSA-N 1 1 389.499 3.097 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000157570167 1424040338 /nfs/dbraw/zinc/04/03/38/1424040338.db2.gz ONWBKVRNVLNWHL-CQSZACIVSA-N 1 1 392.475 3.433 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000157822659 1424096499 /nfs/dbraw/zinc/09/64/99/1424096499.db2.gz NNLXLLIZVPZHKV-CZUORRHYSA-N 1 1 383.876 3.115 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000157943856 1424126105 /nfs/dbraw/zinc/12/61/05/1424126105.db2.gz BWQWNVCEYBZKTI-HNNXBMFYSA-N 1 1 399.447 3.430 20 5 GGBDMO COc1ccccc1[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000158049364 1424148631 /nfs/dbraw/zinc/14/86/31/1424148631.db2.gz KFFFHTICELWCOY-HNAYVOBHSA-N 1 1 381.432 3.198 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000158792137 1424342984 /nfs/dbraw/zinc/34/29/84/1424342984.db2.gz ZXTZFRGBAMTLNS-FQEVSTJZSA-N 1 1 378.432 3.404 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(c4ncccn4)CC3)s2)cc1 ZINC000158803073 1424346261 /nfs/dbraw/zinc/34/62/61/1424346261.db2.gz QCNQLYCALJAMMC-UHFFFAOYSA-N 1 1 381.461 3.436 20 5 GGBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000159370845 1424497066 /nfs/dbraw/zinc/49/70/66/1424497066.db2.gz OCMMLTDRKOWWTH-ZDUSSCGKSA-N 1 1 378.450 3.248 20 5 GGBDMO COc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000159466830 1424504726 /nfs/dbraw/zinc/50/47/26/1424504726.db2.gz NGTAAOTXUHBUPL-UHFFFAOYSA-N 1 1 387.411 3.091 20 5 GGBDMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000159466830 1424504735 /nfs/dbraw/zinc/50/47/35/1424504735.db2.gz NGTAAOTXUHBUPL-UHFFFAOYSA-N 1 1 387.411 3.091 20 5 GGBDMO C[C@H](O)C[N@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000159500754 1424508372 /nfs/dbraw/zinc/50/83/72/1424508372.db2.gz VUNRAIBAIHVSES-SJCJKPOMSA-N 1 1 377.828 3.241 20 5 GGBDMO C[C@H](O)C[N@@H+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000159500754 1424508377 /nfs/dbraw/zinc/50/83/77/1424508377.db2.gz VUNRAIBAIHVSES-SJCJKPOMSA-N 1 1 377.828 3.241 20 5 GGBDMO C[C@@H](O)C[N@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000159511773 1424510086 /nfs/dbraw/zinc/51/00/86/1424510086.db2.gz SJVHSIUMYZEJRY-PXAZEXFGSA-N 1 1 377.828 3.241 20 5 GGBDMO C[C@@H](O)C[N@@H+](C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000159511773 1424510094 /nfs/dbraw/zinc/51/00/94/1424510094.db2.gz SJVHSIUMYZEJRY-PXAZEXFGSA-N 1 1 377.828 3.241 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159855846 1424542895 /nfs/dbraw/zinc/54/28/95/1424542895.db2.gz RBVISGZQUZNPEV-CQSZACIVSA-N 1 1 386.452 3.128 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159855846 1424542903 /nfs/dbraw/zinc/54/29/03/1424542903.db2.gz RBVISGZQUZNPEV-CQSZACIVSA-N 1 1 386.452 3.128 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1F ZINC000160569007 1424615059 /nfs/dbraw/zinc/61/50/59/1424615059.db2.gz VNYKVTOJTMUXIY-UHFFFAOYSA-N 1 1 397.410 3.270 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000160874597 1424640638 /nfs/dbraw/zinc/64/06/38/1424640638.db2.gz NINLSZMHWZLGKM-VQTJNVASSA-N 1 1 383.448 3.286 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000160874597 1424640643 /nfs/dbraw/zinc/64/06/43/1424640643.db2.gz NINLSZMHWZLGKM-VQTJNVASSA-N 1 1 383.448 3.286 20 5 GGBDMO CCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000161087047 1424657266 /nfs/dbraw/zinc/65/72/66/1424657266.db2.gz FFNBJOJTRWBSEG-INIZCTEOSA-N 1 1 378.450 3.254 20 5 GGBDMO CCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000161087047 1424657272 /nfs/dbraw/zinc/65/72/72/1424657272.db2.gz FFNBJOJTRWBSEG-INIZCTEOSA-N 1 1 378.450 3.254 20 5 GGBDMO Cc1c([C@@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000161247630 1424669795 /nfs/dbraw/zinc/66/97/95/1424669795.db2.gz OUQJTDYQDNZVTK-MRXNPFEDSA-N 1 1 384.480 3.045 20 5 GGBDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000161464217 1424692994 /nfs/dbraw/zinc/69/29/94/1424692994.db2.gz HNGRJVYQXUUWCC-AWEZNQCLSA-N 1 1 387.436 3.461 20 5 GGBDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000161464217 1424693002 /nfs/dbraw/zinc/69/30/02/1424693002.db2.gz HNGRJVYQXUUWCC-AWEZNQCLSA-N 1 1 387.436 3.461 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000161632893 1424730158 /nfs/dbraw/zinc/73/01/58/1424730158.db2.gz BEBOWMKPSKDUPM-MRXNPFEDSA-N 1 1 398.463 3.009 20 5 GGBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000161727285 1424751541 /nfs/dbraw/zinc/75/15/41/1424751541.db2.gz KHAKZGFJRWECBO-CXAGYDPISA-N 1 1 393.509 3.078 20 5 GGBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000161727285 1424751551 /nfs/dbraw/zinc/75/15/51/1424751551.db2.gz KHAKZGFJRWECBO-CXAGYDPISA-N 1 1 393.509 3.078 20 5 GGBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000161727157 1424751643 /nfs/dbraw/zinc/75/16/43/1424751643.db2.gz KHAKZGFJRWECBO-SUMWQHHRSA-N 1 1 393.509 3.078 20 5 GGBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000161727157 1424751646 /nfs/dbraw/zinc/75/16/46/1424751646.db2.gz KHAKZGFJRWECBO-SUMWQHHRSA-N 1 1 393.509 3.078 20 5 GGBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000161927937 1424799090 /nfs/dbraw/zinc/79/90/90/1424799090.db2.gz GMOLWRMLRRDTNR-WBMJQRKESA-N 1 1 393.871 3.488 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000162006006 1424807939 /nfs/dbraw/zinc/80/79/39/1424807939.db2.gz GXVUTKHLINXINV-ZDUSSCGKSA-N 1 1 397.859 3.242 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000162006006 1424807940 /nfs/dbraw/zinc/80/79/40/1424807940.db2.gz GXVUTKHLINXINV-ZDUSSCGKSA-N 1 1 397.859 3.242 20 5 GGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000162044206 1424811394 /nfs/dbraw/zinc/81/13/94/1424811394.db2.gz NHGOTOFVEUICEO-CQSZACIVSA-N 1 1 388.493 3.426 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000162561413 1424866064 /nfs/dbraw/zinc/86/60/64/1424866064.db2.gz JPBOERFRWKXMPB-UHFFFAOYSA-N 1 1 380.445 3.078 20 5 GGBDMO CC[C@@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000163532541 1425012592 /nfs/dbraw/zinc/01/25/92/1425012592.db2.gz PCGIMQZIMZQHBJ-LJQANCHMSA-N 1 1 390.528 3.262 20 5 GGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000163565450 1425018467 /nfs/dbraw/zinc/01/84/67/1425018467.db2.gz JSWNKIMHCFMCDW-RISCZKNCSA-N 1 1 384.383 3.144 20 5 GGBDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180158835 1429771851 /nfs/dbraw/zinc/77/18/51/1429771851.db2.gz DPGURNCAWMEAKR-ZDUSSCGKSA-N 1 1 388.411 3.496 20 5 GGBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000163873928 1425053065 /nfs/dbraw/zinc/05/30/65/1425053065.db2.gz MKLIHWMMMBPFNS-UHFFFAOYSA-N 1 1 382.464 3.375 20 5 GGBDMO Cc1nn(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000164806196 1425143803 /nfs/dbraw/zinc/14/38/03/1425143803.db2.gz GWNWQIUEOYCHQR-UXHICEINSA-N 1 1 383.496 3.352 20 5 GGBDMO Cc1nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000164806067 1425144027 /nfs/dbraw/zinc/14/40/27/1425144027.db2.gz GWNWQIUEOYCHQR-WOJBJXKFSA-N 1 1 383.496 3.352 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000165671345 1425191438 /nfs/dbraw/zinc/19/14/38/1425191438.db2.gz BWEIMXVLCAFVLW-UHFFFAOYSA-N 1 1 388.512 3.430 20 5 GGBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170647307 1425274193 /nfs/dbraw/zinc/27/41/93/1425274193.db2.gz XJGWMKKMROTBGX-HNNXBMFYSA-N 1 1 379.457 3.210 20 5 GGBDMO CN(C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)C(=O)OC(C)(C)C ZINC000170903445 1425386862 /nfs/dbraw/zinc/38/68/62/1425386862.db2.gz SGJYYUROSXUQDA-AWEZNQCLSA-N 1 1 389.456 3.091 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)C(=O)OC(C)(C)C ZINC000170903445 1425386866 /nfs/dbraw/zinc/38/68/66/1425386866.db2.gz SGJYYUROSXUQDA-AWEZNQCLSA-N 1 1 389.456 3.091 20 5 GGBDMO CCC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170904380 1425387770 /nfs/dbraw/zinc/38/77/70/1425387770.db2.gz IMZPYQZTXOUEFU-OAHLLOKOSA-N 1 1 381.477 3.087 20 5 GGBDMO CCC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000170904380 1425387772 /nfs/dbraw/zinc/38/77/72/1425387772.db2.gz IMZPYQZTXOUEFU-OAHLLOKOSA-N 1 1 381.477 3.087 20 5 GGBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000170912989 1425388555 /nfs/dbraw/zinc/38/85/55/1425388555.db2.gz MHKZUGFJZFOINH-KRWDZBQOSA-N 1 1 398.463 3.031 20 5 GGBDMO COc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000170917622 1425390209 /nfs/dbraw/zinc/39/02/09/1425390209.db2.gz IRBKNYTYNNQMGD-OAHLLOKOSA-N 1 1 379.457 3.292 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000170919384 1425392509 /nfs/dbraw/zinc/39/25/09/1425392509.db2.gz UOMAHVOSLANGFT-OAHLLOKOSA-N 1 1 379.457 3.162 20 5 GGBDMO CCc1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000171399656 1425662253 /nfs/dbraw/zinc/66/22/53/1425662253.db2.gz ANADUEYFEUJLAK-CQSZACIVSA-N 1 1 385.468 3.042 20 5 GGBDMO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171399798 1425662411 /nfs/dbraw/zinc/66/24/11/1425662411.db2.gz HMGFTQSMNNIPIN-AWEZNQCLSA-N 1 1 385.468 3.042 20 5 GGBDMO Cc1nc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000171916440 1425851864 /nfs/dbraw/zinc/85/18/64/1425851864.db2.gz XOSKSSXQPWPCRC-UHFFFAOYSA-N 1 1 388.493 3.230 20 5 GGBDMO CC(C)C[N@H+]1CCO[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000172112268 1425899461 /nfs/dbraw/zinc/89/94/61/1425899461.db2.gz DIJDXGMEIGIYOO-SFHVURJKSA-N 1 1 390.509 3.165 20 5 GGBDMO CCOc1ccccc1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000172168430 1425930608 /nfs/dbraw/zinc/93/06/08/1425930608.db2.gz SQTIDDKXFSLHFE-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000172204360 1425946353 /nfs/dbraw/zinc/94/63/53/1425946353.db2.gz GHOXCWFLTBUJER-IBGZPJMESA-N 1 1 382.464 3.401 20 5 GGBDMO C[C@H](c1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000172250468 1425967398 /nfs/dbraw/zinc/96/73/98/1425967398.db2.gz NRUOFCZVWPVJAZ-OAHLLOKOSA-N 1 1 384.436 3.310 20 5 GGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000172841439 1426214986 /nfs/dbraw/zinc/21/49/86/1426214986.db2.gz FBEAAVBTKOEHNA-GOSISDBHSA-N 1 1 391.515 3.488 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1SC ZINC000172843774 1426216338 /nfs/dbraw/zinc/21/63/38/1426216338.db2.gz VIAILLDZEKYVRX-ZDUSSCGKSA-N 1 1 381.498 3.272 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@@H](COCc4ccccc4)C3)n2)c1 ZINC000172970739 1426288726 /nfs/dbraw/zinc/28/87/26/1426288726.db2.gz ZTTMRRMMEYVYIP-GOSISDBHSA-N 1 1 393.447 3.350 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000173075164 1426332240 /nfs/dbraw/zinc/33/22/40/1426332240.db2.gz DFYLZJWVIHWIKS-CALCHBBNSA-N 1 1 397.475 3.063 20 5 GGBDMO C[C@@H](c1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000173089567 1426337673 /nfs/dbraw/zinc/33/76/73/1426337673.db2.gz KMJDUXMHDICZHY-INIZCTEOSA-N 1 1 398.463 3.063 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000173243998 1426426358 /nfs/dbraw/zinc/42/63/58/1426426358.db2.gz GMSKFOVNIBHGBP-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000173243998 1426426370 /nfs/dbraw/zinc/42/63/70/1426426370.db2.gz GMSKFOVNIBHGBP-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000173264388 1426442367 /nfs/dbraw/zinc/44/23/67/1426442367.db2.gz YCYCEVBAIIEWSU-GOSISDBHSA-N 1 1 386.496 3.189 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000173296960 1426478629 /nfs/dbraw/zinc/47/86/29/1426478629.db2.gz WSOSKMHXSXQNPK-UHFFFAOYSA-N 1 1 384.480 3.188 20 5 GGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cn3nccc3-c3ccncc3)CC2)cc1 ZINC000173435745 1426617009 /nfs/dbraw/zinc/61/70/09/1426617009.db2.gz LTZWWZKWYWLQMZ-UHFFFAOYSA-N 1 1 379.420 3.354 20 5 GGBDMO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462702 1426637083 /nfs/dbraw/zinc/63/70/83/1426637083.db2.gz HHZARRLZJNXSBM-HIFRSBDPSA-N 1 1 380.408 3.287 20 5 GGBDMO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462702 1426637090 /nfs/dbraw/zinc/63/70/90/1426637090.db2.gz HHZARRLZJNXSBM-HIFRSBDPSA-N 1 1 380.408 3.287 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)nc1 ZINC000173467406 1426641881 /nfs/dbraw/zinc/64/18/81/1426641881.db2.gz MVXGTGKRKNAIGV-OAHLLOKOSA-N 1 1 383.383 3.470 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)nc1 ZINC000173467406 1426641884 /nfs/dbraw/zinc/64/18/84/1426641884.db2.gz MVXGTGKRKNAIGV-OAHLLOKOSA-N 1 1 383.383 3.470 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)nc1 ZINC000173468172 1426642825 /nfs/dbraw/zinc/64/28/25/1426642825.db2.gz FSMRNXFCGGAUGG-ZDUSSCGKSA-N 1 1 383.383 3.470 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)nc1 ZINC000173468172 1426642833 /nfs/dbraw/zinc/64/28/33/1426642833.db2.gz FSMRNXFCGGAUGG-ZDUSSCGKSA-N 1 1 383.383 3.470 20 5 GGBDMO CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173467922 1426643130 /nfs/dbraw/zinc/64/31/30/1426643130.db2.gz DGLCYMKIRIUOSQ-SFHVURJKSA-N 1 1 397.479 3.062 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3coc(-c4cccc(F)c4)n3)C2)nc1 ZINC000173472436 1426647332 /nfs/dbraw/zinc/64/73/32/1426647332.db2.gz CGLDLFVENYLUTE-OAHLLOKOSA-N 1 1 383.383 3.470 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C2)nc1 ZINC000173472436 1426647348 /nfs/dbraw/zinc/64/73/48/1426647348.db2.gz CGLDLFVENYLUTE-OAHLLOKOSA-N 1 1 383.383 3.470 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000173514931 1426685236 /nfs/dbraw/zinc/68/52/36/1426685236.db2.gz FTUDISFAQFZLGM-SFHVURJKSA-N 1 1 379.464 3.356 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173516252 1426688927 /nfs/dbraw/zinc/68/89/27/1426688927.db2.gz HKTLQWVZTNPFHH-SFHVURJKSA-N 1 1 379.464 3.356 20 5 GGBDMO C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000173527174 1426701710 /nfs/dbraw/zinc/70/17/10/1426701710.db2.gz FPYIFKGZQCKDGR-OAHLLOKOSA-N 1 1 393.447 3.208 20 5 GGBDMO C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000173527174 1426701724 /nfs/dbraw/zinc/70/17/24/1426701724.db2.gz FPYIFKGZQCKDGR-OAHLLOKOSA-N 1 1 393.447 3.208 20 5 GGBDMO C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000173527174 1426701738 /nfs/dbraw/zinc/70/17/38/1426701738.db2.gz FPYIFKGZQCKDGR-OAHLLOKOSA-N 1 1 393.447 3.208 20 5 GGBDMO C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000173527194 1426702060 /nfs/dbraw/zinc/70/20/60/1426702060.db2.gz FPYIFKGZQCKDGR-HNNXBMFYSA-N 1 1 393.447 3.208 20 5 GGBDMO C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000173527194 1426702068 /nfs/dbraw/zinc/70/20/68/1426702068.db2.gz FPYIFKGZQCKDGR-HNNXBMFYSA-N 1 1 393.447 3.208 20 5 GGBDMO C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000173527194 1426702077 /nfs/dbraw/zinc/70/20/77/1426702077.db2.gz FPYIFKGZQCKDGR-HNNXBMFYSA-N 1 1 393.447 3.208 20 5 GGBDMO C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000173530008 1426704593 /nfs/dbraw/zinc/70/45/93/1426704593.db2.gz IKCHISOMCXGQBM-KRWDZBQOSA-N 1 1 383.448 3.097 20 5 GGBDMO C[C@@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@H+]1Cc1ccccc1 ZINC000173532615 1426706935 /nfs/dbraw/zinc/70/69/35/1426706935.db2.gz GFQKCELLIUILMG-MRXNPFEDSA-N 1 1 396.447 3.057 20 5 GGBDMO COc1ccc(OCC[N@H+](Cc2ccco2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000173565982 1426735102 /nfs/dbraw/zinc/73/51/02/1426735102.db2.gz HKXNIBSPQKCATC-QGZVFWFLSA-N 1 1 376.409 3.256 20 5 GGBDMO C[C@H](CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000173593093 1426756298 /nfs/dbraw/zinc/75/62/98/1426756298.db2.gz CPNGJGKAQJHZBN-OAHLLOKOSA-N 1 1 389.427 3.140 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000173612304 1426790127 /nfs/dbraw/zinc/79/01/27/1426790127.db2.gz MOVGRFLRFXHPCJ-UHFFFAOYSA-N 1 1 382.464 3.211 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173645941 1426808734 /nfs/dbraw/zinc/80/87/34/1426808734.db2.gz HBBJVQPIOOLUIO-FQEVSTJZSA-N 1 1 382.464 3.045 20 5 GGBDMO O=C(CC[N@H+]1CC[C@H](COCc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000173651107 1426810542 /nfs/dbraw/zinc/81/05/42/1426810542.db2.gz SAOGXEUIMAHANP-SFHVURJKSA-N 1 1 383.448 3.462 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173653618 1426811207 /nfs/dbraw/zinc/81/12/07/1426811207.db2.gz RPRCNYTYNSXJIZ-WMZOPIPTSA-N 1 1 383.448 3.461 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173654338 1426811506 /nfs/dbraw/zinc/81/15/06/1426811506.db2.gz RSFADBWFUURWBG-KRWDZBQOSA-N 1 1 399.447 3.081 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173654338 1426811508 /nfs/dbraw/zinc/81/15/08/1426811508.db2.gz RSFADBWFUURWBG-KRWDZBQOSA-N 1 1 399.447 3.081 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000173656417 1426812037 /nfs/dbraw/zinc/81/20/37/1426812037.db2.gz PSTXKDCDVQADJX-KRWDZBQOSA-N 1 1 399.447 3.081 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](COCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000173656417 1426812039 /nfs/dbraw/zinc/81/20/39/1426812039.db2.gz PSTXKDCDVQADJX-KRWDZBQOSA-N 1 1 399.447 3.081 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccccc2F)C2CCCCC2)c1 ZINC000173666260 1426814481 /nfs/dbraw/zinc/81/44/81/1426814481.db2.gz BYNGFOGGVXYDDB-SFHVURJKSA-N 1 1 376.432 3.126 20 5 GGBDMO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173799623 1426854197 /nfs/dbraw/zinc/85/41/97/1426854197.db2.gz IERXAJXMVOARKL-HNNXBMFYSA-N 1 1 375.469 3.275 20 5 GGBDMO C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000173799560 1426854400 /nfs/dbraw/zinc/85/44/00/1426854400.db2.gz NKMYXOIHVYCHCU-OAHLLOKOSA-N 1 1 387.480 3.228 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000173799176 1426854423 /nfs/dbraw/zinc/85/44/23/1426854423.db2.gz FVVKEXNUNLQDDY-OAHLLOKOSA-N 1 1 399.447 3.474 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000173802305 1426855618 /nfs/dbraw/zinc/85/56/18/1426855618.db2.gz HZZWXCFFFPQSRV-GOSISDBHSA-N 1 1 391.515 3.345 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000173811919 1426858086 /nfs/dbraw/zinc/85/80/86/1426858086.db2.gz CYAVZACGDCJIQD-QGZVFWFLSA-N 1 1 388.512 3.389 20 5 GGBDMO CC[C@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000173946248 1426903876 /nfs/dbraw/zinc/90/38/76/1426903876.db2.gz UFFLUCOKEVVEPP-KRWDZBQOSA-N 1 1 378.454 3.222 20 5 GGBDMO CC[C@@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000173946261 1426904076 /nfs/dbraw/zinc/90/40/76/1426904076.db2.gz UFFLUCOKEVVEPP-QGZVFWFLSA-N 1 1 378.454 3.222 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173972845 1426917959 /nfs/dbraw/zinc/91/79/59/1426917959.db2.gz JLCNHHORNOCHCP-LJQANCHMSA-N 1 1 396.491 3.296 20 5 GGBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000173974050 1426918684 /nfs/dbraw/zinc/91/86/84/1426918684.db2.gz WMFMYDCOGVSJNN-LJQANCHMSA-N 1 1 396.491 3.377 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000173974050 1426918692 /nfs/dbraw/zinc/91/86/92/1426918692.db2.gz WMFMYDCOGVSJNN-LJQANCHMSA-N 1 1 396.491 3.377 20 5 GGBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000174103135 1427003187 /nfs/dbraw/zinc/00/31/87/1427003187.db2.gz RMDMZAIGJUYIGN-UHFFFAOYSA-N 1 1 376.800 3.001 20 5 GGBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000174185372 1427038156 /nfs/dbraw/zinc/03/81/56/1427038156.db2.gz GBTDRGROANIDII-UHFFFAOYSA-N 1 1 391.815 3.392 20 5 GGBDMO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245688 1427067870 /nfs/dbraw/zinc/06/78/70/1427067870.db2.gz PWMRWQHSCVBNAQ-INIZCTEOSA-N 1 1 383.448 3.143 20 5 GGBDMO CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246046 1427067903 /nfs/dbraw/zinc/06/79/03/1427067903.db2.gz GJROHXVASAFEQO-INIZCTEOSA-N 1 1 375.469 3.229 20 5 GGBDMO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174249373 1427069511 /nfs/dbraw/zinc/06/95/11/1427069511.db2.gz CZWRKPRWIIVOQE-DNVCBOLYSA-N 1 1 375.469 3.133 20 5 GGBDMO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCc2ccccc2C1 ZINC000174249172 1427069813 /nfs/dbraw/zinc/06/98/13/1427069813.db2.gz RFWSXXAPDKEYDS-UHFFFAOYSA-N 1 1 395.459 3.023 20 5 GGBDMO CC1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)cc2[N+](=O)[O-])CC1 ZINC000174632712 1427277470 /nfs/dbraw/zinc/27/74/70/1427277470.db2.gz MJLNVBXEWXTGOZ-ZWKOTPCHSA-N 1 1 386.496 3.140 20 5 GGBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000174658966 1427292926 /nfs/dbraw/zinc/29/29/26/1427292926.db2.gz NQCKOTURVQQJDQ-AEFFLSMTSA-N 1 1 386.496 3.140 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000174678376 1427304952 /nfs/dbraw/zinc/30/49/52/1427304952.db2.gz ASRINHDMXMMFDS-KRWDZBQOSA-N 1 1 398.463 3.143 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174680451 1427306436 /nfs/dbraw/zinc/30/64/36/1427306436.db2.gz OLYWRMIKVFWIQS-LJQANCHMSA-N 1 1 382.464 3.443 20 5 GGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174825004 1427388825 /nfs/dbraw/zinc/38/88/25/1427388825.db2.gz XDZUKJPSGNXQQB-UHFFFAOYSA-N 1 1 379.457 3.305 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@H+](CCCO)C(c2ccccc2)c2ccccc2)c1 ZINC000174844460 1427402204 /nfs/dbraw/zinc/40/22/04/1427402204.db2.gz VNVYWCPMTNHTMS-UHFFFAOYSA-N 1 1 380.448 3.265 20 5 GGBDMO CC(C)OCCCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174844197 1427402490 /nfs/dbraw/zinc/40/24/90/1427402490.db2.gz SIOFVASFYWLQMA-UHFFFAOYSA-N 1 1 397.903 3.392 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)nc(C)[nH+]1 ZINC000174882714 1427426157 /nfs/dbraw/zinc/42/61/57/1427426157.db2.gz AWCFPDAJEJPQNC-UHFFFAOYSA-N 1 1 389.843 3.054 20 5 GGBDMO CN(C(=O)C[N@@H+](CCCO)[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000174906120 1427439324 /nfs/dbraw/zinc/43/93/24/1427439324.db2.gz RQDGKFQWVRUYNK-NRFANRHFSA-N 1 1 397.475 3.320 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000174972160 1427473286 /nfs/dbraw/zinc/47/32/86/1427473286.db2.gz FMNVAKNXVMOYQN-IBGZPJMESA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000175074105 1427532367 /nfs/dbraw/zinc/53/23/67/1427532367.db2.gz ANJOUXPPSKGRIK-GOSISDBHSA-N 1 1 383.448 3.441 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000175074105 1427532370 /nfs/dbraw/zinc/53/23/70/1427532370.db2.gz ANJOUXPPSKGRIK-GOSISDBHSA-N 1 1 383.448 3.441 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000175151420 1427570139 /nfs/dbraw/zinc/57/01/39/1427570139.db2.gz VPHWUAMFRMDLPN-AWEZNQCLSA-N 1 1 379.457 3.340 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000175151420 1427570144 /nfs/dbraw/zinc/57/01/44/1427570144.db2.gz VPHWUAMFRMDLPN-AWEZNQCLSA-N 1 1 379.457 3.340 20 5 GGBDMO C[C@@H](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000175160733 1427574414 /nfs/dbraw/zinc/57/44/14/1427574414.db2.gz LLKFGWWWKDRWPC-HNNXBMFYSA-N 1 1 391.493 3.321 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000175280713 1427644977 /nfs/dbraw/zinc/64/49/77/1427644977.db2.gz VMQXMHKEBVMXKN-LJQANCHMSA-N 1 1 397.475 3.344 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000175286162 1427647611 /nfs/dbraw/zinc/64/76/11/1427647611.db2.gz VMJGKYXAZYWAFL-QGZVFWFLSA-N 1 1 382.464 3.161 20 5 GGBDMO CC(C)(NC(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000175372562 1427715146 /nfs/dbraw/zinc/71/51/46/1427715146.db2.gz YDDGVGQWOAQZTQ-UHFFFAOYSA-N 1 1 382.464 3.187 20 5 GGBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000175411545 1427739821 /nfs/dbraw/zinc/73/98/21/1427739821.db2.gz OMKYZVHTTNKVRJ-PWFNWSNSSA-N 1 1 392.477 3.413 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000175426528 1427748422 /nfs/dbraw/zinc/74/84/22/1427748422.db2.gz OKMXMVMRXTVRHU-APWZRJJASA-N 1 1 382.464 3.447 20 5 GGBDMO CCC(CC)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000175431260 1427751266 /nfs/dbraw/zinc/75/12/66/1427751266.db2.gz NGQXWEHPFPHSGJ-INIZCTEOSA-N 1 1 383.876 3.115 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000175456724 1427765091 /nfs/dbraw/zinc/76/50/91/1427765091.db2.gz WELHPSFXMHGVGF-QFBILLFUSA-N 1 1 382.464 3.447 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000175459708 1427766482 /nfs/dbraw/zinc/76/64/82/1427766482.db2.gz HJXMIWCPUWMKSM-IIBYNOLFSA-N 1 1 397.475 3.278 20 5 GGBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])c1 ZINC000175498266 1427790416 /nfs/dbraw/zinc/79/04/16/1427790416.db2.gz DVYVTAOIXYVADP-OAHLLOKOSA-N 1 1 397.435 3.256 20 5 GGBDMO C[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000175539150 1427808782 /nfs/dbraw/zinc/80/87/82/1427808782.db2.gz BMRKRZDLOOGUBC-OXQOHEQNSA-N 1 1 383.448 3.063 20 5 GGBDMO C[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000175539150 1427808783 /nfs/dbraw/zinc/80/87/83/1427808783.db2.gz BMRKRZDLOOGUBC-OXQOHEQNSA-N 1 1 383.448 3.063 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000175695226 1427861384 /nfs/dbraw/zinc/86/13/84/1427861384.db2.gz QBTAOFCCBWSHKW-WMZOPIPTSA-N 1 1 392.500 3.010 20 5 GGBDMO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000175827884 1427914844 /nfs/dbraw/zinc/91/48/44/1427914844.db2.gz YZAMGJLKDUAKIW-BBRMVZONSA-N 1 1 375.450 3.183 20 5 GGBDMO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000175827884 1427914850 /nfs/dbraw/zinc/91/48/50/1427914850.db2.gz YZAMGJLKDUAKIW-BBRMVZONSA-N 1 1 375.450 3.183 20 5 GGBDMO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000175827862 1427914958 /nfs/dbraw/zinc/91/49/58/1427914958.db2.gz YZAMGJLKDUAKIW-CJNGLKHVSA-N 1 1 375.450 3.183 20 5 GGBDMO O=C(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000175827862 1427914962 /nfs/dbraw/zinc/91/49/62/1427914962.db2.gz YZAMGJLKDUAKIW-CJNGLKHVSA-N 1 1 375.450 3.183 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000175962639 1428000743 /nfs/dbraw/zinc/00/07/43/1428000743.db2.gz XCOHCILDMJQVBO-CQSZACIVSA-N 1 1 388.493 3.383 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000175962639 1428000748 /nfs/dbraw/zinc/00/07/48/1428000748.db2.gz XCOHCILDMJQVBO-CQSZACIVSA-N 1 1 388.493 3.383 20 5 GGBDMO C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000175977063 1428008920 /nfs/dbraw/zinc/00/89/20/1428008920.db2.gz LYYMGQDFKDOYLL-KRWDZBQOSA-N 1 1 382.464 3.401 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000175981870 1428011538 /nfs/dbraw/zinc/01/15/38/1428011538.db2.gz QOKGUTQMNZOJLL-UHFFFAOYSA-N 1 1 389.843 3.054 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176108411 1428087410 /nfs/dbraw/zinc/08/74/10/1428087410.db2.gz VAWCBNRQKWZTMR-MJGOQNOKSA-N 1 1 396.491 3.200 20 5 GGBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000176224261 1428176633 /nfs/dbraw/zinc/17/66/33/1428176633.db2.gz MSKAOPPPEGDOOQ-QGZVFWFLSA-N 1 1 385.439 3.337 20 5 GGBDMO CC(C)(O)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000180212182 1429803081 /nfs/dbraw/zinc/80/30/81/1429803081.db2.gz IZXWJCXMXJCXAY-UHFFFAOYSA-N 1 1 382.420 3.418 20 5 GGBDMO CC(C)(O)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000180212182 1429803084 /nfs/dbraw/zinc/80/30/84/1429803084.db2.gz IZXWJCXMXJCXAY-UHFFFAOYSA-N 1 1 382.420 3.418 20 5 GGBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180225139 1429807325 /nfs/dbraw/zinc/80/73/25/1429807325.db2.gz PKAQDGYNGJJLOO-CYBMUJFWSA-N 1 1 387.427 3.021 20 5 GGBDMO COc1cc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180240804 1429812329 /nfs/dbraw/zinc/81/23/29/1429812329.db2.gz UNXDKONCRHDJHQ-HNNXBMFYSA-N 1 1 376.400 3.086 20 5 GGBDMO Cn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2cccs2)n1 ZINC000180344936 1429841025 /nfs/dbraw/zinc/84/10/25/1429841025.db2.gz OGSKNNPCURNAEF-AWEZNQCLSA-N 1 1 384.465 3.138 20 5 GGBDMO COc1ccc([C@H](C)C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000180399847 1429857340 /nfs/dbraw/zinc/85/73/40/1429857340.db2.gz WMYSFHKEBXLNOQ-MRXNPFEDSA-N 1 1 383.448 3.165 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000180529794 1429891150 /nfs/dbraw/zinc/89/11/50/1429891150.db2.gz RQVUACLGEZDQHW-AEFFLSMTSA-N 1 1 391.512 3.387 20 5 GGBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000180651759 1429956843 /nfs/dbraw/zinc/95/68/43/1429956843.db2.gz ZYEDTYFUIVDEAE-KRWDZBQOSA-N 1 1 388.855 3.397 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000180851326 1430070022 /nfs/dbraw/zinc/07/00/22/1430070022.db2.gz DLSBHCXTPAIYDS-CRAIPNDOSA-N 1 1 386.448 3.385 20 5 GGBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180933127 1430122140 /nfs/dbraw/zinc/12/21/40/1430122140.db2.gz KKUBTDKZSIZOQW-OAHLLOKOSA-N 1 1 382.464 3.339 20 5 GGBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000180947477 1430129259 /nfs/dbraw/zinc/12/92/59/1430129259.db2.gz UCTVSKUPQMSQSQ-MRXNPFEDSA-N 1 1 387.461 3.077 20 5 GGBDMO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc1[N+](=O)[O-] ZINC000180947911 1430130233 /nfs/dbraw/zinc/13/02/33/1430130233.db2.gz IVXWTAGAGZZSEX-MRXNPFEDSA-N 1 1 387.461 3.077 20 5 GGBDMO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000180952147 1430131901 /nfs/dbraw/zinc/13/19/01/1430131901.db2.gz BSMFYKHJOUSZJR-MRXNPFEDSA-N 1 1 387.461 3.077 20 5 GGBDMO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000180977228 1430147837 /nfs/dbraw/zinc/14/78/37/1430147837.db2.gz UANVMZOYESUZAU-KRWDZBQOSA-N 1 1 396.491 3.271 20 5 GGBDMO C[C@H](CCO)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000180980152 1430149820 /nfs/dbraw/zinc/14/98/20/1430149820.db2.gz UYOYKVUGLRRKQM-CQSZACIVSA-N 1 1 391.855 3.460 20 5 GGBDMO C[C@H](CCO)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000180980152 1430149823 /nfs/dbraw/zinc/14/98/23/1430149823.db2.gz UYOYKVUGLRRKQM-CQSZACIVSA-N 1 1 391.855 3.460 20 5 GGBDMO CCOCC[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000181039833 1430181911 /nfs/dbraw/zinc/18/19/11/1430181911.db2.gz XTXWLLXIMIBLFD-GFCCVEGCSA-N 1 1 378.454 3.014 20 5 GGBDMO CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000181039833 1430181924 /nfs/dbraw/zinc/18/19/24/1430181924.db2.gz XTXWLLXIMIBLFD-GFCCVEGCSA-N 1 1 378.454 3.014 20 5 GGBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000181442682 1430300254 /nfs/dbraw/zinc/30/02/54/1430300254.db2.gz PMUZLTDTNIVTKJ-OAHLLOKOSA-N 1 1 399.781 3.442 20 5 GGBDMO C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181457456 1430304070 /nfs/dbraw/zinc/30/40/70/1430304070.db2.gz NBGFRERBMSWXII-GJZGRUSLSA-N 1 1 384.480 3.388 20 5 GGBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000181612506 1430327799 /nfs/dbraw/zinc/32/77/99/1430327799.db2.gz BJOVANBQTQGMDI-SFHVURJKSA-N 1 1 388.855 3.175 20 5 GGBDMO C[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000181612506 1430327801 /nfs/dbraw/zinc/32/78/01/1430327801.db2.gz BJOVANBQTQGMDI-SFHVURJKSA-N 1 1 388.855 3.175 20 5 GGBDMO C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181634191 1430331996 /nfs/dbraw/zinc/33/19/96/1430331996.db2.gz KBDMEZOUWSKBBN-HOTGVXAUSA-N 1 1 397.479 3.163 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181642862 1430333402 /nfs/dbraw/zinc/33/34/02/1430333402.db2.gz RAFDKSAHVMBNDP-UONOGXRCSA-N 1 1 390.440 3.194 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181642882 1430333413 /nfs/dbraw/zinc/33/34/13/1430333413.db2.gz RAFDKSAHVMBNDP-ZIAGYGMSSA-N 1 1 390.440 3.194 20 5 GGBDMO C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181655002 1430336113 /nfs/dbraw/zinc/33/61/13/1430336113.db2.gz DTWZJWCXVUPQSE-HZPDHXFCSA-N 1 1 397.479 3.163 20 5 GGBDMO C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181670927 1430338906 /nfs/dbraw/zinc/33/89/06/1430338906.db2.gz MLTZHFALBYQXAU-HZPDHXFCSA-N 1 1 397.479 3.163 20 5 GGBDMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2nnc(CC(C)C)s2)cc1[N+](=O)[O-] ZINC000181825482 1430367841 /nfs/dbraw/zinc/36/78/41/1430367841.db2.gz DXMIUUHHPFTJJT-LBPRGKRZSA-N 1 1 377.470 3.243 20 5 GGBDMO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000182073201 1430406360 /nfs/dbraw/zinc/40/63/60/1430406360.db2.gz FERSRVQZXSBXFP-UHFFFAOYSA-N 1 1 383.395 3.287 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000182138157 1430418352 /nfs/dbraw/zinc/41/83/52/1430418352.db2.gz ZECXVYPHTWFZIA-GOSISDBHSA-N 1 1 375.856 3.411 20 5 GGBDMO O=C(C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000182200435 1430428789 /nfs/dbraw/zinc/42/87/89/1430428789.db2.gz OTQDKTGINXAPJT-CABCVRRESA-N 1 1 390.461 3.133 20 5 GGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182222798 1430432575 /nfs/dbraw/zinc/43/25/75/1430432575.db2.gz HKFSPJWXMDHSRR-ZDUSSCGKSA-N 1 1 383.395 3.191 20 5 GGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182222778 1430432680 /nfs/dbraw/zinc/43/26/80/1430432680.db2.gz HKFSPJWXMDHSRR-CYBMUJFWSA-N 1 1 383.395 3.191 20 5 GGBDMO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000182248433 1430436649 /nfs/dbraw/zinc/43/66/49/1430436649.db2.gz XYHSKHXDMFECIH-UHFFFAOYSA-N 1 1 375.391 3.322 20 5 GGBDMO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000182248433 1430436650 /nfs/dbraw/zinc/43/66/50/1430436650.db2.gz XYHSKHXDMFECIH-UHFFFAOYSA-N 1 1 375.391 3.322 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000182263474 1430439328 /nfs/dbraw/zinc/43/93/28/1430439328.db2.gz FXDJQDPXZWMZOP-RDJZCZTQSA-N 1 1 392.839 3.141 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000182263458 1430439347 /nfs/dbraw/zinc/43/93/47/1430439347.db2.gz FXDJQDPXZWMZOP-WBVHZDCISA-N 1 1 392.839 3.141 20 5 GGBDMO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000182265333 1430439662 /nfs/dbraw/zinc/43/96/62/1430439662.db2.gz OUYVBXJUZCSAOD-KRWDZBQOSA-N 1 1 397.431 3.060 20 5 GGBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccc(F)cc1 ZINC000182301139 1430445089 /nfs/dbraw/zinc/44/50/89/1430445089.db2.gz QICGKVJHSGFPQE-UHFFFAOYSA-N 1 1 397.353 3.197 20 5 GGBDMO C[C@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182462924 1430471590 /nfs/dbraw/zinc/47/15/90/1430471590.db2.gz TYSREKGTUZBPAF-INIZCTEOSA-N 1 1 385.439 3.224 20 5 GGBDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182463176 1430471864 /nfs/dbraw/zinc/47/18/64/1430471864.db2.gz WMXYNZFYQJYNKX-SMDDNHRTSA-N 1 1 376.413 3.276 20 5 GGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000182750413 1430533326 /nfs/dbraw/zinc/53/33/26/1430533326.db2.gz KTUXOQPAQQGXHO-UHFFFAOYSA-N 1 1 389.318 3.338 20 5 GGBDMO Cc1cc(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000182764156 1430536199 /nfs/dbraw/zinc/53/61/99/1430536199.db2.gz ZQSOFVBMAXMHID-UXLLHSPISA-N 1 1 376.457 3.009 20 5 GGBDMO Cc1cc(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000182764156 1430536204 /nfs/dbraw/zinc/53/62/04/1430536204.db2.gz ZQSOFVBMAXMHID-UXLLHSPISA-N 1 1 376.457 3.009 20 5 GGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182819215 1430546043 /nfs/dbraw/zinc/54/60/43/1430546043.db2.gz DKYRYPYLFBANOW-LSDHHAIUSA-N 1 1 384.358 3.181 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000182881920 1430561331 /nfs/dbraw/zinc/56/13/31/1430561331.db2.gz QUDHYCQTBNGFSG-IBGZPJMESA-N 1 1 398.463 3.182 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182881893 1430561500 /nfs/dbraw/zinc/56/15/00/1430561500.db2.gz QUDHYCQTBNGFSG-LJQANCHMSA-N 1 1 398.463 3.182 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000183018738 1430594120 /nfs/dbraw/zinc/59/41/20/1430594120.db2.gz RIZUJNDZRYYUDZ-HOTGVXAUSA-N 1 1 395.525 3.143 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000183020204 1430594612 /nfs/dbraw/zinc/59/46/12/1430594612.db2.gz ZOYMDALDKVWQDJ-HZPDHXFCSA-N 1 1 395.525 3.143 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000183032245 1430597004 /nfs/dbraw/zinc/59/70/04/1430597004.db2.gz FKETYPYFJGMIMR-JKSUJKDBSA-N 1 1 395.525 3.143 20 5 GGBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183033497 1430597595 /nfs/dbraw/zinc/59/75/95/1430597595.db2.gz SPUXYZIGWOFTBO-HOCLYGCPSA-N 1 1 395.525 3.089 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183034551 1430597630 /nfs/dbraw/zinc/59/76/30/1430597630.db2.gz CTOLNYVIZPPXEG-JKSUJKDBSA-N 1 1 395.525 3.143 20 5 GGBDMO C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101278 1430613224 /nfs/dbraw/zinc/61/32/24/1430613224.db2.gz RSBNUFOFWSMULP-CABCVRRESA-N 1 1 375.469 3.204 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000183210116 1430649287 /nfs/dbraw/zinc/64/92/87/1430649287.db2.gz ABQPMGBXXYDKPG-MRXNPFEDSA-N 1 1 376.384 3.404 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000183210116 1430649292 /nfs/dbraw/zinc/64/92/92/1430649292.db2.gz ABQPMGBXXYDKPG-MRXNPFEDSA-N 1 1 376.384 3.404 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCOCC4(CCOCC4)C3)cs2)c1 ZINC000183272717 1430667167 /nfs/dbraw/zinc/66/71/67/1430667167.db2.gz OEPPRZMYQLSOFF-UHFFFAOYSA-N 1 1 389.477 3.347 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCOCC4(CCOCC4)C3)cs2)c1 ZINC000183272717 1430667169 /nfs/dbraw/zinc/66/71/69/1430667169.db2.gz OEPPRZMYQLSOFF-UHFFFAOYSA-N 1 1 389.477 3.347 20 5 GGBDMO COc1cc(C[NH2+][C@H](C)c2cnn(C)c2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000183423068 1430707712 /nfs/dbraw/zinc/70/77/12/1430707712.db2.gz XHVYLNJDLGECJR-SNVBAGLBSA-N 1 1 384.383 3.140 20 5 GGBDMO COc1cc(C[NH2+][C@@H](C)c2cnn(C)c2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000183423088 1430707895 /nfs/dbraw/zinc/70/78/95/1430707895.db2.gz XHVYLNJDLGECJR-JTQLQIEISA-N 1 1 384.383 3.140 20 5 GGBDMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000183479166 1430722354 /nfs/dbraw/zinc/72/23/54/1430722354.db2.gz XFSLHLMZVAIMKB-GFCCVEGCSA-N 1 1 391.399 3.349 20 5 GGBDMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000183490570 1430725988 /nfs/dbraw/zinc/72/59/88/1430725988.db2.gz SBEIQAZAMHJEEY-LBPRGKRZSA-N 1 1 391.399 3.065 20 5 GGBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183551074 1430740602 /nfs/dbraw/zinc/74/06/02/1430740602.db2.gz YUSQDHLTHAPQQE-QGZVFWFLSA-N 1 1 397.479 3.089 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183648570 1430763427 /nfs/dbraw/zinc/76/34/27/1430763427.db2.gz OXINTUZGLUMPBO-HNNXBMFYSA-N 1 1 375.473 3.498 20 5 GGBDMO COc1cc(C[NH2+][C@@H](CO)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183658305 1430765305 /nfs/dbraw/zinc/76/53/05/1430765305.db2.gz OULKSHMKUPODCH-AWEZNQCLSA-N 1 1 382.363 3.071 20 5 GGBDMO CC1([C@H]2CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)OCCO1 ZINC000183877112 1430807846 /nfs/dbraw/zinc/80/78/46/1430807846.db2.gz NHLVTTKBBPPQLZ-INIZCTEOSA-N 1 1 387.436 3.267 20 5 GGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183905735 1430811398 /nfs/dbraw/zinc/81/13/98/1430811398.db2.gz PUMAILXHBUANNX-STQMWFEESA-N 1 1 397.859 3.050 20 5 GGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183905735 1430811399 /nfs/dbraw/zinc/81/13/99/1430811399.db2.gz PUMAILXHBUANNX-STQMWFEESA-N 1 1 397.859 3.050 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183960672 1430819150 /nfs/dbraw/zinc/81/91/50/1430819150.db2.gz JTMHQOPRNXFNPQ-LBPRGKRZSA-N 1 1 378.454 3.124 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183960672 1430819153 /nfs/dbraw/zinc/81/91/53/1430819153.db2.gz JTMHQOPRNXFNPQ-LBPRGKRZSA-N 1 1 378.454 3.124 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H](C)c1nccs1 ZINC000183966035 1430819914 /nfs/dbraw/zinc/81/99/14/1430819914.db2.gz RYYAOFUSFSOQEG-RYUDHWBXSA-N 1 1 378.454 3.122 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000183966035 1430819916 /nfs/dbraw/zinc/81/99/16/1430819916.db2.gz RYYAOFUSFSOQEG-RYUDHWBXSA-N 1 1 378.454 3.122 20 5 GGBDMO C[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000184066876 1430836962 /nfs/dbraw/zinc/83/69/62/1430836962.db2.gz ZUAUONFKPWUGDK-AVYPCKFXSA-N 1 1 385.439 3.474 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184194340 1430854315 /nfs/dbraw/zinc/85/43/15/1430854315.db2.gz VXVYIPPVWXBMMD-GFCCVEGCSA-N 1 1 383.420 3.089 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184194340 1430854317 /nfs/dbraw/zinc/85/43/17/1430854317.db2.gz VXVYIPPVWXBMMD-GFCCVEGCSA-N 1 1 383.420 3.089 20 5 GGBDMO COc1cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184246508 1430861873 /nfs/dbraw/zinc/86/18/73/1430861873.db2.gz LKARMVMMOCDLJF-AWEZNQCLSA-N 1 1 393.459 3.213 20 5 GGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184258452 1430863451 /nfs/dbraw/zinc/86/34/51/1430863451.db2.gz UOTUOPPMVMHFNF-ZIAGYGMSSA-N 1 1 381.448 3.259 20 5 GGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184258452 1430863452 /nfs/dbraw/zinc/86/34/52/1430863452.db2.gz UOTUOPPMVMHFNF-ZIAGYGMSSA-N 1 1 381.448 3.259 20 5 GGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184258466 1430863529 /nfs/dbraw/zinc/86/35/29/1430863529.db2.gz UOTUOPPMVMHFNF-UONOGXRCSA-N 1 1 381.448 3.259 20 5 GGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184258466 1430863530 /nfs/dbraw/zinc/86/35/30/1430863530.db2.gz UOTUOPPMVMHFNF-UONOGXRCSA-N 1 1 381.448 3.259 20 5 GGBDMO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000184265044 1430864681 /nfs/dbraw/zinc/86/46/81/1430864681.db2.gz RCDUOVOGFLQUHZ-KZULUSFZSA-N 1 1 376.384 3.383 20 5 GGBDMO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000184265014 1430864787 /nfs/dbraw/zinc/86/47/87/1430864787.db2.gz RCDUOVOGFLQUHZ-XIKOKIGWSA-N 1 1 376.384 3.383 20 5 GGBDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184394971 1430882739 /nfs/dbraw/zinc/88/27/39/1430882739.db2.gz NSNHNDNMAGBLBV-WCQYABFASA-N 1 1 378.454 3.436 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000184480929 1430892700 /nfs/dbraw/zinc/89/27/00/1430892700.db2.gz MGLXIRXVPPIKEO-MRXNPFEDSA-N 1 1 391.468 3.286 20 5 GGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000184661431 1430933704 /nfs/dbraw/zinc/93/37/04/1430933704.db2.gz DHQOIPBIOFMVLB-QUCCMNQESA-N 1 1 391.512 3.027 20 5 GGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000184702053 1430946821 /nfs/dbraw/zinc/94/68/21/1430946821.db2.gz RRUBXHJXMXVUMV-SFHVURJKSA-N 1 1 393.447 3.369 20 5 GGBDMO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000184906075 1431018227 /nfs/dbraw/zinc/01/82/27/1431018227.db2.gz ICMVQUWMQBVPNG-HOCLYGCPSA-N 1 1 383.404 3.340 20 5 GGBDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000184906134 1431018350 /nfs/dbraw/zinc/01/83/50/1431018350.db2.gz ICMVQUWMQBVPNG-GDBMZVCRSA-N 1 1 383.404 3.340 20 5 GGBDMO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000184906115 1431018375 /nfs/dbraw/zinc/01/83/75/1431018375.db2.gz ICMVQUWMQBVPNG-GOEBONIOSA-N 1 1 383.404 3.340 20 5 GGBDMO CCC(CC)[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000184920611 1431021511 /nfs/dbraw/zinc/02/15/11/1431021511.db2.gz GZJPBDUZQHXNND-LIRRHRJNSA-N 1 1 395.475 3.091 20 5 GGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185099578 1431061178 /nfs/dbraw/zinc/06/11/78/1431061178.db2.gz YCBPREUIYTWGLC-JZXOWHBKSA-N 1 1 391.512 3.168 20 5 GGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185099578 1431061181 /nfs/dbraw/zinc/06/11/81/1431061181.db2.gz YCBPREUIYTWGLC-JZXOWHBKSA-N 1 1 391.512 3.168 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000185322742 1431113608 /nfs/dbraw/zinc/11/36/08/1431113608.db2.gz TZFFVQDNJSMOQL-DZGCQCFKSA-N 1 1 378.375 3.102 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000185336107 1431118625 /nfs/dbraw/zinc/11/86/25/1431118625.db2.gz YISDRWWAAIUAAZ-BDJLRTHQSA-N 1 1 390.465 3.436 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000185336091 1431118681 /nfs/dbraw/zinc/11/86/81/1431118681.db2.gz YISDRWWAAIUAAZ-ZBEGNZNMSA-N 1 1 390.465 3.436 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(O)(c4ccccc4)CC3)n2)c1 ZINC000185464400 1431151013 /nfs/dbraw/zinc/15/10/13/1431151013.db2.gz JDUVSZHVFPGPPS-UHFFFAOYSA-N 1 1 380.404 3.128 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185483718 1431155013 /nfs/dbraw/zinc/15/50/13/1431155013.db2.gz PIRKDUXMFNXVEH-OAHLLOKOSA-N 1 1 388.493 3.282 20 5 GGBDMO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000185649781 1431195703 /nfs/dbraw/zinc/19/57/03/1431195703.db2.gz OJGNEYTYSVBAOO-GFCCVEGCSA-N 1 1 378.812 3.478 20 5 GGBDMO C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720138 1431214857 /nfs/dbraw/zinc/21/48/57/1431214857.db2.gz BUGJBKLJDNVZDL-GDBMZVCRSA-N 1 1 385.468 3.387 20 5 GGBDMO C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185752131 1431224479 /nfs/dbraw/zinc/22/44/79/1431224479.db2.gz ZZEQVQWVQMVEND-KGLIPLIRSA-N 1 1 394.903 3.429 20 5 GGBDMO C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185752089 1431224513 /nfs/dbraw/zinc/22/45/13/1431224513.db2.gz ZZEQVQWVQMVEND-ZIAGYGMSSA-N 1 1 394.903 3.429 20 5 GGBDMO CCOC(=O)N1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000185771146 1431230693 /nfs/dbraw/zinc/23/06/93/1431230693.db2.gz VASNWXGDWNKQNZ-CYBMUJFWSA-N 1 1 376.438 3.039 20 5 GGBDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000185877470 1431259979 /nfs/dbraw/zinc/25/99/79/1431259979.db2.gz ZFNBFIOXIPCLPN-INIZCTEOSA-N 1 1 388.537 3.439 20 5 GGBDMO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000185894291 1431267062 /nfs/dbraw/zinc/26/70/62/1431267062.db2.gz QMNUCOAVUUNCNS-MSOLQXFVSA-N 1 1 388.855 3.493 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185969048 1431300802 /nfs/dbraw/zinc/30/08/02/1431300802.db2.gz QKLHUUGOEGMBTH-MRXNPFEDSA-N 1 1 395.525 3.260 20 5 GGBDMO CSc1cccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000186027143 1431313571 /nfs/dbraw/zinc/31/35/71/1431313571.db2.gz BWOWJRJWVZFTSH-UHFFFAOYSA-N 1 1 385.489 3.317 20 5 GGBDMO CSc1cccc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000186114099 1431333534 /nfs/dbraw/zinc/33/35/34/1431333534.db2.gz WNRMCJJYPSBWMX-CQSZACIVSA-N 1 1 385.489 3.493 20 5 GGBDMO CC[C@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000186414576 1431409773 /nfs/dbraw/zinc/40/97/73/1431409773.db2.gz SQVMLTAFGFJJMT-SFHVURJKSA-N 1 1 383.448 3.340 20 5 GGBDMO CC[C@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000186414576 1431409782 /nfs/dbraw/zinc/40/97/82/1431409782.db2.gz SQVMLTAFGFJJMT-SFHVURJKSA-N 1 1 383.448 3.340 20 5 GGBDMO CNC(=O)c1ccc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000186417143 1431410269 /nfs/dbraw/zinc/41/02/69/1431410269.db2.gz YDOPJZYPYOJASN-HXUWFJFHSA-N 1 1 382.464 3.277 20 5 GGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CC1 ZINC000186417028 1431410847 /nfs/dbraw/zinc/41/08/47/1431410847.db2.gz JBDDBYSADJFVLH-FQEVSTJZSA-N 1 1 393.447 3.154 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000186554047 1431452343 /nfs/dbraw/zinc/45/23/43/1431452343.db2.gz YJWBCLYZVRIJGZ-UHFFFAOYSA-N 1 1 381.436 3.253 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)n2)c1 ZINC000186698649 1431494954 /nfs/dbraw/zinc/49/49/54/1431494954.db2.gz AZZMDHWALPVZEG-FQEVSTJZSA-N 1 1 378.388 3.276 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)n2)c1 ZINC000186698649 1431494960 /nfs/dbraw/zinc/49/49/60/1431494960.db2.gz AZZMDHWALPVZEG-FQEVSTJZSA-N 1 1 378.388 3.276 20 5 GGBDMO COc1ccc2nc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)sc2c1 ZINC000187262357 1431671641 /nfs/dbraw/zinc/67/16/41/1431671641.db2.gz ZHQBBAKODQIEHF-GFCCVEGCSA-N 1 1 385.449 3.295 20 5 GGBDMO COc1ccc2nc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)sc2c1 ZINC000187262357 1431671657 /nfs/dbraw/zinc/67/16/57/1431671657.db2.gz ZHQBBAKODQIEHF-GFCCVEGCSA-N 1 1 385.449 3.295 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000187327839 1431698405 /nfs/dbraw/zinc/69/84/05/1431698405.db2.gz UDUOBAGKONULGX-LJQANCHMSA-N 1 1 385.464 3.490 20 5 GGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1Cc1ccccc1 ZINC000187359518 1431708061 /nfs/dbraw/zinc/70/80/61/1431708061.db2.gz ONGULKCDTUZNHO-NVXWUHKLSA-N 1 1 382.464 3.302 20 5 GGBDMO CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000187810206 1431814933 /nfs/dbraw/zinc/81/49/33/1431814933.db2.gz WVCQFNVORLTQGJ-UHFFFAOYSA-N 1 1 384.436 3.471 20 5 GGBDMO CSc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000188246648 1431865426 /nfs/dbraw/zinc/86/54/26/1431865426.db2.gz KHCPVHUVFFCYCW-XJKSGUPXSA-N 1 1 375.494 3.406 20 5 GGBDMO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188288540 1431870048 /nfs/dbraw/zinc/87/00/48/1431870048.db2.gz BUJXTBCOYZRMKL-HXUWFJFHSA-N 1 1 389.883 3.317 20 5 GGBDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000188325005 1431873374 /nfs/dbraw/zinc/87/33/74/1431873374.db2.gz VEHXEXZCWVAVLV-HNNXBMFYSA-N 1 1 389.477 3.328 20 5 GGBDMO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc([N+](=O)[O-])c1C ZINC000188428292 1431883417 /nfs/dbraw/zinc/88/34/17/1431883417.db2.gz FLKRVAKGQWCPFE-GFCCVEGCSA-N 1 1 389.477 3.150 20 5 GGBDMO COc1cc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc([N+](=O)[O-])c1C ZINC000188428292 1431883418 /nfs/dbraw/zinc/88/34/18/1431883418.db2.gz FLKRVAKGQWCPFE-GFCCVEGCSA-N 1 1 389.477 3.150 20 5 GGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188741457 1431954262 /nfs/dbraw/zinc/95/42/62/1431954262.db2.gz WPGVMIGMXRTUCU-CQSZACIVSA-N 1 1 395.525 3.013 20 5 GGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188741457 1431954271 /nfs/dbraw/zinc/95/42/71/1431954271.db2.gz WPGVMIGMXRTUCU-CQSZACIVSA-N 1 1 395.525 3.013 20 5 GGBDMO C[N@@H+](CCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Cc1ccc(F)cc1 ZINC000189264575 1432074356 /nfs/dbraw/zinc/07/43/56/1432074356.db2.gz YHZCJHLHTLOXFM-UHFFFAOYSA-N 1 1 382.395 3.090 20 5 GGBDMO CC(=O)N1CC[NH+](Cc2cccc(NCc3ccc(C)c([N+](=O)[O-])c3)c2)CC1 ZINC000189520107 1432146194 /nfs/dbraw/zinc/14/61/94/1432146194.db2.gz HXNRLMYPWYVCOL-UHFFFAOYSA-N 1 1 382.464 3.179 20 5 GGBDMO CC[C@](C)(O)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000189731926 1432217418 /nfs/dbraw/zinc/21/74/18/1432217418.db2.gz XKGBXKBJZPLIRH-QFIPXVFZSA-N 1 1 397.475 3.147 20 5 GGBDMO CC[C@@](C)(O)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000189731945 1432217470 /nfs/dbraw/zinc/21/74/70/1432217470.db2.gz XKGBXKBJZPLIRH-JOCHJYFZSA-N 1 1 397.475 3.147 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000190048603 1432310856 /nfs/dbraw/zinc/31/08/56/1432310856.db2.gz ZGEMIKISANKVDJ-KXBFYZLASA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc([N+](=O)[O-])c1C ZINC000190107842 1432321051 /nfs/dbraw/zinc/32/10/51/1432321051.db2.gz MRQAEPNSTBUDER-HUUCEWRRSA-N 1 1 375.469 3.295 20 5 GGBDMO CC(C)c1ccc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000190272171 1432351607 /nfs/dbraw/zinc/35/16/07/1432351607.db2.gz AKMYVXIXZUJFSC-UHFFFAOYSA-N 1 1 377.485 3.149 20 5 GGBDMO CC(C)c1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000190488094 1432391073 /nfs/dbraw/zinc/39/10/73/1432391073.db2.gz RWVXNPFDPBOLAH-IBGZPJMESA-N 1 1 397.475 3.215 20 5 GGBDMO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000191053923 1432558040 /nfs/dbraw/zinc/55/80/40/1432558040.db2.gz GNYAOJDPKLEGRH-UHFFFAOYSA-N 1 1 393.465 3.246 20 5 GGBDMO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000191055317 1432558659 /nfs/dbraw/zinc/55/86/59/1432558659.db2.gz HVAWHNAWVRGBBN-UHFFFAOYSA-N 1 1 393.465 3.246 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000191185617 1432585250 /nfs/dbraw/zinc/58/52/50/1432585250.db2.gz XQILRWSSLRIHCA-DNVCBOLYSA-N 1 1 386.448 3.385 20 5 GGBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000191186999 1432585807 /nfs/dbraw/zinc/58/58/07/1432585807.db2.gz XYSDQRBWBSIEMJ-ALKREAHSSA-N 1 1 385.420 3.066 20 5 GGBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000191186966 1432586153 /nfs/dbraw/zinc/58/61/53/1432586153.db2.gz XYSDQRBWBSIEMJ-OGWOLHLISA-N 1 1 385.420 3.066 20 5 GGBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000191245510 1432603566 /nfs/dbraw/zinc/60/35/66/1432603566.db2.gz NPXIEPBOQFRTFS-SFHVURJKSA-N 1 1 397.475 3.206 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191341507 1432636880 /nfs/dbraw/zinc/63/68/80/1432636880.db2.gz IMZOWNXRBAEXTF-BBWFWOEESA-N 1 1 390.484 3.317 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191341507 1432636888 /nfs/dbraw/zinc/63/68/88/1432636888.db2.gz IMZOWNXRBAEXTF-BBWFWOEESA-N 1 1 390.484 3.317 20 5 GGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191472164 1432667330 /nfs/dbraw/zinc/66/73/30/1432667330.db2.gz BYQLXHOFVMRERV-SFHVURJKSA-N 1 1 385.464 3.421 20 5 GGBDMO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191472055 1432667627 /nfs/dbraw/zinc/66/76/27/1432667627.db2.gz VDCABUPAOJDKIZ-SFHVURJKSA-N 1 1 382.420 3.334 20 5 GGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191472055 1432667632 /nfs/dbraw/zinc/66/76/32/1432667632.db2.gz VDCABUPAOJDKIZ-SFHVURJKSA-N 1 1 382.420 3.334 20 5 GGBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191517669 1432677528 /nfs/dbraw/zinc/67/75/28/1432677528.db2.gz GVAYXUNIIDETBY-UHFFFAOYSA-N 1 1 384.440 3.316 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000191657216 1432700927 /nfs/dbraw/zinc/70/09/27/1432700927.db2.gz YMVPPNWGAKGPGU-AWEZNQCLSA-N 1 1 384.436 3.205 20 5 GGBDMO Cc1cc(C)c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000192135203 1432804364 /nfs/dbraw/zinc/80/43/64/1432804364.db2.gz DYQBISTXIPZYDF-HZPDHXFCSA-N 1 1 395.525 3.143 20 5 GGBDMO CCCn1cc[nH+]c1CCCN(C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000192236037 1432820669 /nfs/dbraw/zinc/82/06/69/1432820669.db2.gz VIIYJCNMWMHWLK-UHFFFAOYSA-N 1 1 385.468 3.163 20 5 GGBDMO COc1c(C)c[nH+]c(CN2CCC(N(C)c3ncc([N+](=O)[O-])s3)CC2)c1C ZINC000192450509 1432846187 /nfs/dbraw/zinc/84/61/87/1432846187.db2.gz OOXMHXLYJAJMSR-UHFFFAOYSA-N 1 1 391.497 3.173 20 5 GGBDMO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000192468173 1432848402 /nfs/dbraw/zinc/84/84/02/1432848402.db2.gz WRZRKRYZBMLKCO-CQSZACIVSA-N 1 1 389.477 3.307 20 5 GGBDMO CC(C)CCSc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192505644 1432852487 /nfs/dbraw/zinc/85/24/87/1432852487.db2.gz NHYKUADSLZGLJQ-IYBDPMFKSA-N 1 1 377.510 3.367 20 5 GGBDMO COc1cccc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000192657681 1432872146 /nfs/dbraw/zinc/87/21/46/1432872146.db2.gz BZWLUHCNDYMDES-INIZCTEOSA-N 1 1 383.448 3.340 20 5 GGBDMO COc1cc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000192918038 1432907530 /nfs/dbraw/zinc/90/75/30/1432907530.db2.gz WMURWTFGSYXMNA-KRWDZBQOSA-N 1 1 385.464 3.224 20 5 GGBDMO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192959191 1432913413 /nfs/dbraw/zinc/91/34/13/1432913413.db2.gz IMFZZIASKSQIFA-INIZCTEOSA-N 1 1 384.436 3.101 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000193400782 1432991530 /nfs/dbraw/zinc/99/15/30/1432991530.db2.gz WJFIOGYAJVIXQD-UHFFFAOYSA-N 1 1 378.473 3.057 20 5 GGBDMO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193635927 1433031745 /nfs/dbraw/zinc/03/17/45/1433031745.db2.gz OZMHEAKKDQNHNB-UHFFFAOYSA-N 1 1 384.392 3.354 20 5 GGBDMO COC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000193687379 1433040833 /nfs/dbraw/zinc/04/08/33/1433040833.db2.gz RABHTKKOPZAVHS-QGZVFWFLSA-N 1 1 377.828 3.188 20 5 GGBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC000193691302 1433041393 /nfs/dbraw/zinc/04/13/93/1433041393.db2.gz RCAZCJLTZCUPPQ-KRWDZBQOSA-N 1 1 377.828 3.472 20 5 GGBDMO CCOC(=O)c1ccnc(SCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000193744331 1433050869 /nfs/dbraw/zinc/05/08/69/1433050869.db2.gz GXWUHTPEIZHJKF-UHFFFAOYSA-N 1 1 375.450 3.391 20 5 GGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193774440 1433056845 /nfs/dbraw/zinc/05/68/45/1433056845.db2.gz HVDVFHVXTYTNJZ-KRWDZBQOSA-N 1 1 385.489 3.325 20 5 GGBDMO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000193798596 1433062122 /nfs/dbraw/zinc/06/21/22/1433062122.db2.gz DPOICAHTPMGWOZ-RDJZCZTQSA-N 1 1 385.439 3.476 20 5 GGBDMO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193839842 1433070487 /nfs/dbraw/zinc/07/04/87/1433070487.db2.gz XVFYRKFPBUHHCP-INIZCTEOSA-N 1 1 398.419 3.063 20 5 GGBDMO Cc1c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193839858 1433070598 /nfs/dbraw/zinc/07/05/98/1433070598.db2.gz XVFYRKFPBUHHCP-MRXNPFEDSA-N 1 1 398.419 3.063 20 5 GGBDMO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@H+]1CCc2sccc2C1 ZINC000193854475 1433073645 /nfs/dbraw/zinc/07/36/45/1433073645.db2.gz GSSZMGQWBITBJA-GFCCVEGCSA-N 1 1 386.477 3.400 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000193999155 1433098547 /nfs/dbraw/zinc/09/85/47/1433098547.db2.gz MLDWUXZDGPMTFE-NSHDSACASA-N 1 1 382.367 3.308 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000194029430 1433103770 /nfs/dbraw/zinc/10/37/70/1433103770.db2.gz ZDLWJZDSKROUDL-LBPRGKRZSA-N 1 1 390.362 3.209 20 5 GGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000194047267 1433107061 /nfs/dbraw/zinc/10/70/61/1433107061.db2.gz AADVJOQEUXLEAU-QGZVFWFLSA-N 1 1 379.413 3.053 20 5 GGBDMO COc1cccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000194184325 1433133901 /nfs/dbraw/zinc/13/39/01/1433133901.db2.gz WAQHWSKSEOCDOJ-UHFFFAOYSA-N 1 1 387.461 3.405 20 5 GGBDMO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000194325354 1433161713 /nfs/dbraw/zinc/16/17/13/1433161713.db2.gz NAMLGQRIENMOJL-INIZCTEOSA-N 1 1 375.469 3.378 20 5 GGBDMO CC(C)CCOC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000194340501 1433164173 /nfs/dbraw/zinc/16/41/73/1433164173.db2.gz AILWCIAFXSZVEL-UHFFFAOYSA-N 1 1 375.469 3.011 20 5 GGBDMO COc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000194442641 1433179015 /nfs/dbraw/zinc/17/90/15/1433179015.db2.gz MHZPUMRXPHUUHX-INIZCTEOSA-N 1 1 383.448 3.340 20 5 GGBDMO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000194554222 1433196366 /nfs/dbraw/zinc/19/63/66/1433196366.db2.gz LZMAXLGDUZDQIV-OAHLLOKOSA-N 1 1 383.448 3.386 20 5 GGBDMO COc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000194614663 1433205493 /nfs/dbraw/zinc/20/54/93/1433205493.db2.gz FZSSTOZQZNWWRB-WBVHZDCISA-N 1 1 383.448 3.386 20 5 GGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000194716416 1433219092 /nfs/dbraw/zinc/21/90/92/1433219092.db2.gz KXDDOLGIAKWXTF-UHFFFAOYSA-N 1 1 389.383 3.212 20 5 GGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194751471 1433224582 /nfs/dbraw/zinc/22/45/82/1433224582.db2.gz AIOGJNYEZUAZRH-LJQANCHMSA-N 1 1 396.491 3.425 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194809202 1433237298 /nfs/dbraw/zinc/23/72/98/1433237298.db2.gz KPIQPODMJODGKR-CALCHBBNSA-N 1 1 389.496 3.255 20 5 GGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OCC ZINC000194829632 1433243190 /nfs/dbraw/zinc/24/31/90/1433243190.db2.gz NVIBJJMUTDCFGN-ZDUSSCGKSA-N 1 1 387.436 3.342 20 5 GGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194853461 1433248912 /nfs/dbraw/zinc/24/89/12/1433248912.db2.gz MRTYPXHIRRUAKJ-YWZLYKJASA-N 1 1 391.468 3.141 20 5 GGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194853448 1433248923 /nfs/dbraw/zinc/24/89/23/1433248923.db2.gz MRTYPXHIRRUAKJ-MGPUTAFESA-N 1 1 391.468 3.141 20 5 GGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000194865322 1433251716 /nfs/dbraw/zinc/25/17/16/1433251716.db2.gz WFKIROIJAINAOG-HXUWFJFHSA-N 1 1 391.468 3.143 20 5 GGBDMO COc1cccc(C2CC[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000194878570 1433254899 /nfs/dbraw/zinc/25/48/99/1433254899.db2.gz FRQKFNWEDYFEOT-UHFFFAOYSA-N 1 1 395.459 3.372 20 5 GGBDMO COc1cccc(C2CC[NH+](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000194883594 1433256623 /nfs/dbraw/zinc/25/66/23/1433256623.db2.gz OKURRYCNDDWDJL-UHFFFAOYSA-N 1 1 399.447 3.430 20 5 GGBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000195137245 1433297844 /nfs/dbraw/zinc/29/78/44/1433297844.db2.gz FPFUYMUIJSYILO-UHFFFAOYSA-N 1 1 390.443 3.288 20 5 GGBDMO COc1cc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000195268203 1433313638 /nfs/dbraw/zinc/31/36/38/1433313638.db2.gz VTAFZYIMDBPJJG-UHFFFAOYSA-N 1 1 383.448 3.170 20 5 GGBDMO Cc1cc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000195660875 1433343983 /nfs/dbraw/zinc/34/39/83/1433343983.db2.gz OPAYFDNKMJIJCD-UHFFFAOYSA-N 1 1 376.457 3.060 20 5 GGBDMO Cc1cc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc([N+](=O)[O-])c1 ZINC000195694066 1433344957 /nfs/dbraw/zinc/34/49/57/1433344957.db2.gz BILGSYQHMLHVMK-CALCHBBNSA-N 1 1 397.475 3.442 20 5 GGBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000216733161 1433364066 /nfs/dbraw/zinc/36/40/66/1433364066.db2.gz NGCXKWFDHFMRIU-GOSISDBHSA-N 1 1 388.855 3.175 20 5 GGBDMO C[N@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000216733161 1433364069 /nfs/dbraw/zinc/36/40/69/1433364069.db2.gz NGCXKWFDHFMRIU-GOSISDBHSA-N 1 1 388.855 3.175 20 5 GGBDMO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000226491432 1433368662 /nfs/dbraw/zinc/36/86/62/1433368662.db2.gz HDOXYJVTSFWKGJ-QZTJIDSGSA-N 1 1 391.515 3.391 20 5 GGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000227413614 1433369798 /nfs/dbraw/zinc/36/97/98/1433369798.db2.gz SJLLPGBNVQMVMG-MSOLQXFVSA-N 1 1 391.515 3.391 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000228169736 1433370952 /nfs/dbraw/zinc/37/09/52/1433370952.db2.gz VREBHNUHJDBLKK-CTNGQTDRSA-N 1 1 386.448 3.016 20 5 GGBDMO COCCN1CCC([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000237125554 1433389918 /nfs/dbraw/zinc/38/99/18/1433389918.db2.gz KVUSEXUHKQFIPR-UHFFFAOYSA-N 1 1 389.452 3.064 20 5 GGBDMO COc1cc(CNC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])cc1O ZINC000237421999 1433402564 /nfs/dbraw/zinc/40/25/64/1433402564.db2.gz ZUJLDTHJVBJROC-FQEVSTJZSA-N 1 1 399.491 3.482 20 5 GGBDMO COc1cc(CNC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])cc1O ZINC000237421999 1433402566 /nfs/dbraw/zinc/40/25/66/1433402566.db2.gz ZUJLDTHJVBJROC-FQEVSTJZSA-N 1 1 399.491 3.482 20 5 GGBDMO COc1cc(CNC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])cc1O ZINC000237447570 1433403768 /nfs/dbraw/zinc/40/37/68/1433403768.db2.gz ZUJLDTHJVBJROC-HXUWFJFHSA-N 1 1 399.491 3.482 20 5 GGBDMO COc1cc(CNC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])cc1O ZINC000237447570 1433403772 /nfs/dbraw/zinc/40/37/72/1433403772.db2.gz ZUJLDTHJVBJROC-HXUWFJFHSA-N 1 1 399.491 3.482 20 5 GGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245426073 1433465737 /nfs/dbraw/zinc/46/57/37/1433465737.db2.gz FPRZUGREWPWMDL-YPMHNXCESA-N 1 1 384.383 3.287 20 5 GGBDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245445307 1433469180 /nfs/dbraw/zinc/46/91/80/1433469180.db2.gz KGLAKKMNOMHJOR-JKSUJKDBSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245445307 1433469184 /nfs/dbraw/zinc/46/91/84/1433469184.db2.gz KGLAKKMNOMHJOR-JKSUJKDBSA-N 1 1 383.452 3.120 20 5 GGBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245679432 1433498472 /nfs/dbraw/zinc/49/84/72/1433498472.db2.gz GULKJUNFBHMWDY-WOJBJXKFSA-N 1 1 388.512 3.004 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000245679487 1433498501 /nfs/dbraw/zinc/49/85/01/1433498501.db2.gz MEEMGNUJLJUHAU-LSDHHAIUSA-N 1 1 395.525 3.184 20 5 GGBDMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245702971 1433502439 /nfs/dbraw/zinc/50/24/39/1433502439.db2.gz NPPODXSCPIOPMJ-MEDUHNTESA-N 1 1 381.791 3.403 20 5 GGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245702971 1433502443 /nfs/dbraw/zinc/50/24/43/1433502443.db2.gz NPPODXSCPIOPMJ-MEDUHNTESA-N 1 1 381.791 3.403 20 5 GGBDMO COc1cc2c(c(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c1)O[C@@H](C)C2 ZINC000245716265 1433505046 /nfs/dbraw/zinc/50/50/46/1433505046.db2.gz HAFDWKMUZVHWTE-XJKSGUPXSA-N 1 1 384.436 3.008 20 5 GGBDMO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245720907 1433505701 /nfs/dbraw/zinc/50/57/01/1433505701.db2.gz PRUPNLMUFLJKIT-VQTJNVASSA-N 1 1 388.512 3.004 20 5 GGBDMO O=C1CC[C@H]2C[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]2N1C1CC1 ZINC000245788884 1433517636 /nfs/dbraw/zinc/51/76/36/1433517636.db2.gz NJDSVDGPBORHLR-HNAYVOBHSA-N 1 1 396.447 3.225 20 5 GGBDMO O=C1CC[C@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]2N1C1CC1 ZINC000245788884 1433517637 /nfs/dbraw/zinc/51/76/37/1433517637.db2.gz NJDSVDGPBORHLR-HNAYVOBHSA-N 1 1 396.447 3.225 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](C[C@H]3CCCO3)[C@H]3CCSC3)n2)c1 ZINC000245834565 1433523828 /nfs/dbraw/zinc/52/38/28/1433523828.db2.gz GVWMKLDLOFGBPH-JKSUJKDBSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](C[C@H]3CCCO3)[C@H]3CCSC3)n2)c1 ZINC000245834565 1433523832 /nfs/dbraw/zinc/52/38/32/1433523832.db2.gz GVWMKLDLOFGBPH-JKSUJKDBSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](C[C@H]3CCCO3)[C@H]3CCSC3)n2)cc1 ZINC000245878412 1433532544 /nfs/dbraw/zinc/53/25/44/1433532544.db2.gz MZEAATCVDRRUFV-JKSUJKDBSA-N 1 1 390.465 3.131 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](C[C@H]3CCCO3)[C@H]3CCSC3)n2)cc1 ZINC000245878412 1433532550 /nfs/dbraw/zinc/53/25/50/1433532550.db2.gz MZEAATCVDRRUFV-JKSUJKDBSA-N 1 1 390.465 3.131 20 5 GGBDMO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245898634 1433536967 /nfs/dbraw/zinc/53/69/67/1433536967.db2.gz DHVRTEAAFKPXOL-DZGCQCFKSA-N 1 1 399.438 3.163 20 5 GGBDMO COc1ccc([C@H]2CC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)cc1 ZINC000246018434 1433558403 /nfs/dbraw/zinc/55/84/03/1433558403.db2.gz KJJHHYVHWIVHOL-JXFKEZNVSA-N 1 1 381.432 3.198 20 5 GGBDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000246095163 1433567974 /nfs/dbraw/zinc/56/79/74/1433567974.db2.gz ALWXAKOITAQGQN-JKSUJKDBSA-N 1 1 383.452 3.120 20 5 GGBDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000246095163 1433567978 /nfs/dbraw/zinc/56/79/78/1433567978.db2.gz ALWXAKOITAQGQN-JKSUJKDBSA-N 1 1 383.452 3.120 20 5 GGBDMO O=C(NC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000246245129 1433586003 /nfs/dbraw/zinc/58/60/03/1433586003.db2.gz IHLMQIXLSIQVBF-WOJBJXKFSA-N 1 1 398.463 3.304 20 5 GGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000246256946 1433586984 /nfs/dbraw/zinc/58/69/84/1433586984.db2.gz KLLRJNSRSFJSTA-LPHOPBHVSA-N 1 1 386.496 3.141 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000246270380 1433588263 /nfs/dbraw/zinc/58/82/63/1433588263.db2.gz AVWKEWIMWUMHSG-IAGOWNOFSA-N 1 1 388.512 3.387 20 5 GGBDMO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000246272660 1433588354 /nfs/dbraw/zinc/58/83/54/1433588354.db2.gz BAACLAODPQSQIO-HNAYVOBHSA-N 1 1 399.447 3.324 20 5 GGBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000246272660 1433588356 /nfs/dbraw/zinc/58/83/56/1433588356.db2.gz BAACLAODPQSQIO-HNAYVOBHSA-N 1 1 399.447 3.324 20 5 GGBDMO O=C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246280661 1433589209 /nfs/dbraw/zinc/58/92/09/1433589209.db2.gz AWVYBDOIXFTDCX-GUYCJALGSA-N 1 1 392.887 3.135 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246285120 1433589827 /nfs/dbraw/zinc/58/98/27/1433589827.db2.gz CQFCUFXIEJZSCM-IAGOWNOFSA-N 1 1 395.525 3.178 20 5 GGBDMO COc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000246314369 1433593539 /nfs/dbraw/zinc/59/35/39/1433593539.db2.gz GJWUNCHZJNMSOU-JKSUJKDBSA-N 1 1 375.469 3.330 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000246333751 1433596440 /nfs/dbraw/zinc/59/64/40/1433596440.db2.gz IKDHZCDOJZWGES-HUUCEWRRSA-N 1 1 399.488 3.009 20 5 GGBDMO COc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000246377446 1433603399 /nfs/dbraw/zinc/60/33/99/1433603399.db2.gz MJFJGMNTMFWYTJ-HZPDHXFCSA-N 1 1 375.469 3.330 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246393424 1433606294 /nfs/dbraw/zinc/60/62/94/1433606294.db2.gz SNCHGJPYICDTJS-RDJZCZTQSA-N 1 1 392.500 3.470 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246535478 1433626701 /nfs/dbraw/zinc/62/67/01/1433626701.db2.gz JOSJGTVTQDXKFQ-YRNRMSPPSA-N 1 1 386.496 3.179 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246688530 1433650273 /nfs/dbraw/zinc/65/02/73/1433650273.db2.gz CWIFBTIQEPDIBV-XJKSGUPXSA-N 1 1 383.876 3.115 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)C1 ZINC000246692339 1433650777 /nfs/dbraw/zinc/65/07/77/1433650777.db2.gz DFDYMZWKXZKTTM-GOEBONIOSA-N 1 1 390.484 3.028 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000246778494 1433664813 /nfs/dbraw/zinc/66/48/13/1433664813.db2.gz PWAQZBHNQJUQJY-NRFANRHFSA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000246778494 1433664819 /nfs/dbraw/zinc/66/48/19/1433664819.db2.gz PWAQZBHNQJUQJY-NRFANRHFSA-N 1 1 396.491 3.012 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246856852 1433678926 /nfs/dbraw/zinc/67/89/26/1433678926.db2.gz CJYZVFBKDQKGHQ-JYJNAYRXSA-N 1 1 392.500 3.151 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000246909976 1433685850 /nfs/dbraw/zinc/68/58/50/1433685850.db2.gz VSZBXVLYUKIAFS-SUMWQHHRSA-N 1 1 383.876 3.115 20 5 GGBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000247356300 1433712887 /nfs/dbraw/zinc/71/28/87/1433712887.db2.gz JXVKBGOUONZAMG-JZXOWHBKSA-N 1 1 388.512 3.243 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247379248 1433715301 /nfs/dbraw/zinc/71/53/01/1433715301.db2.gz LARWHKBKBFRXKF-YPGOJHLTSA-N 1 1 381.476 3.410 20 5 GGBDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000247414013 1433719362 /nfs/dbraw/zinc/71/93/62/1433719362.db2.gz CSWQRZHCTSQXKN-PBHICJAKSA-N 1 1 377.466 3.109 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000247673929 1433746203 /nfs/dbraw/zinc/74/62/03/1433746203.db2.gz YWVZKKYRFAULQB-JIPZTSHUSA-N 1 1 397.475 3.490 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000247776822 1433750488 /nfs/dbraw/zinc/75/04/88/1433750488.db2.gz WYQVTFFTEWBCGK-IUODEOHRSA-N 1 1 396.394 3.484 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000247776822 1433750496 /nfs/dbraw/zinc/75/04/96/1433750496.db2.gz WYQVTFFTEWBCGK-IUODEOHRSA-N 1 1 396.394 3.484 20 5 GGBDMO Nc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000248064549 1433767507 /nfs/dbraw/zinc/76/75/07/1433767507.db2.gz MCFQRRYDAMJVRS-IEBWSBKVSA-N 1 1 394.475 3.304 20 5 GGBDMO C[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](c2ccccc2)C1 ZINC000248395639 1433795405 /nfs/dbraw/zinc/79/54/05/1433795405.db2.gz GJHVNALGMIVUOM-GOSISDBHSA-N 1 1 379.420 3.134 20 5 GGBDMO C[N@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](c2ccccc2)C1 ZINC000248395639 1433795415 /nfs/dbraw/zinc/79/54/15/1433795415.db2.gz GJHVNALGMIVUOM-GOSISDBHSA-N 1 1 379.420 3.134 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000248428972 1433802025 /nfs/dbraw/zinc/80/20/25/1433802025.db2.gz PVTSYCZBCRSKQG-IAGOWNOFSA-N 1 1 395.525 3.011 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000248459475 1433804684 /nfs/dbraw/zinc/80/46/84/1433804684.db2.gz NRDAINNVWJBENU-HZPDHXFCSA-N 1 1 397.431 3.355 20 5 GGBDMO O=C(C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000248461051 1433804688 /nfs/dbraw/zinc/80/46/88/1433804688.db2.gz OTQDKTGINXAPJT-GJZGRUSLSA-N 1 1 390.461 3.133 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000248469133 1433805369 /nfs/dbraw/zinc/80/53/69/1433805369.db2.gz UNZSRMYIEGTGEX-LSDHHAIUSA-N 1 1 392.839 3.141 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000248635745 1433812907 /nfs/dbraw/zinc/81/29/07/1433812907.db2.gz KFTZXCWGWVRGOO-DLBZAZTESA-N 1 1 392.500 3.470 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000248773744 1433821771 /nfs/dbraw/zinc/82/17/71/1433821771.db2.gz HLJGSNOLIDMAGY-HNAYVOBHSA-N 1 1 390.443 3.393 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000248773734 1433821801 /nfs/dbraw/zinc/82/18/01/1433821801.db2.gz HLJGSNOLIDMAGY-DNVCBOLYSA-N 1 1 390.443 3.393 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000248820238 1433823849 /nfs/dbraw/zinc/82/38/49/1433823849.db2.gz LGYYYXNCDQSWFV-SJKOYZFVSA-N 1 1 375.375 3.123 20 5 GGBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000248886139 1433827791 /nfs/dbraw/zinc/82/77/91/1433827791.db2.gz XYSDQRBWBSIEMJ-QOKNQOGYSA-N 1 1 385.420 3.066 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248917240 1433829451 /nfs/dbraw/zinc/82/94/51/1433829451.db2.gz WFLKUNMDTOCCLN-IFXJQAMLSA-N 1 1 387.867 3.427 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248958617 1433830648 /nfs/dbraw/zinc/83/06/48/1433830648.db2.gz FTKCASWKMIUHBL-YJBOKZPZSA-N 1 1 378.473 3.162 20 5 GGBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248963892 1433830923 /nfs/dbraw/zinc/83/09/23/1433830923.db2.gz GWAVNGCJXSZBOV-DYESRHJHSA-N 1 1 394.475 3.304 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000249035691 1433832779 /nfs/dbraw/zinc/83/27/79/1433832779.db2.gz TZFFVQDNJSMOQL-HIFRSBDPSA-N 1 1 378.375 3.102 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000249054230 1433833322 /nfs/dbraw/zinc/83/33/22/1433833322.db2.gz IMZOWNXRBAEXTF-YESZJQIVSA-N 1 1 390.484 3.317 20 5 GGBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccc2)C1=O ZINC000249122432 1433836236 /nfs/dbraw/zinc/83/62/36/1433836236.db2.gz XOCDLXAWUBDFNJ-RXVVDRJESA-N 1 1 394.431 3.156 20 5 GGBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCC[C@H]2c2ccccc2)C1=O ZINC000249122432 1433836237 /nfs/dbraw/zinc/83/62/37/1433836237.db2.gz XOCDLXAWUBDFNJ-RXVVDRJESA-N 1 1 394.431 3.156 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000250142438 1433854799 /nfs/dbraw/zinc/85/47/99/1433854799.db2.gz ZGEMIKISANKVDJ-HNAYVOBHSA-N 1 1 386.448 3.385 20 5 GGBDMO CSc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000250198984 1433855025 /nfs/dbraw/zinc/85/50/25/1433855025.db2.gz BCDSYRBZQJLZLT-OFQRWUPVSA-N 1 1 393.509 3.031 20 5 GGBDMO CC(C)c1ccc(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000251924987 1433861526 /nfs/dbraw/zinc/86/15/26/1433861526.db2.gz SQBAJJHWZTXRSM-SOLBZPMBSA-N 1 1 389.496 3.432 20 5 GGBDMO CC(C)c1ccc(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000251924987 1433861528 /nfs/dbraw/zinc/86/15/28/1433861528.db2.gz SQBAJJHWZTXRSM-SOLBZPMBSA-N 1 1 389.496 3.432 20 5 GGBDMO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000252802581 1433864937 /nfs/dbraw/zinc/86/49/37/1433864937.db2.gz PIBHSSLIFQAVLV-YOEHRIQHSA-N 1 1 375.469 3.061 20 5 GGBDMO C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000253548864 1433868995 /nfs/dbraw/zinc/86/89/95/1433868995.db2.gz FNSQABDSTOLDDA-OWCLPIDISA-N 1 1 375.469 3.226 20 5 GGBDMO C[N@@H+](CCN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000255081324 1433876022 /nfs/dbraw/zinc/87/60/22/1433876022.db2.gz NJEJZYVNPPAXDN-XFFZJAGNSA-N 1 1 394.519 3.358 20 5 GGBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+](C/C=C\c4ccccc4)CC3)cc2N1 ZINC000255430546 1433882766 /nfs/dbraw/zinc/88/27/66/1433882766.db2.gz DUEMAJKKUSBQQJ-DAXSKMNVSA-N 1 1 392.459 3.315 20 5 GGBDMO Cc1cc(N2CCC[C@H](OC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000255499305 1433883632 /nfs/dbraw/zinc/88/36/32/1433883632.db2.gz CSGNXWIOWWQDER-VOCYLRNQSA-N 1 1 382.420 3.227 20 5 GGBDMO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000255952965 1433892464 /nfs/dbraw/zinc/89/24/64/1433892464.db2.gz GZYWHYOQXDIFHU-PBHICJAKSA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000255952965 1433892465 /nfs/dbraw/zinc/89/24/65/1433892465.db2.gz GZYWHYOQXDIFHU-PBHICJAKSA-N 1 1 385.420 3.084 20 5 GGBDMO CCOc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000261956350 1433915841 /nfs/dbraw/zinc/91/58/41/1433915841.db2.gz LZSCQWIYFQAQEB-QGZVFWFLSA-N 1 1 389.839 3.434 20 5 GGBDMO CSc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000262097507 1433927091 /nfs/dbraw/zinc/92/70/91/1433927091.db2.gz YYYHLWBRJNIYCU-INIZCTEOSA-N 1 1 375.425 3.243 20 5 GGBDMO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000263522159 1434011166 /nfs/dbraw/zinc/01/11/66/1434011166.db2.gz ROEBSRSEDVNLPC-INIZCTEOSA-N 1 1 387.436 3.226 20 5 GGBDMO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000263522159 1434011171 /nfs/dbraw/zinc/01/11/71/1434011171.db2.gz ROEBSRSEDVNLPC-INIZCTEOSA-N 1 1 387.436 3.226 20 5 GGBDMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000263522159 1434011174 /nfs/dbraw/zinc/01/11/74/1434011174.db2.gz ROEBSRSEDVNLPC-INIZCTEOSA-N 1 1 387.436 3.226 20 5 GGBDMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000263522159 1434011178 /nfs/dbraw/zinc/01/11/78/1434011178.db2.gz ROEBSRSEDVNLPC-INIZCTEOSA-N 1 1 387.436 3.226 20 5 GGBDMO Cc1cc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000263565291 1434013437 /nfs/dbraw/zinc/01/34/37/1434013437.db2.gz VNFZBOMQLLUQFA-UHFFFAOYSA-N 1 1 384.436 3.191 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1SC ZINC000264168702 1434077725 /nfs/dbraw/zinc/07/77/25/1434077725.db2.gz PAXRSZLGGQXTHS-OLZOCXBDSA-N 1 1 381.498 3.176 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1SC ZINC000264168706 1434077828 /nfs/dbraw/zinc/07/78/28/1434077828.db2.gz PAXRSZLGGQXTHS-STQMWFEESA-N 1 1 381.498 3.176 20 5 GGBDMO C[C@@H](c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000264422323 1434110608 /nfs/dbraw/zinc/11/06/08/1434110608.db2.gz IZQPURFVWPEFCA-HNNXBMFYSA-N 1 1 385.420 3.006 20 5 GGBDMO CC[N@H+]1CCCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000264602790 1434133393 /nfs/dbraw/zinc/13/33/93/1434133393.db2.gz FDYQDPRXIRPFBD-MRXNPFEDSA-N 1 1 397.479 3.331 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000264733191 1434149420 /nfs/dbraw/zinc/14/94/20/1434149420.db2.gz ZXDDPCHVJGIYSH-AWEZNQCLSA-N 1 1 385.420 3.249 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000264733192 1434149437 /nfs/dbraw/zinc/14/94/37/1434149437.db2.gz ZXDDPCHVJGIYSH-CQSZACIVSA-N 1 1 385.420 3.249 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)c1 ZINC000264753359 1434151836 /nfs/dbraw/zinc/15/18/36/1434151836.db2.gz XCQZHQLCXKRQDV-CZUORRHYSA-N 1 1 385.342 3.180 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)oc1C ZINC000264802248 1434156243 /nfs/dbraw/zinc/15/62/43/1434156243.db2.gz WONMSQURUBYZQM-UHFFFAOYSA-N 1 1 386.452 3.150 20 5 GGBDMO O=C(c1cc(N2CCC[N@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000265606729 1434250093 /nfs/dbraw/zinc/25/00/93/1434250093.db2.gz UEQRTAKZOILDTR-UHFFFAOYSA-N 1 1 386.496 3.286 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c2ccncc21 ZINC000265755991 1434262807 /nfs/dbraw/zinc/26/28/07/1434262807.db2.gz DUNIYYZUSVDABZ-YLJYHZDGSA-N 1 1 392.459 3.438 20 5 GGBDMO COc1cc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000265858010 1434273491 /nfs/dbraw/zinc/27/34/91/1434273491.db2.gz CIJZCCLOTXJWMK-MRXNPFEDSA-N 1 1 397.431 3.237 20 5 GGBDMO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000265984484 1434292689 /nfs/dbraw/zinc/29/26/89/1434292689.db2.gz GQSGZTAVKQDHPO-UHFFFAOYSA-N 1 1 398.463 3.256 20 5 GGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266037750 1434298586 /nfs/dbraw/zinc/29/85/86/1434298586.db2.gz VACYLHQQVGHSCU-CYBMUJFWSA-N 1 1 381.860 3.468 20 5 GGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC2(CCOCC2)C1 ZINC000266037750 1434298587 /nfs/dbraw/zinc/29/85/87/1434298587.db2.gz VACYLHQQVGHSCU-CYBMUJFWSA-N 1 1 381.860 3.468 20 5 GGBDMO C[C@H](c1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000266402581 1434331397 /nfs/dbraw/zinc/33/13/97/1434331397.db2.gz HIVFFAZDFHQUKD-MRXNPFEDSA-N 1 1 398.463 3.352 20 5 GGBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](CCO)c1ccccc1 ZINC000266630197 1434356216 /nfs/dbraw/zinc/35/62/16/1434356216.db2.gz PGBLMRSJNWKRED-QGZVFWFLSA-N 1 1 377.828 3.242 20 5 GGBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](CCO)c1ccccc1 ZINC000266630197 1434356217 /nfs/dbraw/zinc/35/62/17/1434356217.db2.gz PGBLMRSJNWKRED-QGZVFWFLSA-N 1 1 377.828 3.242 20 5 GGBDMO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000266915264 1434388099 /nfs/dbraw/zinc/38/80/99/1434388099.db2.gz XFIYKXBMIJOTII-UONOGXRCSA-N 1 1 377.466 3.257 20 5 GGBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266915266 1434388209 /nfs/dbraw/zinc/38/82/09/1434388209.db2.gz XFIYKXBMIJOTII-ZIAGYGMSSA-N 1 1 377.466 3.257 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266946397 1434391439 /nfs/dbraw/zinc/39/14/39/1434391439.db2.gz SNTBGMYQWFZEBP-NWDGAFQWSA-N 1 1 377.832 3.178 20 5 GGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266958138 1434392923 /nfs/dbraw/zinc/39/29/23/1434392923.db2.gz VWOGNNMBAIPQHJ-RYUDHWBXSA-N 1 1 377.832 3.178 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298739 1434420525 /nfs/dbraw/zinc/42/05/25/1434420525.db2.gz UCRSLNACCKOYGY-IERDGZPVSA-N 1 1 397.475 3.462 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000267395282 1434428957 /nfs/dbraw/zinc/42/89/57/1434428957.db2.gz IQTQXHFJYUQRBD-FUHWJXTLSA-N 1 1 383.448 3.000 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000267395279 1434429009 /nfs/dbraw/zinc/42/90/09/1434429009.db2.gz IQTQXHFJYUQRBD-AEFFLSMTSA-N 1 1 383.448 3.000 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)nc(C)[nH+]1 ZINC000267398233 1434429177 /nfs/dbraw/zinc/42/91/77/1434429177.db2.gz RQCAXRUPPPXUMY-UHFFFAOYSA-N 1 1 395.419 3.147 20 5 GGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c2c(c1)COCO2 ZINC000267428732 1434432013 /nfs/dbraw/zinc/43/20/13/1434432013.db2.gz YHTGYNBGYMUBCE-IBGZPJMESA-N 1 1 392.452 3.011 20 5 GGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c2c(c1)COCO2 ZINC000267428733 1434432066 /nfs/dbraw/zinc/43/20/66/1434432066.db2.gz YHTGYNBGYMUBCE-LJQANCHMSA-N 1 1 392.452 3.011 20 5 GGBDMO COC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267466857 1434436812 /nfs/dbraw/zinc/43/68/12/1434436812.db2.gz WRARUGIWTKCCSK-OLZOCXBDSA-N 1 1 390.465 3.014 20 5 GGBDMO COC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267466857 1434436814 /nfs/dbraw/zinc/43/68/14/1434436814.db2.gz WRARUGIWTKCCSK-OLZOCXBDSA-N 1 1 390.465 3.014 20 5 GGBDMO COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267466862 1434436835 /nfs/dbraw/zinc/43/68/35/1434436835.db2.gz WRARUGIWTKCCSK-STQMWFEESA-N 1 1 390.465 3.014 20 5 GGBDMO COC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267466862 1434436837 /nfs/dbraw/zinc/43/68/37/1434436837.db2.gz WRARUGIWTKCCSK-STQMWFEESA-N 1 1 390.465 3.014 20 5 GGBDMO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000267657158 1434453171 /nfs/dbraw/zinc/45/31/71/1434453171.db2.gz CDSCTXKSJZIOHA-HNNXBMFYSA-N 1 1 390.509 3.467 20 5 GGBDMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000267657158 1434453174 /nfs/dbraw/zinc/45/31/74/1434453174.db2.gz CDSCTXKSJZIOHA-HNNXBMFYSA-N 1 1 390.509 3.467 20 5 GGBDMO CC(C)[NH+]1CCC(O)(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000268407021 1434519778 /nfs/dbraw/zinc/51/97/78/1434519778.db2.gz GBLDEOPDFAUXTB-UHFFFAOYSA-N 1 1 390.509 3.043 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003555 1434580537 /nfs/dbraw/zinc/58/05/37/1434580537.db2.gz VKDYCZLCNTZMQR-AEFFLSMTSA-N 1 1 382.464 3.034 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003558 1434580550 /nfs/dbraw/zinc/58/05/50/1434580550.db2.gz VKDYCZLCNTZMQR-WMZOPIPTSA-N 1 1 382.464 3.034 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269178808 1434602478 /nfs/dbraw/zinc/60/24/78/1434602478.db2.gz KRIQCLNWKPBMHO-ZDUSSCGKSA-N 1 1 375.450 3.004 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269178808 1434602479 /nfs/dbraw/zinc/60/24/79/1434602479.db2.gz KRIQCLNWKPBMHO-ZDUSSCGKSA-N 1 1 375.450 3.004 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000269393437 1434636858 /nfs/dbraw/zinc/63/68/58/1434636858.db2.gz MJGRHJDDPOVBPB-UHFFFAOYSA-N 1 1 399.495 3.426 20 5 GGBDMO CC(C)c1[nH]nc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000269393437 1434636863 /nfs/dbraw/zinc/63/68/63/1434636863.db2.gz MJGRHJDDPOVBPB-UHFFFAOYSA-N 1 1 399.495 3.426 20 5 GGBDMO CC(C)c1[nH]nc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000269393437 1434636866 /nfs/dbraw/zinc/63/68/66/1434636866.db2.gz MJGRHJDDPOVBPB-UHFFFAOYSA-N 1 1 399.495 3.426 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000269456171 1434648619 /nfs/dbraw/zinc/64/86/19/1434648619.db2.gz HARBAGRSRYXTBD-GDBMZVCRSA-N 1 1 385.468 3.082 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269456174 1434648666 /nfs/dbraw/zinc/64/86/66/1434648666.db2.gz HARBAGRSRYXTBD-GOEBONIOSA-N 1 1 385.468 3.082 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000269458549 1434649123 /nfs/dbraw/zinc/64/91/23/1434649123.db2.gz SCFQZGNNYVODKJ-CYBMUJFWSA-N 1 1 391.497 3.145 20 5 GGBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269461808 1434649409 /nfs/dbraw/zinc/64/94/09/1434649409.db2.gz YEGGXRAOBRRVMK-PBHICJAKSA-N 1 1 386.452 3.005 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])cc1F ZINC000269471351 1434650536 /nfs/dbraw/zinc/65/05/36/1434650536.db2.gz UQVOKKOSVULCNN-UHFFFAOYSA-N 1 1 386.387 3.005 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269472720 1434650816 /nfs/dbraw/zinc/65/08/16/1434650816.db2.gz JCFMLQCVWWHLHM-QGZVFWFLSA-N 1 1 399.495 3.426 20 5 GGBDMO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269472720 1434650819 /nfs/dbraw/zinc/65/08/19/1434650819.db2.gz JCFMLQCVWWHLHM-QGZVFWFLSA-N 1 1 399.495 3.426 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269472720 1434650825 /nfs/dbraw/zinc/65/08/25/1434650825.db2.gz JCFMLQCVWWHLHM-QGZVFWFLSA-N 1 1 399.495 3.426 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)C[C@H](O)c3ccccc3)cs2)c1 ZINC000269932624 1434688031 /nfs/dbraw/zinc/68/80/31/1434688031.db2.gz NKXOIEWAKMCMGR-LPHOPBHVSA-N 1 1 399.472 3.293 20 5 GGBDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270111331 1434704194 /nfs/dbraw/zinc/70/41/94/1434704194.db2.gz DGTVIRPTDRYBPL-KRWDZBQOSA-N 1 1 393.447 3.016 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000270833798 1434779769 /nfs/dbraw/zinc/77/97/69/1434779769.db2.gz SSAFIFKKAMVANV-HNNXBMFYSA-N 1 1 395.525 3.137 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000270895243 1434786065 /nfs/dbraw/zinc/78/60/65/1434786065.db2.gz NMZAEHXAYFMLSS-UHFFFAOYSA-N 1 1 376.438 3.047 20 5 GGBDMO C[C@@H](Nc1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000270925295 1434788277 /nfs/dbraw/zinc/78/82/77/1434788277.db2.gz OUJWCSVNTWOAIE-OAHLLOKOSA-N 1 1 397.479 3.329 20 5 GGBDMO C[C@@H](Nc1ccc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000270925295 1434788279 /nfs/dbraw/zinc/78/82/79/1434788279.db2.gz OUJWCSVNTWOAIE-OAHLLOKOSA-N 1 1 397.479 3.329 20 5 GGBDMO COc1cc(C[NH+]2CCC(OC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000271048434 1434798503 /nfs/dbraw/zinc/79/85/03/1434798503.db2.gz TXCFDQWELRCTEA-UHFFFAOYSA-N 1 1 378.347 3.155 20 5 GGBDMO COc1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000271069819 1434800133 /nfs/dbraw/zinc/80/01/33/1434800133.db2.gz KWQVDCYMIFJVHD-UHFFFAOYSA-N 1 1 395.456 3.101 20 5 GGBDMO COc1cc(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c([N+](=O)[O-])cc1OC ZINC000271145165 1434804585 /nfs/dbraw/zinc/80/45/85/1434804585.db2.gz CMPFKJXVQJQLJB-UHFFFAOYSA-N 1 1 390.440 3.498 20 5 GGBDMO COc1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c([N+](=O)[O-])cc1OC ZINC000271169503 1434805788 /nfs/dbraw/zinc/80/57/88/1434805788.db2.gz DMOZNIDQSUBPKM-KRWDZBQOSA-N 1 1 394.468 3.162 20 5 GGBDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271777655 1434849825 /nfs/dbraw/zinc/84/98/25/1434849825.db2.gz FIEHUTIGHRJANX-LBPRGKRZSA-N 1 1 397.884 3.349 20 5 GGBDMO COc1cc(C[NH2+][C@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000271831148 1434853487 /nfs/dbraw/zinc/85/34/87/1434853487.db2.gz XBDLZVBHTXWAFE-CQSZACIVSA-N 1 1 382.363 3.418 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272160883 1434875554 /nfs/dbraw/zinc/87/55/54/1434875554.db2.gz ANRNQGPDXUPJTD-UHFFFAOYSA-N 1 1 379.848 3.075 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272214193 1434878581 /nfs/dbraw/zinc/87/85/81/1434878581.db2.gz AUBWZKUYMPIDPR-GOEBONIOSA-N 1 1 385.468 3.082 20 5 GGBDMO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OCC(F)F ZINC000272251531 1434881847 /nfs/dbraw/zinc/88/18/47/1434881847.db2.gz CDBOEXCSWMBHOH-UHFFFAOYSA-N 1 1 396.346 3.266 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272363794 1434890566 /nfs/dbraw/zinc/89/05/66/1434890566.db2.gz SMYSYRBZAQFZAB-NVXWUHKLSA-N 1 1 383.448 3.244 20 5 GGBDMO CCC[N@H+]1CC[C@H](CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272454659 1434897553 /nfs/dbraw/zinc/89/75/53/1434897553.db2.gz QBZGKJSEFDSLNF-CYBMUJFWSA-N 1 1 387.427 3.069 20 5 GGBDMO COc1cccc(OCCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272492171 1434900199 /nfs/dbraw/zinc/90/01/99/1434900199.db2.gz DZWKTQRQJFLJJL-FQEVSTJZSA-N 1 1 396.447 3.485 20 5 GGBDMO Cn1ccnc1[C@H](NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272496123 1434900512 /nfs/dbraw/zinc/90/05/12/1434900512.db2.gz FYKOWRMNCATXFA-ZWKOTPCHSA-N 1 1 385.493 3.372 20 5 GGBDMO Cn1ccnc1[C@@H](NC[C@H](c1ccsc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272496107 1434900542 /nfs/dbraw/zinc/90/05/42/1434900542.db2.gz FYKOWRMNCATXFA-MSOLQXFVSA-N 1 1 385.493 3.372 20 5 GGBDMO COc1ccc(O[C@H](C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272498650 1434900811 /nfs/dbraw/zinc/90/08/11/1434900811.db2.gz GHZLDXBZACUTSE-FOIQADDNSA-N 1 1 396.447 3.483 20 5 GGBDMO COc1ccc(O[C@@H](C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272498667 1434901005 /nfs/dbraw/zinc/90/10/05/1434901005.db2.gz GHZLDXBZACUTSE-YWZLYKJASA-N 1 1 396.447 3.483 20 5 GGBDMO COc1cccc(O[C@H](C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272537910 1434905520 /nfs/dbraw/zinc/90/55/20/1434905520.db2.gz OKBZJHKSODAMKZ-QRWLVFNGSA-N 1 1 396.447 3.483 20 5 GGBDMO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1O2 ZINC000272572579 1434909173 /nfs/dbraw/zinc/90/91/73/1434909173.db2.gz NFJCCSZLIQDPSG-SFHVURJKSA-N 1 1 397.431 3.018 20 5 GGBDMO Cn1ccnc1[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272575043 1434909618 /nfs/dbraw/zinc/90/96/18/1434909618.db2.gz WXTBKAICAVWYNQ-PZJWPPBQSA-N 1 1 391.475 3.282 20 5 GGBDMO COc1ccc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000272576406 1434909787 /nfs/dbraw/zinc/90/97/87/1434909787.db2.gz XFEWQSFVFICQAN-HXUWFJFHSA-N 1 1 396.447 3.267 20 5 GGBDMO COc1cc(C[N@@H+](C)CCCn2ccnc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272590305 1434911526 /nfs/dbraw/zinc/91/15/26/1434911526.db2.gz MRZCSCJLNTUKHP-UHFFFAOYSA-N 1 1 398.410 3.274 20 5 GGBDMO C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272651365 1434919860 /nfs/dbraw/zinc/91/98/60/1434919860.db2.gz FDABZNBNQZCDRP-RDJZCZTQSA-N 1 1 384.480 3.319 20 5 GGBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)C1 ZINC000272696598 1434923892 /nfs/dbraw/zinc/92/38/92/1434923892.db2.gz VHSKGEQXTOCLNG-CQSZACIVSA-N 1 1 384.436 3.150 20 5 GGBDMO COc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000272782500 1434930816 /nfs/dbraw/zinc/93/08/16/1434930816.db2.gz FDIFTNLISTVHLO-KBPBESRZSA-N 1 1 376.457 3.378 20 5 GGBDMO CC(C)[NH+]1CCN(C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000273054742 1434955671 /nfs/dbraw/zinc/95/56/71/1434955671.db2.gz ZCFQLLJDJPCVMA-UHFFFAOYSA-N 1 1 380.920 3.239 20 5 GGBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)c(F)c1 ZINC000273226791 1434973719 /nfs/dbraw/zinc/97/37/19/1434973719.db2.gz VQBFLNDDZAXUFD-SNVBAGLBSA-N 1 1 388.367 3.137 20 5 GGBDMO COc1ccccc1-c1noc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000273264323 1434976460 /nfs/dbraw/zinc/97/64/60/1434976460.db2.gz FGRDRUORQRLOCO-ZDUSSCGKSA-N 1 1 384.392 3.383 20 5 GGBDMO Cc1cc(-c2noc([C@@H](C)[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000273273731 1434977215 /nfs/dbraw/zinc/97/72/15/1434977215.db2.gz FDVXPJVOZYVCBG-SJKOYZFVSA-N 1 1 386.383 3.477 20 5 GGBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc2)CC1 ZINC000273945983 1435030938 /nfs/dbraw/zinc/03/09/38/1435030938.db2.gz NGKBBOBVSQLZBL-UHFFFAOYSA-N 1 1 390.390 3.267 20 5 GGBDMO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)cc(C(F)(F)F)c1 ZINC000274084287 1435042313 /nfs/dbraw/zinc/04/23/13/1435042313.db2.gz TVLLVKQASNHFOB-DGCLKSJQSA-N 1 1 384.314 3.199 20 5 GGBDMO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc(C(F)(F)F)c1 ZINC000274084291 1435042319 /nfs/dbraw/zinc/04/23/19/1435042319.db2.gz TVLLVKQASNHFOB-WCQYABFASA-N 1 1 384.314 3.199 20 5 GGBDMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000274498431 1435074886 /nfs/dbraw/zinc/07/48/86/1435074886.db2.gz UMWBOQGZZKQTLY-LBPRGKRZSA-N 1 1 392.383 3.145 20 5 GGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCN1CCN(C)CC1 ZINC000274677720 1435084848 /nfs/dbraw/zinc/08/48/48/1435084848.db2.gz ZKWDXXOSXGRCJC-IAGOWNOFSA-N 1 1 380.558 3.081 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801310 1435093747 /nfs/dbraw/zinc/09/37/47/1435093747.db2.gz FKGQPWFRXKJNMU-DYESRHJHSA-N 1 1 396.491 3.058 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801317 1435093775 /nfs/dbraw/zinc/09/37/75/1435093775.db2.gz FKGQPWFRXKJNMU-UTKZUKDTSA-N 1 1 396.491 3.058 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000275189005 1435121477 /nfs/dbraw/zinc/12/14/77/1435121477.db2.gz AIKYZRQKVCULIP-TZIWHRDSSA-N 1 1 380.448 3.305 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000276043915 1435187485 /nfs/dbraw/zinc/18/74/85/1435187485.db2.gz SYIACDZTMRNLOQ-OAHLLOKOSA-N 1 1 392.374 3.137 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000276043915 1435187486 /nfs/dbraw/zinc/18/74/86/1435187486.db2.gz SYIACDZTMRNLOQ-OAHLLOKOSA-N 1 1 392.374 3.137 20 5 GGBDMO COCCOCCOCC[N@@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000276273934 1435201499 /nfs/dbraw/zinc/20/14/99/1435201499.db2.gz QNOFAIMOOYXINA-UHFFFAOYSA-N 1 1 385.460 3.058 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276892105 1435240590 /nfs/dbraw/zinc/24/05/90/1435240590.db2.gz CKPDQEFECCTEJC-KRWDZBQOSA-N 1 1 383.448 3.198 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276892108 1435240630 /nfs/dbraw/zinc/24/06/30/1435240630.db2.gz CKPDQEFECCTEJC-QGZVFWFLSA-N 1 1 383.448 3.198 20 5 GGBDMO CCOc1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)ccc1[N+](=O)[O-] ZINC000276931041 1435244275 /nfs/dbraw/zinc/24/42/75/1435244275.db2.gz QTNJFLWSIBGWLK-MRXNPFEDSA-N 1 1 381.436 3.416 20 5 GGBDMO CCOc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000276956781 1435246886 /nfs/dbraw/zinc/24/68/86/1435246886.db2.gz VAOLBLIIYCRART-UHFFFAOYSA-N 1 1 377.485 3.070 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000276977405 1435249021 /nfs/dbraw/zinc/24/90/21/1435249021.db2.gz AYFNGVJXJFWPQF-UHFFFAOYSA-N 1 1 395.459 3.266 20 5 GGBDMO Cc1cnc(C2CC[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)s1 ZINC000277496503 1435308362 /nfs/dbraw/zinc/30/83/62/1435308362.db2.gz PDOFXGXQGRJWJN-UHFFFAOYSA-N 1 1 386.477 3.128 20 5 GGBDMO Cc1noc(C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccccc2)n1 ZINC000277658313 1435319754 /nfs/dbraw/zinc/31/97/54/1435319754.db2.gz NSEGFXYTHNVSDK-SFHVURJKSA-N 1 1 396.403 3.226 20 5 GGBDMO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000277772330 1435328846 /nfs/dbraw/zinc/32/88/46/1435328846.db2.gz NCLWGGORJNQMSY-QGZVFWFLSA-N 1 1 385.485 3.345 20 5 GGBDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000277772330 1435328848 /nfs/dbraw/zinc/32/88/48/1435328848.db2.gz NCLWGGORJNQMSY-QGZVFWFLSA-N 1 1 385.485 3.345 20 5 GGBDMO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000277772327 1435328914 /nfs/dbraw/zinc/32/89/14/1435328914.db2.gz NCLWGGORJNQMSY-KRWDZBQOSA-N 1 1 385.485 3.345 20 5 GGBDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000277772327 1435328916 /nfs/dbraw/zinc/32/89/16/1435328916.db2.gz NCLWGGORJNQMSY-KRWDZBQOSA-N 1 1 385.485 3.345 20 5 GGBDMO Cn1cc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278342379 1435381813 /nfs/dbraw/zinc/38/18/13/1435381813.db2.gz HTTLVPRSEUDECH-SUMWQHHRSA-N 1 1 398.385 3.131 20 5 GGBDMO CCOc1c(OC)cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000278748075 1435419634 /nfs/dbraw/zinc/41/96/34/1435419634.db2.gz RUMFBOQWCOAESK-UHFFFAOYSA-N 1 1 386.408 3.177 20 5 GGBDMO CC(C)c1ccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278833965 1435428734 /nfs/dbraw/zinc/42/87/34/1435428734.db2.gz JZFHSQKUYSCUOE-HNNXBMFYSA-N 1 1 375.469 3.044 20 5 GGBDMO CCn1nccc1C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000278843342 1435430213 /nfs/dbraw/zinc/43/02/13/1435430213.db2.gz JJVKSXZZUWAPNT-UHFFFAOYSA-N 1 1 382.424 3.241 20 5 GGBDMO CCOc1cc(N2CC[NH+](Cc3ccccc3NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000279631509 1435521334 /nfs/dbraw/zinc/52/13/34/1435521334.db2.gz BWMGKOBOLPQWRE-UHFFFAOYSA-N 1 1 398.463 3.274 20 5 GGBDMO C[C@H]1OCC[C@@]12C[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C[C@@H](C)O2 ZINC000279787399 1435543245 /nfs/dbraw/zinc/54/32/45/1435543245.db2.gz OALHQKCJIIKVJM-STXHMFSFSA-N 1 1 387.436 3.061 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000279998048 1435574488 /nfs/dbraw/zinc/57/44/88/1435574488.db2.gz KXVYOWYZRBBISG-CABCVRRESA-N 1 1 375.469 3.376 20 5 GGBDMO COc1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000280122813 1435595962 /nfs/dbraw/zinc/59/59/62/1435595962.db2.gz BUCNJISGFDIIHH-ZDUSSCGKSA-N 1 1 386.326 3.325 20 5 GGBDMO CC1(C)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@]2(CCOC2)O1 ZINC000280524075 1435673301 /nfs/dbraw/zinc/67/33/01/1435673301.db2.gz OKWFRNSBUOENPZ-HXUWFJFHSA-N 1 1 387.436 3.062 20 5 GGBDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280682404 1435703113 /nfs/dbraw/zinc/70/31/13/1435703113.db2.gz NMWJZAHECCCOGQ-KXBFYZLASA-N 1 1 376.478 3.476 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000280761479 1435715829 /nfs/dbraw/zinc/71/58/29/1435715829.db2.gz BAFKDJCCIPOVPD-SFHVURJKSA-N 1 1 397.475 3.288 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000280761476 1435716109 /nfs/dbraw/zinc/71/61/09/1435716109.db2.gz BAFKDJCCIPOVPD-GOSISDBHSA-N 1 1 397.475 3.288 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000280768813 1435716799 /nfs/dbraw/zinc/71/67/99/1435716799.db2.gz BOGFWMNHCDJCKR-MRXNPFEDSA-N 1 1 387.436 3.462 20 5 GGBDMO O=c1[nH]c(NC[C@H](c2ccco2)[NH+]2CCCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000280947468 1435746123 /nfs/dbraw/zinc/74/61/23/1435746123.db2.gz JGVVPNQGOXQIAS-MRXNPFEDSA-N 1 1 383.408 3.476 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000281083817 1435770857 /nfs/dbraw/zinc/77/08/57/1435770857.db2.gz JNTOCGSIHRSEQK-HNNXBMFYSA-N 1 1 399.447 3.097 20 5 GGBDMO COc1cc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000281098354 1435773435 /nfs/dbraw/zinc/77/34/35/1435773435.db2.gz TWAFLMJFBNTXKH-SJLPKXTDSA-N 1 1 381.432 3.360 20 5 GGBDMO Cc1cc(OCC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000281115142 1435777413 /nfs/dbraw/zinc/77/74/13/1435777413.db2.gz NNJHDFDCQNGWEH-CVEARBPZSA-N 1 1 375.469 3.051 20 5 GGBDMO O=c1[nH]c(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000281242077 1435800439 /nfs/dbraw/zinc/80/04/39/1435800439.db2.gz TXWUTQHJOKTXPY-INIZCTEOSA-N 1 1 393.447 3.220 20 5 GGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281561037 1435813497 /nfs/dbraw/zinc/81/34/97/1435813497.db2.gz YFANBBRJZMLRNU-BTWZCHHXSA-N 1 1 375.469 3.183 20 5 GGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281561045 1435813584 /nfs/dbraw/zinc/81/35/84/1435813584.db2.gz YFANBBRJZMLRNU-JBFGMIDGSA-N 1 1 375.469 3.183 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000282995886 1435869428 /nfs/dbraw/zinc/86/94/28/1435869428.db2.gz COVDBTZTPAQYCN-LSDHHAIUSA-N 1 1 375.469 3.376 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000282995875 1435869442 /nfs/dbraw/zinc/86/94/42/1435869442.db2.gz COVDBTZTPAQYCN-GJZGRUSLSA-N 1 1 375.469 3.376 20 5 GGBDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283270085 1435882235 /nfs/dbraw/zinc/88/22/35/1435882235.db2.gz LEWKFLZHYJONKL-LOKFHWFJSA-N 1 1 389.477 3.354 20 5 GGBDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283270091 1435882253 /nfs/dbraw/zinc/88/22/53/1435882253.db2.gz LEWKFLZHYJONKL-PWFNWSNSSA-N 1 1 389.477 3.354 20 5 GGBDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283270082 1435882261 /nfs/dbraw/zinc/88/22/61/1435882261.db2.gz LEWKFLZHYJONKL-ASHKIFAZSA-N 1 1 389.477 3.354 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283890881 1435945692 /nfs/dbraw/zinc/94/56/92/1435945692.db2.gz IUPHKLVLIHQNRF-ZIAGYGMSSA-N 1 1 378.448 3.043 20 5 GGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000284042018 1435979065 /nfs/dbraw/zinc/97/90/65/1435979065.db2.gz IZXNZHBIIUPCML-ZDUSSCGKSA-N 1 1 384.392 3.481 20 5 GGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000284237544 1436006163 /nfs/dbraw/zinc/00/61/63/1436006163.db2.gz VKWBEFCCUHULKN-GFCCVEGCSA-N 1 1 386.364 3.310 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284298712 1436010917 /nfs/dbraw/zinc/01/09/17/1436010917.db2.gz GOHCRCMJDYSBCF-AWEZNQCLSA-N 1 1 392.475 3.433 20 5 GGBDMO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000284519719 1436027728 /nfs/dbraw/zinc/02/77/28/1436027728.db2.gz WDBXUBLGKIUKNW-OAHLLOKOSA-N 1 1 386.427 3.053 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000284719389 1436043050 /nfs/dbraw/zinc/04/30/50/1436043050.db2.gz JHONHEHATTTWPC-HXUWFJFHSA-N 1 1 396.491 3.091 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000284719389 1436043054 /nfs/dbraw/zinc/04/30/54/1436043054.db2.gz JHONHEHATTTWPC-HXUWFJFHSA-N 1 1 396.491 3.091 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000284719389 1436043058 /nfs/dbraw/zinc/04/30/58/1436043058.db2.gz JHONHEHATTTWPC-HXUWFJFHSA-N 1 1 396.491 3.091 20 5 GGBDMO Cc1nc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164628395 719054238 /nfs/dbraw/zinc/05/42/38/719054238.db2.gz YJMDNHAOHVIFOE-HZPDHXFCSA-N 1 1 387.871 3.447 20 5 GGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164629103 719062772 /nfs/dbraw/zinc/06/27/72/719062772.db2.gz VQCVZRHANGPMEN-HZPDHXFCSA-N 1 1 387.871 3.447 20 5 GGBDMO CCOc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164631607 719090302 /nfs/dbraw/zinc/09/03/02/719090302.db2.gz YRVBSZSXIAPZAD-HKUYNNGSSA-N 1 1 382.464 3.489 20 5 GGBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164646211 719308554 /nfs/dbraw/zinc/30/85/54/719308554.db2.gz CJDRAYYTGFLHGV-UHFFFAOYSA-N 1 1 378.864 3.045 20 5 GGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164649122 719310046 /nfs/dbraw/zinc/31/00/46/719310046.db2.gz ODINXMHJYJKWBQ-UHFFFAOYSA-N 1 1 392.891 3.353 20 5 GGBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164698934 719886838 /nfs/dbraw/zinc/88/68/38/719886838.db2.gz GFUACEHRMJJQHI-UHFFFAOYSA-N 1 1 388.493 3.231 20 5 GGBDMO Cc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c([N+](=O)[O-])c1 ZINC001164695304 719886941 /nfs/dbraw/zinc/88/69/41/719886941.db2.gz MNTROBFQZMAFTL-UHFFFAOYSA-N 1 1 388.493 3.231 20 5 GGBDMO Cc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c([N+](=O)[O-])c1 ZINC001164695304 719886943 /nfs/dbraw/zinc/88/69/43/719886943.db2.gz MNTROBFQZMAFTL-UHFFFAOYSA-N 1 1 388.493 3.231 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])C2 ZINC001164811031 720096540 /nfs/dbraw/zinc/09/65/40/720096540.db2.gz NGDVLZJWGNEEKZ-HNAYVOBHSA-N 1 1 394.903 3.136 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])C2 ZINC001164809199 720098662 /nfs/dbraw/zinc/09/86/62/720098662.db2.gz IYBMYJQJFIXSRK-DNVCBOLYSA-N 1 1 394.903 3.136 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164811375 720099298 /nfs/dbraw/zinc/09/92/98/720099298.db2.gz ODJQAXKABPBYLG-AVRDEDQJSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001164812511 720106516 /nfs/dbraw/zinc/10/65/16/720106516.db2.gz OYDIIUBWNXPGFX-VGOFRKELSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001164812526 720109600 /nfs/dbraw/zinc/10/96/00/720109600.db2.gz PBPRUDTXPUYGAE-GCJKJVERSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001164815845 720142810 /nfs/dbraw/zinc/14/28/10/720142810.db2.gz WKRXWTOFAQXKEB-AVRDEDQJSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001164818530 720155689 /nfs/dbraw/zinc/15/56/89/720155689.db2.gz TVJLVKNWLIZETP-GCJKJVERSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001164814166 720198941 /nfs/dbraw/zinc/19/89/41/720198941.db2.gz TYIATTGCPQCMGO-PGRDOPGGSA-N 1 1 396.491 3.328 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c2ccccc21 ZINC001164726973 720374096 /nfs/dbraw/zinc/37/40/96/720374096.db2.gz QAOUONJCMRSQMT-MOPGFXCFSA-N 1 1 375.432 3.391 20 5 GGBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc21 ZINC001164727772 720376032 /nfs/dbraw/zinc/37/60/32/720376032.db2.gz RJHLVMZPYVMZOB-ZWKOTPCHSA-N 1 1 375.432 3.391 20 5 GGBDMO CC(C)Oc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164729387 720452816 /nfs/dbraw/zinc/45/28/16/720452816.db2.gz HIVLYFZJJWIOTK-DLBZAZTESA-N 1 1 383.452 3.025 20 5 GGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164724376 720479727 /nfs/dbraw/zinc/47/97/27/720479727.db2.gz FRWFWXZZBKQENO-VQTJNVASSA-N 1 1 375.432 3.391 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc(Cl)c1[N+](=O)[O-])[C@@H]2C ZINC001164853990 720923949 /nfs/dbraw/zinc/92/39/49/720923949.db2.gz DNBLGHYCVYAKMY-GFCCVEGCSA-N 1 1 378.864 3.261 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)[C@H]2C ZINC001164856172 720937241 /nfs/dbraw/zinc/93/72/41/720937241.db2.gz CCSWJOKIELQDOD-AWEZNQCLSA-N 1 1 395.467 3.156 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)[C@H]2C ZINC001164862381 720973644 /nfs/dbraw/zinc/97/36/44/720973644.db2.gz SEMWNOXLCVTDOQ-ZDUSSCGKSA-N 1 1 383.456 3.089 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3cccc([N+](=O)[O-])c31)[C@H]2C ZINC001164858836 721016778 /nfs/dbraw/zinc/01/67/78/721016778.db2.gz HTCFDEYUOHWQQR-AWEZNQCLSA-N 1 1 395.467 3.156 20 5 GGBDMO O=[N+]([O-])c1cccc2nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)ccc21 ZINC001164783435 721407768 /nfs/dbraw/zinc/40/77/68/721407768.db2.gz IIFADLBMYCSMMF-ZIAGYGMSSA-N 1 1 381.461 3.168 20 5 GGBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164792956 721493241 /nfs/dbraw/zinc/49/32/41/721493241.db2.gz WGSSFBATKGGVET-UHFFFAOYSA-N 1 1 385.443 3.405 20 5 GGBDMO COc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164792294 721494223 /nfs/dbraw/zinc/49/42/23/721494223.db2.gz NEMRPGLOGFQMTB-UHFFFAOYSA-N 1 1 397.479 3.274 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164901068 721511740 /nfs/dbraw/zinc/51/17/40/721511740.db2.gz WHNLTSUTKORLOK-ZBFHGGJFSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164901067 721511940 /nfs/dbraw/zinc/51/19/40/721511940.db2.gz WHNLTSUTKORLOK-HOCLYGCPSA-N 1 1 392.818 3.124 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905237 721526638 /nfs/dbraw/zinc/52/66/38/721526638.db2.gz HDNTUIXHYNHLTC-GOEBONIOSA-N 1 1 392.818 3.124 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909256 721539295 /nfs/dbraw/zinc/53/92/95/721539295.db2.gz RAXGBYJLIRLXNW-SJLPKXTDSA-N 1 1 386.427 3.088 20 5 GGBDMO O=[N+]([O-])c1cccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905502 721693261 /nfs/dbraw/zinc/69/32/61/721693261.db2.gz JOWBPULBEIFZCM-SFHVURJKSA-N 1 1 389.406 3.123 20 5 GGBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc([N+](=O)[O-])ccn1)C2 ZINC001164908911 721744043 /nfs/dbraw/zinc/74/40/43/721744043.db2.gz OEIARWXJMLZLFJ-UHFFFAOYSA-N 1 1 379.420 3.173 20 5 GGBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc([N+](=O)[O-])ccn1)C2 ZINC001164908911 721744048 /nfs/dbraw/zinc/74/40/48/721744048.db2.gz OEIARWXJMLZLFJ-UHFFFAOYSA-N 1 1 379.420 3.173 20 5 GGBDMO Cc1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165025027 721801340 /nfs/dbraw/zinc/80/13/40/721801340.db2.gz NECKKPJDXWRPSA-YTQUADARSA-N 1 1 381.480 3.430 20 5 GGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001165025853 721805075 /nfs/dbraw/zinc/80/50/75/721805075.db2.gz POPAOAZGCXDZAE-BMGDILEWSA-N 1 1 385.443 3.261 20 5 GGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]21 ZINC001165026901 721808365 /nfs/dbraw/zinc/80/83/65/721808365.db2.gz SDKGJJOZFQGTSR-LSBZLQRGSA-N 1 1 385.443 3.261 20 5 GGBDMO COc1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165025228 721810309 /nfs/dbraw/zinc/81/03/09/721810309.db2.gz MARZHHPBAHIPAH-ZYSHUDEJSA-N 1 1 397.479 3.130 20 5 GGBDMO COc1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165025225 721810332 /nfs/dbraw/zinc/81/03/32/721810332.db2.gz MARZHHPBAHIPAH-SNRMKQJTSA-N 1 1 397.479 3.130 20 5 GGBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164929546 721888638 /nfs/dbraw/zinc/88/86/38/721888638.db2.gz BQMQHYSOYKTWGO-HOTGVXAUSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164929546 721888639 /nfs/dbraw/zinc/88/86/39/721888639.db2.gz BQMQHYSOYKTWGO-HOTGVXAUSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164933314 721888716 /nfs/dbraw/zinc/88/87/16/721888716.db2.gz LZNHAJLRIHGMTR-MSOLQXFVSA-N 1 1 399.470 3.011 20 5 GGBDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164933314 721888718 /nfs/dbraw/zinc/88/87/18/721888718.db2.gz LZNHAJLRIHGMTR-MSOLQXFVSA-N 1 1 399.470 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164933316 721888912 /nfs/dbraw/zinc/88/89/12/721888912.db2.gz LZNHAJLRIHGMTR-ROUUACIJSA-N 1 1 399.470 3.011 20 5 GGBDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164933316 721888915 /nfs/dbraw/zinc/88/89/15/721888915.db2.gz LZNHAJLRIHGMTR-ROUUACIJSA-N 1 1 399.470 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164933315 721888989 /nfs/dbraw/zinc/88/89/89/721888989.db2.gz LZNHAJLRIHGMTR-QZTJIDSGSA-N 1 1 399.470 3.011 20 5 GGBDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164933315 721888991 /nfs/dbraw/zinc/88/89/91/721888991.db2.gz LZNHAJLRIHGMTR-QZTJIDSGSA-N 1 1 399.470 3.011 20 5 GGBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cccc([N+](=O)[O-])n4)CC3)C2)cc1 ZINC001164939321 721922608 /nfs/dbraw/zinc/92/26/08/721922608.db2.gz IKYQYFKYDWLZNV-UHFFFAOYSA-N 1 1 382.464 3.170 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165043814 721954618 /nfs/dbraw/zinc/95/46/18/721954618.db2.gz CVBZYGDZILAMGW-UHFFFAOYSA-N 1 1 397.262 3.498 20 5 GGBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)ccc21 ZINC001164967104 722073184 /nfs/dbraw/zinc/07/31/84/722073184.db2.gz IIKKKLGUEGNGPQ-OKILXGFUSA-N 1 1 388.855 3.096 20 5 GGBDMO COc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164993265 722197568 /nfs/dbraw/zinc/19/75/68/722197568.db2.gz DSARUYFIEHUQPS-FQEVSTJZSA-N 1 1 386.427 3.382 20 5 GGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001575516980 949223345 /nfs/dbraw/zinc/22/33/45/949223345.db2.gz SHMJSYQTDKGGQX-GXTWGEPZSA-N 1 1 397.414 3.161 20 5 GGBDMO O=C([O-])C[C@H]1CCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001606094601 973260908 /nfs/dbraw/zinc/26/09/08/973260908.db2.gz AGIIZXCFSUXFMW-LJQANCHMSA-N 1 1 389.496 3.036 20 5 GGBDMO C[C@@H]1CC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C(=O)[O-])C1 ZINC001594419005 999563604 /nfs/dbraw/zinc/56/36/04/999563604.db2.gz MZWVNZAMZFHVBS-OXQOHEQNSA-N 1 1 389.496 3.034 20 5 GGBDMO C[C@H]1CC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@H](C(=O)[O-])C1 ZINC001594419003 999563776 /nfs/dbraw/zinc/56/37/76/999563776.db2.gz MZWVNZAMZFHVBS-JXFKEZNVSA-N 1 1 389.496 3.034 20 5 GGBDMO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000359901018 212123255 /nfs/dbraw/zinc/12/32/55/212123255.db2.gz QBTPWUMHLSDBOZ-LIRRHRJNSA-N 1 1 379.420 3.035 20 5 GGBDMO COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1[N+](=O)[O-] ZINC000010448528 221103886 /nfs/dbraw/zinc/10/38/86/221103886.db2.gz LFIGDGNGELZARC-MRXNPFEDSA-N 1 1 377.828 3.290 20 5 GGBDMO CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000014651461 221314349 /nfs/dbraw/zinc/31/43/49/221314349.db2.gz DUWLINNHJYVGOU-UHFFFAOYSA-N 1 1 395.463 3.269 20 5 GGBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000017306066 221382611 /nfs/dbraw/zinc/38/26/11/221382611.db2.gz FHNBBHXAMQXAPD-CQSZACIVSA-N 1 1 395.419 3.235 20 5 GGBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000017306066 221382612 /nfs/dbraw/zinc/38/26/12/221382612.db2.gz FHNBBHXAMQXAPD-CQSZACIVSA-N 1 1 395.419 3.235 20 5 GGBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000018892355 221392974 /nfs/dbraw/zinc/39/29/74/221392974.db2.gz KMXKIJBYDOOYEL-UHFFFAOYSA-N 1 1 397.475 3.441 20 5 GGBDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c2)CCO1 ZINC000058162290 222042841 /nfs/dbraw/zinc/04/28/41/222042841.db2.gz OWOCCVZVOGENIB-HNNXBMFYSA-N 1 1 384.436 3.137 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c2)CCO1 ZINC000058162290 222042845 /nfs/dbraw/zinc/04/28/45/222042845.db2.gz OWOCCVZVOGENIB-HNNXBMFYSA-N 1 1 384.436 3.137 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc2c(c1)OCO2 ZINC000096012924 222370857 /nfs/dbraw/zinc/37/08/57/222370857.db2.gz ONCMFHBHQYGXRR-UHFFFAOYSA-N 1 1 389.383 3.313 20 5 GGBDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116270517 564206365 /nfs/dbraw/zinc/20/63/65/564206365.db2.gz FHFHHLSMOCOOJE-LLVKDONJSA-N 1 1 383.857 3.089 20 5 GGBDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116270517 564206366 /nfs/dbraw/zinc/20/63/66/564206366.db2.gz FHFHHLSMOCOOJE-LLVKDONJSA-N 1 1 383.857 3.089 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3Br)C2)nc1 ZINC000118866266 564247511 /nfs/dbraw/zinc/24/75/11/564247511.db2.gz YIVYKJUJHQJLKS-CYBMUJFWSA-N 1 1 377.242 3.439 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3Br)C2)nc1 ZINC000118866266 564247515 /nfs/dbraw/zinc/24/75/15/564247515.db2.gz YIVYKJUJHQJLKS-CYBMUJFWSA-N 1 1 377.242 3.439 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000119652766 564281961 /nfs/dbraw/zinc/28/19/61/564281961.db2.gz ZNKHJPXCOYJHNS-NWDGAFQWSA-N 1 1 384.274 3.208 20 5 GGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119702753 564283822 /nfs/dbraw/zinc/28/38/22/564283822.db2.gz WWIZOSORXTZUEP-GFCCVEGCSA-N 1 1 384.274 3.065 20 5 GGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120933744 564344485 /nfs/dbraw/zinc/34/44/85/564344485.db2.gz POTIUTAZGOAQJZ-CYBMUJFWSA-N 1 1 382.258 3.104 20 5 GGBDMO C[N@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712836 564348667 /nfs/dbraw/zinc/34/86/67/564348667.db2.gz AIVWQZUPCMDUFK-MRXNPFEDSA-N 1 1 395.253 3.229 20 5 GGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122633729 564421079 /nfs/dbraw/zinc/42/10/79/564421079.db2.gz YGGMPORXBVGXCW-LBPRGKRZSA-N 1 1 384.274 3.352 20 5 GGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](CO)c1cccc(Br)c1 ZINC000125544331 564517536 /nfs/dbraw/zinc/51/75/36/564517536.db2.gz VLJOMODSXKTYEC-INIZCTEOSA-N 1 1 395.253 3.402 20 5 GGBDMO CSCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000126313232 564545043 /nfs/dbraw/zinc/54/50/43/564545043.db2.gz KHJODYGSLQVZBB-JTQLQIEISA-N 1 1 390.303 3.369 20 5 GGBDMO CC[N@@H+]1CCc2nc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000049951522 564555734 /nfs/dbraw/zinc/55/57/34/564555734.db2.gz REUADNMURRYEBR-UHFFFAOYSA-N 1 1 378.479 3.160 20 5 GGBDMO CC[N@H+]1CCc2nc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000049951522 564555735 /nfs/dbraw/zinc/55/57/35/564555735.db2.gz REUADNMURRYEBR-UHFFFAOYSA-N 1 1 378.479 3.160 20 5 GGBDMO Cc1c(Br)cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000127119872 564574410 /nfs/dbraw/zinc/57/44/10/564574410.db2.gz GXESDTFPXPPGHJ-BXKDBHETSA-N 1 1 382.258 3.021 20 5 GGBDMO C[N@H+](CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000053047631 564580970 /nfs/dbraw/zinc/58/09/70/564580970.db2.gz CUDWVFCTAXFCLF-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO C[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000053047631 564580977 /nfs/dbraw/zinc/58/09/77/564580977.db2.gz CUDWVFCTAXFCLF-UHFFFAOYSA-N 1 1 392.253 3.470 20 5 GGBDMO Cc1ccc(NCCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[nH+]c1 ZINC000127373530 564581699 /nfs/dbraw/zinc/58/16/99/564581699.db2.gz UTBCXAHDTCFGIY-UHFFFAOYSA-N 1 1 393.241 3.293 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000127772628 564595527 /nfs/dbraw/zinc/59/55/27/564595527.db2.gz QIAYVXVQDUBIHB-DOMZBBRYSA-N 1 1 396.285 3.222 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000127914237 564600933 /nfs/dbraw/zinc/60/09/33/564600933.db2.gz PZSBCGUWKPUQTB-DOMZBBRYSA-N 1 1 396.285 3.222 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000128169066 564609686 /nfs/dbraw/zinc/60/96/86/564609686.db2.gz TZFOBWJARWQKLI-UHFFFAOYSA-N 1 1 395.257 3.333 20 5 GGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000129808004 564660964 /nfs/dbraw/zinc/66/09/64/564660964.db2.gz CINAHKCYQAQUME-ZDUSSCGKSA-N 1 1 398.301 3.136 20 5 GGBDMO C[C@H](c1ccccc1Br)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000131452285 564712835 /nfs/dbraw/zinc/71/28/35/564712835.db2.gz PLXQUQBVMRNNAA-GFCCVEGCSA-N 1 1 380.242 3.212 20 5 GGBDMO C[C@H](c1ccccc1Br)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000131452285 564712839 /nfs/dbraw/zinc/71/28/39/564712839.db2.gz PLXQUQBVMRNNAA-GFCCVEGCSA-N 1 1 380.242 3.212 20 5 GGBDMO C[C@@H](c1ccccc1Br)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000131452085 564713000 /nfs/dbraw/zinc/71/30/00/564713000.db2.gz PLXQUQBVMRNNAA-LBPRGKRZSA-N 1 1 380.242 3.212 20 5 GGBDMO C[C@@H](c1ccccc1Br)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000131452085 564713003 /nfs/dbraw/zinc/71/30/03/564713003.db2.gz PLXQUQBVMRNNAA-LBPRGKRZSA-N 1 1 380.242 3.212 20 5 GGBDMO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)n1 ZINC000091832464 564873015 /nfs/dbraw/zinc/87/30/15/564873015.db2.gz FBSFFCPJTYQSFE-LBPRGKRZSA-N 1 1 381.230 3.428 20 5 GGBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)n1 ZINC000091832464 564873020 /nfs/dbraw/zinc/87/30/20/564873020.db2.gz FBSFFCPJTYQSFE-LBPRGKRZSA-N 1 1 381.230 3.428 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](CO)C3)o2)c(Br)c1 ZINC000092764002 564881469 /nfs/dbraw/zinc/88/14/69/564881469.db2.gz KCDRFPFKZHUFRL-LLVKDONJSA-N 1 1 381.226 3.432 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(O)ccc3Br)C2)nc1 ZINC000093534645 564887771 /nfs/dbraw/zinc/88/77/71/564887771.db2.gz XFJVJSXVEJEJAU-LBPRGKRZSA-N 1 1 393.241 3.144 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(O)ccc3Br)C2)nc1 ZINC000093534645 564887776 /nfs/dbraw/zinc/88/77/76/564887776.db2.gz XFJVJSXVEJEJAU-LBPRGKRZSA-N 1 1 393.241 3.144 20 5 GGBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000096482954 564902017 /nfs/dbraw/zinc/90/20/17/564902017.db2.gz GQGLFSZDPUOZRI-LLVKDONJSA-N 1 1 389.237 3.342 20 5 GGBDMO C[C@@H]1C[C@H](Nc2ccc(I)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000097635711 564909450 /nfs/dbraw/zinc/90/94/50/564909450.db2.gz IYBHEEIKIATDLX-MWLCHTKSSA-N 1 1 375.210 3.094 20 5 GGBDMO C[C@H]1C[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000097635714 564910148 /nfs/dbraw/zinc/91/01/48/564910148.db2.gz IYBHEEIKIATDLX-ONGXEEELSA-N 1 1 375.210 3.094 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151485773 564922608 /nfs/dbraw/zinc/92/26/08/564922608.db2.gz RIZJQXZSGUZCQO-CYBMUJFWSA-N 1 1 398.301 3.281 20 5 GGBDMO COc1ccc(OCC[N@@H+](C)Cc2cc(Br)cn2C)c([N+](=O)[O-])c1 ZINC000151592458 564928415 /nfs/dbraw/zinc/92/84/15/564928415.db2.gz FZKFCPVEQJVNES-UHFFFAOYSA-N 1 1 398.257 3.215 20 5 GGBDMO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000152482477 564961288 /nfs/dbraw/zinc/96/12/88/564961288.db2.gz BYJLHJXOUMDIJI-WBMJQRKESA-N 1 1 395.257 3.016 20 5 GGBDMO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000152482477 564961290 /nfs/dbraw/zinc/96/12/90/564961290.db2.gz BYJLHJXOUMDIJI-WBMJQRKESA-N 1 1 395.257 3.016 20 5 GGBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000154006346 565021894 /nfs/dbraw/zinc/02/18/94/565021894.db2.gz FQTGJXPHZUSGTB-AWEZNQCLSA-N 1 1 395.253 3.229 20 5 GGBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000154574653 565044766 /nfs/dbraw/zinc/04/47/66/565044766.db2.gz ARNKJMKHJPHBBS-UHFFFAOYSA-N 1 1 394.229 3.036 20 5 GGBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000183556994 565078828 /nfs/dbraw/zinc/07/88/28/565078828.db2.gz MOBMNVJHQRERMR-UHFFFAOYSA-N 1 1 389.260 3.465 20 5 GGBDMO CN(C)[C@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCSC1 ZINC000267108258 565105316 /nfs/dbraw/zinc/10/53/16/565105316.db2.gz QNCQEBIQIOFCKB-KRWDZBQOSA-N 1 1 378.523 3.245 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267562940 565122280 /nfs/dbraw/zinc/12/22/80/565122280.db2.gz HJBHMYMTLORVKQ-OLZOCXBDSA-N 1 1 382.258 3.056 20 5 GGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267907453 565133926 /nfs/dbraw/zinc/13/39/26/565133926.db2.gz BQJQPOXDWPYHJQ-VIFPVBQESA-N 1 1 399.220 3.067 20 5 GGBDMO CCC[N@H+](CCc1cccs1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000184516879 565140683 /nfs/dbraw/zinc/14/06/83/565140683.db2.gz MFSWPKGNVIINBJ-UHFFFAOYSA-N 1 1 382.507 3.385 20 5 GGBDMO CCC[N@@H+](CCc1cccs1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000184516879 565140688 /nfs/dbraw/zinc/14/06/88/565140688.db2.gz MFSWPKGNVIINBJ-UHFFFAOYSA-N 1 1 382.507 3.385 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000269631228 565196973 /nfs/dbraw/zinc/19/69/73/565196973.db2.gz WGYYSRDJSHQXPL-UHFFFAOYSA-N 1 1 381.230 3.025 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCC[C@@H](C)C1 ZINC000159872826 565221793 /nfs/dbraw/zinc/22/17/93/565221793.db2.gz JPMGXJBQGHBSJU-NEPJUHHUSA-N 1 1 384.274 3.208 20 5 GGBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1Br ZINC000295433895 565265671 /nfs/dbraw/zinc/26/56/71/565265671.db2.gz VZTVRDMECBDQDJ-IAGOWNOFSA-N 1 1 395.253 3.056 20 5 GGBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1Br ZINC000295433893 565265929 /nfs/dbraw/zinc/26/59/29/565265929.db2.gz VZTVRDMECBDQDJ-DLBZAZTESA-N 1 1 395.253 3.056 20 5 GGBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161912269 565297683 /nfs/dbraw/zinc/29/76/83/565297683.db2.gz MLDGEIWFFXQTOP-RISCZKNCSA-N 1 1 381.274 3.205 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000273158480 565310588 /nfs/dbraw/zinc/31/05/88/565310588.db2.gz YUDYDGGCJSQSEN-OAHLLOKOSA-N 1 1 381.226 3.189 20 5 GGBDMO Cc1c(Br)cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000163738959 565351447 /nfs/dbraw/zinc/35/14/47/565351447.db2.gz HVNKUWYEIJGQEM-CQSZACIVSA-N 1 1 396.241 3.291 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297204814 565362281 /nfs/dbraw/zinc/36/22/81/565362281.db2.gz YRBWEZPRTQXZNH-YOGCLGLASA-N 1 1 382.258 3.021 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000375042802 565365398 /nfs/dbraw/zinc/36/53/98/565365398.db2.gz NBPOOJCTDOFKCY-NWDGAFQWSA-N 1 1 382.258 3.022 20 5 GGBDMO Cc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)c1 ZINC000301707614 565505615 /nfs/dbraw/zinc/50/56/15/565505615.db2.gz JCTMYZJELXMDPU-UHFFFAOYSA-N 1 1 377.242 3.387 20 5 GGBDMO Cc1cccc(C[NH+]2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000301700933 565505660 /nfs/dbraw/zinc/50/56/60/565505660.db2.gz SLXATLATHRZELT-UHFFFAOYSA-N 1 1 391.269 3.383 20 5 GGBDMO O=[N+]([O-])c1cc(Br)cnc1NCC[N@@H+]1CCc2sccc2C1 ZINC000301698839 565505944 /nfs/dbraw/zinc/50/59/44/565505944.db2.gz RHCXRRMBOLOWEY-UHFFFAOYSA-N 1 1 383.271 3.284 20 5 GGBDMO O=[N+]([O-])c1cc(Br)cnc1NCC[N@H+]1CCc2sccc2C1 ZINC000301698839 565505946 /nfs/dbraw/zinc/50/59/46/565505946.db2.gz RHCXRRMBOLOWEY-UHFFFAOYSA-N 1 1 383.271 3.284 20 5 GGBDMO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1 ZINC000302222596 565537453 /nfs/dbraw/zinc/53/74/53/565537453.db2.gz NAUFKGJWRDTMFD-UHFFFAOYSA-N 1 1 392.257 3.224 20 5 GGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302402614 565541050 /nfs/dbraw/zinc/54/10/50/565541050.db2.gz FVDKWBQSTYENNG-GUTXKFCHSA-N 1 1 398.301 3.435 20 5 GGBDMO C[C@H](O)C[N@H+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302384267 565541219 /nfs/dbraw/zinc/54/12/19/565541219.db2.gz AJJQWTHUBSWNPD-UWVGGRQHSA-N 1 1 381.782 3.158 20 5 GGBDMO C[C@@H](O)C[N@H+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302384270 565541400 /nfs/dbraw/zinc/54/14/00/565541400.db2.gz AJJQWTHUBSWNPD-VHSXEESVSA-N 1 1 381.782 3.158 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000408005677 565591001 /nfs/dbraw/zinc/59/10/01/565591001.db2.gz RVCMRUMVTKLNOA-WBMJQRKESA-N 1 1 396.285 3.222 20 5 GGBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000408356546 565606419 /nfs/dbraw/zinc/60/64/19/565606419.db2.gz ZPFNYGSZOREDFX-GFCCVEGCSA-N 1 1 384.274 3.047 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000174739040 565654776 /nfs/dbraw/zinc/65/47/76/565654776.db2.gz HYDJNYZSBFIYBK-BBRMVZONSA-N 1 1 385.251 3.296 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000174739040 565654778 /nfs/dbraw/zinc/65/47/78/565654778.db2.gz HYDJNYZSBFIYBK-BBRMVZONSA-N 1 1 385.251 3.296 20 5 GGBDMO CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174740411 565654810 /nfs/dbraw/zinc/65/48/10/565654810.db2.gz VOXSDSBPLKWKIL-CQSZACIVSA-N 1 1 387.267 3.370 20 5 GGBDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000280288149 565663649 /nfs/dbraw/zinc/66/36/49/565663649.db2.gz DZLMDWVAMMUHLR-WDEREUQCSA-N 1 1 393.241 3.430 20 5 GGBDMO CCCn1cc[nH+]c1CCCN(C)c1c(Br)cncc1[N+](=O)[O-] ZINC000192235087 565672716 /nfs/dbraw/zinc/67/27/16/565672716.db2.gz SVUPOXPKKJRYAF-UHFFFAOYSA-N 1 1 382.262 3.428 20 5 GGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000175017686 565673954 /nfs/dbraw/zinc/67/39/54/565673954.db2.gz PSCSGWZJINIEBC-DGCLKSJQSA-N 1 1 382.258 3.056 20 5 GGBDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000280536623 565678649 /nfs/dbraw/zinc/67/86/49/565678649.db2.gz PLEKLGPPFQSFCW-WDEREUQCSA-N 1 1 393.241 3.430 20 5 GGBDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000280536613 565679213 /nfs/dbraw/zinc/67/92/13/565679213.db2.gz PLEKLGPPFQSFCW-GHMZBOCLSA-N 1 1 393.241 3.430 20 5 GGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000280617484 565683529 /nfs/dbraw/zinc/68/35/29/565683529.db2.gz WHSOKISRWLYKBU-MNOVXSKESA-N 1 1 393.241 3.430 20 5 GGBDMO Cc1c(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000280740084 565692800 /nfs/dbraw/zinc/69/28/00/565692800.db2.gz LKPGMXVWVJFXMO-IAQYHMDHSA-N 1 1 397.273 3.224 20 5 GGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000331146924 565742324 /nfs/dbraw/zinc/74/23/24/565742324.db2.gz AQZXFJPXIGTOKL-ZDUSSCGKSA-N 1 1 384.274 3.304 20 5 GGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000331146922 565742718 /nfs/dbraw/zinc/74/27/18/565742718.db2.gz AQZXFJPXIGTOKL-CYBMUJFWSA-N 1 1 384.274 3.304 20 5 GGBDMO C[N@@H+](Cc1ccccc1Br)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315815 565744730 /nfs/dbraw/zinc/74/47/30/565744730.db2.gz ZXVXPAJKOFPEJH-AWEZNQCLSA-N 1 1 395.253 3.229 20 5 GGBDMO C[N@H+](Cc1ccccc1Br)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315815 565744733 /nfs/dbraw/zinc/74/47/33/565744733.db2.gz ZXVXPAJKOFPEJH-AWEZNQCLSA-N 1 1 395.253 3.229 20 5 GGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@]2(CO)CCOc3ccccc32)ccc1Br ZINC000282458845 565780442 /nfs/dbraw/zinc/78/04/42/565780442.db2.gz SXNWXRQXZXLGEM-QGZVFWFLSA-N 1 1 393.237 3.117 20 5 GGBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000331948034 565795507 /nfs/dbraw/zinc/79/55/07/565795507.db2.gz OEJCXHJETFFGMD-LBPRGKRZSA-N 1 1 382.258 3.104 20 5 GGBDMO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000176986024 565820661 /nfs/dbraw/zinc/82/06/61/565820661.db2.gz LTGSVXVZXRBKMS-NEPJUHHUSA-N 1 1 384.274 3.208 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@@H+](CCCO)Cc2ccccn2)ccc1Br ZINC000283641958 565824412 /nfs/dbraw/zinc/82/44/12/565824412.db2.gz ARSGPXSULZNFGV-UHFFFAOYSA-N 1 1 380.242 3.137 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@H+](CCCO)Cc2ccccn2)ccc1Br ZINC000283641958 565824417 /nfs/dbraw/zinc/82/44/17/565824417.db2.gz ARSGPXSULZNFGV-UHFFFAOYSA-N 1 1 380.242 3.137 20 5 GGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177056952 565825136 /nfs/dbraw/zinc/82/51/36/565825136.db2.gz OSTHSYJYAZXVIF-GFCCVEGCSA-N 1 1 384.274 3.208 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332308317 565827726 /nfs/dbraw/zinc/82/77/26/565827726.db2.gz MATLBPRZWLVUOF-LSDHHAIUSA-N 1 1 382.258 3.022 20 5 GGBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000332496228 565840302 /nfs/dbraw/zinc/84/03/02/565840302.db2.gz BVULCPCLHYJHGU-DGCLKSJQSA-N 1 1 382.258 3.056 20 5 GGBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332595749 565846107 /nfs/dbraw/zinc/84/61/07/565846107.db2.gz GQMLTZGJCUSYAB-QWHCGFSZSA-N 1 1 382.258 3.056 20 5 GGBDMO Cc1c(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332598536 565846260 /nfs/dbraw/zinc/84/62/60/565846260.db2.gz MNNCPHJQWONDPD-CYBMUJFWSA-N 1 1 397.273 3.368 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000284263226 565847779 /nfs/dbraw/zinc/84/77/79/565847779.db2.gz HCBPNKROCOUPEO-UHFFFAOYSA-N 1 1 395.257 3.381 20 5 GGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000284456222 565853763 /nfs/dbraw/zinc/85/37/63/565853763.db2.gz WDRZQNCDJZCXGD-GFCCVEGCSA-N 1 1 384.274 3.080 20 5 GGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000284491237 565856649 /nfs/dbraw/zinc/85/66/49/565856649.db2.gz YMVOKAARNUDHIK-ZDUSSCGKSA-N 1 1 398.301 3.470 20 5 GGBDMO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286298169 565953187 /nfs/dbraw/zinc/95/31/87/565953187.db2.gz SHSHFVUPVMYVQV-PBWFPOADSA-N 1 1 383.901 3.424 20 5 GGBDMO CS(=O)(=O)CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237309241 565956983 /nfs/dbraw/zinc/95/69/83/565956983.db2.gz SXQWOKVXLGYEGH-UHFFFAOYSA-N 1 1 384.841 3.175 20 5 GGBDMO [NH3+]CC(F)(F)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414921677 565965304 /nfs/dbraw/zinc/96/53/04/565965304.db2.gz BGQUMZPJNYQSMH-UHFFFAOYSA-N 1 1 390.184 3.301 20 5 GGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245697349 566001944 /nfs/dbraw/zinc/00/19/44/566001944.db2.gz SJWZFPYGVXNAPB-KGLIPLIRSA-N 1 1 382.258 3.056 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)cs2)c1 ZINC000245754470 566004719 /nfs/dbraw/zinc/00/47/19/566004719.db2.gz HLSUBQDAEMKWJT-CVEARBPZSA-N 1 1 377.491 3.425 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCS[C@H]4COCC[C@H]43)cs2)c1 ZINC000245754470 566004724 /nfs/dbraw/zinc/00/47/24/566004724.db2.gz HLSUBQDAEMKWJT-CVEARBPZSA-N 1 1 377.491 3.425 20 5 GGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+]1CCC[C@H](C)C1 ZINC000246176201 566019613 /nfs/dbraw/zinc/01/96/13/566019613.db2.gz JPMGXJBQGHBSJU-NWDGAFQWSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000246400846 566028172 /nfs/dbraw/zinc/02/81/72/566028172.db2.gz ALDYSCUOIGBHKX-RYUDHWBXSA-N 1 1 384.274 3.208 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000246685115 566037181 /nfs/dbraw/zinc/03/71/81/566037181.db2.gz HYDJNYZSBFIYBK-CZUORRHYSA-N 1 1 385.251 3.296 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000246685115 566037185 /nfs/dbraw/zinc/03/71/85/566037185.db2.gz HYDJNYZSBFIYBK-CZUORRHYSA-N 1 1 385.251 3.296 20 5 GGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000247069373 566051721 /nfs/dbraw/zinc/05/17/21/566051721.db2.gz PREDRLWEQMGKDG-XQQFMLRXSA-N 1 1 398.301 3.454 20 5 GGBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000364913414 566076013 /nfs/dbraw/zinc/07/60/13/566076013.db2.gz CQSGPAWENPOKQW-UHFFFAOYSA-N 1 1 382.258 3.058 20 5 GGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000248461513 566078762 /nfs/dbraw/zinc/07/87/62/566078762.db2.gz VBGLXWNRGSNQOF-GXTWGEPZSA-N 1 1 383.901 3.283 20 5 GGBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000289567539 566128329 /nfs/dbraw/zinc/12/83/29/566128329.db2.gz ROBZXHSSCXSDNI-CYBMUJFWSA-N 1 1 398.204 3.090 20 5 GGBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000289567539 566128334 /nfs/dbraw/zinc/12/83/34/566128334.db2.gz ROBZXHSSCXSDNI-CYBMUJFWSA-N 1 1 398.204 3.090 20 5 GGBDMO CCN1CC[NH+]([C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000289750846 566138803 /nfs/dbraw/zinc/13/88/03/566138803.db2.gz IVQNECZHLPDJLR-HNNXBMFYSA-N 1 1 387.311 3.113 20 5 GGBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000366960368 566178464 /nfs/dbraw/zinc/17/84/64/566178464.db2.gz HLRZLAPLIODSOX-MRXNPFEDSA-N 1 1 390.237 3.274 20 5 GGBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000366960368 566178470 /nfs/dbraw/zinc/17/84/70/566178470.db2.gz HLRZLAPLIODSOX-MRXNPFEDSA-N 1 1 390.237 3.274 20 5 GGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)n1 ZINC000599526491 566272655 /nfs/dbraw/zinc/27/26/55/566272655.db2.gz MZKJAFGATPQLFM-CQSZACIVSA-N 1 1 397.298 3.420 20 5 GGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599620075 566280378 /nfs/dbraw/zinc/28/03/78/566280378.db2.gz ZSWWZDMYHPFSKG-CYBMUJFWSA-N 1 1 396.285 3.161 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599709695 566289906 /nfs/dbraw/zinc/28/99/06/566289906.db2.gz VMUFMRDQEPYTSV-ZDUSSCGKSA-N 1 1 398.301 3.455 20 5 GGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599849691 566299477 /nfs/dbraw/zinc/29/94/77/566299477.db2.gz KVAQFAWPJROLDG-ZDUSSCGKSA-N 1 1 384.274 3.208 20 5 GGBDMO C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000599966119 566306130 /nfs/dbraw/zinc/30/61/30/566306130.db2.gz NSOCFCJFEJSCRH-GFCCVEGCSA-N 1 1 396.285 3.304 20 5 GGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000600085398 566314639 /nfs/dbraw/zinc/31/46/39/566314639.db2.gz LGNUKNJQMJOGAR-CHWSQXEVSA-N 1 1 382.258 3.104 20 5 GGBDMO Cc1c(Br)cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000509635516 566322547 /nfs/dbraw/zinc/32/25/47/566322547.db2.gz AXEMKELNRMEYIX-LLVKDONJSA-N 1 1 384.274 3.127 20 5 GGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2Cc2ccccc2Br)c1 ZINC000420959355 566331470 /nfs/dbraw/zinc/33/14/70/566331470.db2.gz FHSGRXFGGPARBA-CQSZACIVSA-N 1 1 379.258 3.261 20 5 GGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000446273461 566340455 /nfs/dbraw/zinc/34/04/55/566340455.db2.gz AHOVHNCXIFMUCB-GXTWGEPZSA-N 1 1 398.301 3.231 20 5 GGBDMO C[C@@H]1C[C@H](Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC[N@H+]1C ZINC000462875454 566362290 /nfs/dbraw/zinc/36/22/90/566362290.db2.gz MFUMJLXTTWRLLY-ZYHUDNBSSA-N 1 1 379.258 3.222 20 5 GGBDMO Cc1cc(CNc2c(Br)cncc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000576751114 566374582 /nfs/dbraw/zinc/37/45/82/566374582.db2.gz FHSAHZQWNGRDEP-UHFFFAOYSA-N 1 1 392.257 3.090 20 5 GGBDMO Cc1c(Br)cc(C(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000510481156 566386772 /nfs/dbraw/zinc/38/67/72/566386772.db2.gz WFADVKBJWQFVHY-UHFFFAOYSA-N 1 1 384.274 3.270 20 5 GGBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C2 ZINC000601184478 566395389 /nfs/dbraw/zinc/39/53/89/566395389.db2.gz MAPKZHKBCRSVKT-SNVBAGLBSA-N 1 1 385.251 3.368 20 5 GGBDMO C[N@@H+](CCc1cccc(Br)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000463426895 566411289 /nfs/dbraw/zinc/41/12/89/566411289.db2.gz CVXPZBVSPFVLKW-UHFFFAOYSA-N 1 1 392.253 3.131 20 5 GGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cs1 ZINC000537289378 566435748 /nfs/dbraw/zinc/43/57/48/566435748.db2.gz VMJJLTBNKBODTN-UHFFFAOYSA-N 1 1 385.239 3.480 20 5 GGBDMO Cc1cc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc[nH+]1 ZINC000463844153 566437530 /nfs/dbraw/zinc/43/75/30/566437530.db2.gz BCNPEEZEMGAMQY-UHFFFAOYSA-N 1 1 375.328 3.142 20 5 GGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000511120094 566439205 /nfs/dbraw/zinc/43/92/05/566439205.db2.gz HEZKADLAECJKLG-MRXNPFEDSA-N 1 1 392.253 3.058 20 5 GGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000511120094 566439213 /nfs/dbraw/zinc/43/92/13/566439213.db2.gz HEZKADLAECJKLG-MRXNPFEDSA-N 1 1 392.253 3.058 20 5 GGBDMO COC[C@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000558457547 566474522 /nfs/dbraw/zinc/47/45/22/566474522.db2.gz USCPMZHDQDXLQM-NSHDSACASA-N 1 1 390.221 3.058 20 5 GGBDMO COC[C@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000558457547 566474527 /nfs/dbraw/zinc/47/45/27/566474527.db2.gz USCPMZHDQDXLQM-NSHDSACASA-N 1 1 390.221 3.058 20 5 GGBDMO CCNC(=O)c1cccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c1 ZINC000602522642 566475484 /nfs/dbraw/zinc/47/54/84/566475484.db2.gz VQQBKBHWECABCN-UHFFFAOYSA-N 1 1 398.282 3.458 20 5 GGBDMO O=[N+]([O-])c1sc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1Br ZINC000602574826 566477748 /nfs/dbraw/zinc/47/77/48/566477748.db2.gz DPGBDRGLQXBZER-UHFFFAOYSA-N 1 1 399.192 3.467 20 5 GGBDMO CC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H](O)C(F)(F)F ZINC000602582834 566479621 /nfs/dbraw/zinc/47/96/21/566479621.db2.gz XXSWYDAQBMHWIX-SFYZADRCSA-N 1 1 377.182 3.210 20 5 GGBDMO O=[N+]([O-])c1sc(C[NH2+][C@]2(CO)CCc3ccccc32)cc1Br ZINC000602581340 566479760 /nfs/dbraw/zinc/47/97/60/566479760.db2.gz ICSMHFTYZPXKHY-HNNXBMFYSA-N 1 1 383.267 3.342 20 5 GGBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000603864649 566544556 /nfs/dbraw/zinc/54/45/56/566544556.db2.gz GKFAQIIHZVDCBR-STQMWFEESA-N 1 1 391.269 3.366 20 5 GGBDMO C[N@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604016317 566550884 /nfs/dbraw/zinc/55/08/84/566550884.db2.gz PDOYDJABRMZJPF-MRXNPFEDSA-N 1 1 395.253 3.229 20 5 GGBDMO COC[C@@]1(C)CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449394667 566555562 /nfs/dbraw/zinc/55/55/62/566555562.db2.gz OITAJSRMFYWPKL-AWEZNQCLSA-N 1 1 390.221 3.058 20 5 GGBDMO COC[C@@]1(C)CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449394667 566555568 /nfs/dbraw/zinc/55/55/68/566555568.db2.gz OITAJSRMFYWPKL-AWEZNQCLSA-N 1 1 390.221 3.058 20 5 GGBDMO COC[C@]1(C)CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449394668 566556005 /nfs/dbraw/zinc/55/60/05/566556005.db2.gz OITAJSRMFYWPKL-CQSZACIVSA-N 1 1 390.221 3.058 20 5 GGBDMO COC[C@]1(C)CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449394668 566556012 /nfs/dbraw/zinc/55/60/12/566556012.db2.gz OITAJSRMFYWPKL-CQSZACIVSA-N 1 1 390.221 3.058 20 5 GGBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000559553081 566557664 /nfs/dbraw/zinc/55/76/64/566557664.db2.gz YTPJRBGKCHWEOP-LBPRGKRZSA-N 1 1 384.274 3.127 20 5 GGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@@H]1C ZINC000579137092 566584098 /nfs/dbraw/zinc/58/40/98/566584098.db2.gz BHLDUVOZYGVAPD-QWRGUYRKSA-N 1 1 384.274 3.220 20 5 GGBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425401835 566639333 /nfs/dbraw/zinc/63/93/33/566639333.db2.gz QRQPHDLTNZBPSU-CYBMUJFWSA-N 1 1 384.274 3.096 20 5 GGBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425401835 566639341 /nfs/dbraw/zinc/63/93/41/566639341.db2.gz QRQPHDLTNZBPSU-CYBMUJFWSA-N 1 1 384.274 3.096 20 5 GGBDMO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425455296 566645182 /nfs/dbraw/zinc/64/51/82/566645182.db2.gz GEBPWLNVCUVHNS-AWEZNQCLSA-N 1 1 384.274 3.238 20 5 GGBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425455296 566645184 /nfs/dbraw/zinc/64/51/84/566645184.db2.gz GEBPWLNVCUVHNS-AWEZNQCLSA-N 1 1 384.274 3.238 20 5 GGBDMO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425453960 566645257 /nfs/dbraw/zinc/64/52/57/566645257.db2.gz CSDIDXJYNITQMA-ZDUSSCGKSA-N 1 1 384.274 3.096 20 5 GGBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425453960 566645264 /nfs/dbraw/zinc/64/52/64/566645264.db2.gz CSDIDXJYNITQMA-ZDUSSCGKSA-N 1 1 384.274 3.096 20 5 GGBDMO O=[N+]([O-])c1ccc(O)cc1CN[C@H](CCO)c1ccccc1Br ZINC000561033398 566670399 /nfs/dbraw/zinc/67/03/99/566670399.db2.gz KGYQTJUBFMBCAX-OAHLLOKOSA-N 1 1 381.226 3.276 20 5 GGBDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000468457468 566702356 /nfs/dbraw/zinc/70/23/56/566702356.db2.gz BLDCJSVOMCZLRH-SNVBAGLBSA-N 1 1 390.303 3.269 20 5 GGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000468457468 566702361 /nfs/dbraw/zinc/70/23/61/566702361.db2.gz BLDCJSVOMCZLRH-SNVBAGLBSA-N 1 1 390.303 3.269 20 5 GGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1c(Br)cncc1[N+](=O)[O-] ZINC000561434706 566704600 /nfs/dbraw/zinc/70/46/00/566704600.db2.gz GATYSUJCOIOYDR-UHFFFAOYSA-N 1 1 383.246 3.304 20 5 GGBDMO C[N@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541280779 566711120 /nfs/dbraw/zinc/71/11/20/566711120.db2.gz KBXFPGWICCTEDI-HNNXBMFYSA-N 1 1 395.253 3.229 20 5 GGBDMO COc1ccc(C[N@H+](CCO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000488241058 566717438 /nfs/dbraw/zinc/71/74/38/566717438.db2.gz COHZRYXLUAGANU-UHFFFAOYSA-N 1 1 395.253 3.360 20 5 GGBDMO COc1ccc(C[N@@H+](CCO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000488241058 566717445 /nfs/dbraw/zinc/71/74/45/566717445.db2.gz COHZRYXLUAGANU-UHFFFAOYSA-N 1 1 395.253 3.360 20 5 GGBDMO CCCC[N@@H+](C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562067962 566762658 /nfs/dbraw/zinc/76/26/58/566762658.db2.gz CDIRNYZXYQFDQA-UHFFFAOYSA-N 1 1 391.253 3.021 20 5 GGBDMO CCCCN(C)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562067962 566762663 /nfs/dbraw/zinc/76/26/63/566762663.db2.gz CDIRNYZXYQFDQA-UHFFFAOYSA-N 1 1 391.253 3.021 20 5 GGBDMO CCN(CC)C[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000516516020 566765609 /nfs/dbraw/zinc/76/56/09/566765609.db2.gz DLBWNYINBCPUMT-LLVKDONJSA-N 1 1 391.253 3.019 20 5 GGBDMO CC(C)[N@H+]1CC[C@@H](CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000609560675 566770236 /nfs/dbraw/zinc/77/02/36/566770236.db2.gz JLBXMPJFHHCYRB-LBPRGKRZSA-N 1 1 393.285 3.470 20 5 GGBDMO Cc1c(Br)c(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000542507663 566806910 /nfs/dbraw/zinc/80/69/10/566806910.db2.gz SFOISIWBEJBQLO-ZDUSSCGKSA-N 1 1 383.290 3.229 20 5 GGBDMO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000469866791 566821797 /nfs/dbraw/zinc/82/17/97/566821797.db2.gz NUVNQXXSIUTXAP-HNNXBMFYSA-N 1 1 377.491 3.004 20 5 GGBDMO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000469866791 566821804 /nfs/dbraw/zinc/82/18/04/566821804.db2.gz NUVNQXXSIUTXAP-HNNXBMFYSA-N 1 1 377.491 3.004 20 5 GGBDMO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000610576945 566844755 /nfs/dbraw/zinc/84/47/55/566844755.db2.gz KIYKROSMNBTDBC-LLVKDONJSA-N 1 1 396.296 3.054 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000428785933 566877856 /nfs/dbraw/zinc/87/78/56/566877856.db2.gz MPGOHIDXNZPQMM-HNNXBMFYSA-N 1 1 381.226 3.189 20 5 GGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658824 566898471 /nfs/dbraw/zinc/89/84/71/566898471.db2.gz UILINFKHJKYDMH-GFCCVEGCSA-N 1 1 389.905 3.037 20 5 GGBDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000452101344 566934693 /nfs/dbraw/zinc/93/46/93/566934693.db2.gz GFICPBKVZNDBGS-LLVKDONJSA-N 1 1 396.296 3.005 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452175157 566948040 /nfs/dbraw/zinc/94/80/40/566948040.db2.gz SBHDAVPJYZRXRD-NSHDSACASA-N 1 1 396.285 3.222 20 5 GGBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000584082436 567009866 /nfs/dbraw/zinc/00/98/66/567009866.db2.gz RJFAMRWLEIEWOI-VIFPVBQESA-N 1 1 396.216 3.446 20 5 GGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000431326702 567075440 /nfs/dbraw/zinc/07/54/40/567075440.db2.gz NSOBKBPDXLFRLF-CYBMUJFWSA-N 1 1 396.285 3.161 20 5 GGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431507084 567086464 /nfs/dbraw/zinc/08/64/64/567086464.db2.gz RDQVTKSHPRKCER-OAHLLOKOSA-N 1 1 396.285 3.352 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000431641684 567099308 /nfs/dbraw/zinc/09/93/08/567099308.db2.gz WQBBYTSTIYAHIE-NEPJUHHUSA-N 1 1 384.274 3.350 20 5 GGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431954739 567120171 /nfs/dbraw/zinc/12/01/71/567120171.db2.gz ZMCCAVYTOGQHBO-AWEZNQCLSA-N 1 1 384.274 3.352 20 5 GGBDMO Cc1c(Br)cc(C(=O)NCC[N@@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000546577864 567139515 /nfs/dbraw/zinc/13/95/15/567139515.db2.gz WOUXPAJBASPHHQ-UHFFFAOYSA-N 1 1 382.258 3.048 20 5 GGBDMO CO[C@H]1CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000589258464 567169433 /nfs/dbraw/zinc/16/94/33/567169433.db2.gz CQCIDZYGZUFPLN-AWEZNQCLSA-N 1 1 390.221 3.200 20 5 GGBDMO CO[C@H]1CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000589258464 567169429 /nfs/dbraw/zinc/16/94/29/567169429.db2.gz CQCIDZYGZUFPLN-AWEZNQCLSA-N 1 1 390.221 3.200 20 5 GGBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589255821 567170313 /nfs/dbraw/zinc/17/03/13/567170313.db2.gz YDHNDCSVIBADGF-VIFPVBQESA-N 1 1 387.177 3.070 20 5 GGBDMO C[N@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000432753780 567186342 /nfs/dbraw/zinc/18/63/42/567186342.db2.gz WRONRBNZSMLPQL-UHFFFAOYSA-N 1 1 396.285 3.448 20 5 GGBDMO Cc1ccccc1C[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000474779491 567199362 /nfs/dbraw/zinc/19/93/62/567199362.db2.gz IWXOBNCQGJHFNT-UHFFFAOYSA-N 1 1 391.269 3.383 20 5 GGBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000590536883 567230759 /nfs/dbraw/zinc/23/07/59/567230759.db2.gz CMTMBWAIPWVGHX-LBPRGKRZSA-N 1 1 384.274 3.222 20 5 GGBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000547788904 567247156 /nfs/dbraw/zinc/24/71/56/567247156.db2.gz ZJSNUKCPTOAGFS-CQSZACIVSA-N 1 1 389.283 3.256 20 5 GGBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000547788903 567247230 /nfs/dbraw/zinc/24/72/30/567247230.db2.gz ZJSNUKCPTOAGFS-AWEZNQCLSA-N 1 1 389.283 3.256 20 5 GGBDMO NC(=O)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000475431859 567249001 /nfs/dbraw/zinc/24/90/01/567249001.db2.gz PNPSIVLYIAFYDD-OUOZUETKSA-N 1 1 390.237 3.187 20 5 GGBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000567795714 567278449 /nfs/dbraw/zinc/27/84/49/567278449.db2.gz KASYVMZZQXUVTF-CQSZACIVSA-N 1 1 390.221 3.200 20 5 GGBDMO C[N@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000433966429 567285663 /nfs/dbraw/zinc/28/56/63/567285663.db2.gz HZZJILPJKDCCMO-UHFFFAOYSA-N 1 1 396.285 3.448 20 5 GGBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000591840790 567300973 /nfs/dbraw/zinc/30/09/73/567300973.db2.gz PZRIWPPTYNKAGS-INIZCTEOSA-N 1 1 398.301 3.044 20 5 GGBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000591845280 567302155 /nfs/dbraw/zinc/30/21/55/567302155.db2.gz DPSNDJWFBCMPPR-KRWDZBQOSA-N 1 1 377.238 3.281 20 5 GGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434443188 567308421 /nfs/dbraw/zinc/30/84/21/567308421.db2.gz VLHDUJBCCKCTCF-CQSZACIVSA-N 1 1 383.901 3.473 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(c3ccccc3Cl)CC2)cc1 ZINC000592137096 567316549 /nfs/dbraw/zinc/31/65/49/567316549.db2.gz CMOBBYKBEHWYPU-UHFFFAOYSA-N 1 1 380.853 3.301 20 5 GGBDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000500696925 567339656 /nfs/dbraw/zinc/33/96/56/567339656.db2.gz KTUGRVZVWJELSH-UHFFFAOYSA-N 1 1 383.857 3.005 20 5 GGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000548926836 567362045 /nfs/dbraw/zinc/36/20/45/567362045.db2.gz CXSALABQYOGSFR-MRXNPFEDSA-N 1 1 392.253 3.058 20 5 GGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000548926836 567362049 /nfs/dbraw/zinc/36/20/49/567362049.db2.gz CXSALABQYOGSFR-MRXNPFEDSA-N 1 1 392.253 3.058 20 5 GGBDMO CCCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592829770 567368467 /nfs/dbraw/zinc/36/84/67/567368467.db2.gz YJBXERFDNANUSQ-ZDUSSCGKSA-N 1 1 384.274 3.222 20 5 GGBDMO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000593666234 567433287 /nfs/dbraw/zinc/43/32/87/567433287.db2.gz NKFQJWNRHSKZHN-UHFFFAOYSA-N 1 1 396.296 3.008 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000550263615 567436774 /nfs/dbraw/zinc/43/67/74/567436774.db2.gz QFZGONQJMLKSSJ-AWEZNQCLSA-N 1 1 396.241 3.291 20 5 GGBDMO Cc1c(Br)cc(C(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000457172183 567446996 /nfs/dbraw/zinc/44/69/96/567446996.db2.gz TXGOBNMWWSCCJG-UHFFFAOYSA-N 1 1 384.274 3.270 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594198081 567464207 /nfs/dbraw/zinc/46/42/07/567464207.db2.gz RITLCQDSGSSYAW-JKSUJKDBSA-N 1 1 396.285 3.412 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594197876 567464359 /nfs/dbraw/zinc/46/43/59/567464359.db2.gz RITLCQDSGSSYAW-CVEARBPZSA-N 1 1 396.285 3.412 20 5 GGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1sc(Br)cc1[N+](=O)[O-] ZINC000594195939 567465078 /nfs/dbraw/zinc/46/50/78/567465078.db2.gz JEHQNAHIHQTDME-VHSXEESVSA-N 1 1 388.287 3.166 20 5 GGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594196071 567465424 /nfs/dbraw/zinc/46/54/24/567465424.db2.gz KPGRPXRUPKUQDF-KBPBESRZSA-N 1 1 382.258 3.104 20 5 GGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594198080 567465469 /nfs/dbraw/zinc/46/54/69/567465469.db2.gz RITLCQDSGSSYAW-HZPDHXFCSA-N 1 1 396.285 3.412 20 5 GGBDMO Cc1[nH+]ccn1CCCOc1ccc(I)cc1[N+](=O)[O-] ZINC000478899487 567489849 /nfs/dbraw/zinc/48/98/49/567489849.db2.gz MGZIEFGJRGYLOY-UHFFFAOYSA-N 1 1 387.177 3.173 20 5 GGBDMO Cn1cc[nH+]c1N1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000503562704 567493835 /nfs/dbraw/zinc/49/38/35/567493835.db2.gz MAJUIDZUGZLDKZ-UHFFFAOYSA-N 1 1 380.246 3.172 20 5 GGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000505663255 567589660 /nfs/dbraw/zinc/58/96/60/567589660.db2.gz YHLYOZMTQHBFFM-KRWDZBQOSA-N 1 1 383.901 3.285 20 5 GGBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000505902914 567602598 /nfs/dbraw/zinc/60/25/98/567602598.db2.gz DLRNHZXWWZIQNL-UHFFFAOYSA-N 1 1 388.181 3.190 20 5 GGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596081625 567606844 /nfs/dbraw/zinc/60/68/44/567606844.db2.gz IIIUXAZJXCXSHG-ZDUSSCGKSA-N 1 1 385.306 3.043 20 5 GGBDMO Cn1cc[nH+]c1N1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596207445 567616062 /nfs/dbraw/zinc/61/60/62/567616062.db2.gz QQLRKTNIVYQTCF-UHFFFAOYSA-N 1 1 380.246 3.172 20 5 GGBDMO Cc1c(Br)c(NC[C@H]2CCC[N@@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000596569711 567641804 /nfs/dbraw/zinc/64/18/04/567641804.db2.gz CUJDUVDCCPFXGI-CYBMUJFWSA-N 1 1 383.290 3.017 20 5 GGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000553693566 567676463 /nfs/dbraw/zinc/67/64/63/567676463.db2.gz DJCDMVXDTMIQMX-LBPRGKRZSA-N 1 1 384.274 3.270 20 5 GGBDMO Cc1c(Br)cncc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000597116556 567683923 /nfs/dbraw/zinc/68/39/23/567683923.db2.gz GSWPUBYQJYXQBF-UHFFFAOYSA-N 1 1 380.246 3.094 20 5 GGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128688 567711135 /nfs/dbraw/zinc/71/11/35/567711135.db2.gz QFZDRTPXSUIFFU-ZOWXZIJZSA-N 1 1 396.285 3.160 20 5 GGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128686 567711606 /nfs/dbraw/zinc/71/16/06/567711606.db2.gz QFZDRTPXSUIFFU-SLEUVZQESA-N 1 1 396.285 3.160 20 5 GGBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000597709742 567712357 /nfs/dbraw/zinc/71/23/57/567712357.db2.gz AUXTUXZOPZFWLB-KRWDZBQOSA-N 1 1 383.901 3.285 20 5 GGBDMO Cc1c(Br)cc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597710448 567712937 /nfs/dbraw/zinc/71/29/37/567712937.db2.gz MKIGARQAIZCMQA-KRWDZBQOSA-N 1 1 396.285 3.224 20 5 GGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597860974 567720781 /nfs/dbraw/zinc/72/07/81/567720781.db2.gz QMWDJDGGBLHTOB-NSHDSACASA-N 1 1 384.274 3.208 20 5 GGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597860973 567721246 /nfs/dbraw/zinc/72/12/46/567721246.db2.gz QMWDJDGGBLHTOB-LLVKDONJSA-N 1 1 384.274 3.208 20 5 GGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598220550 567748019 /nfs/dbraw/zinc/74/80/19/567748019.db2.gz QMRCCCWBXFYZPY-ZDUSSCGKSA-N 1 1 396.285 3.494 20 5 GGBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000443336917 567750212 /nfs/dbraw/zinc/75/02/12/567750212.db2.gz STZXXBNFWJMWFT-MRVPVSSYSA-N 1 1 384.255 3.369 20 5 GGBDMO C[N@H+](Cc1cccc(Br)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000533251412 567760525 /nfs/dbraw/zinc/76/05/25/567760525.db2.gz RJVJDVIHPVAQFX-UHFFFAOYSA-N 1 1 378.226 3.088 20 5 GGBDMO C[N@@H+](Cc1cccc(Br)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000533251412 567760527 /nfs/dbraw/zinc/76/05/27/567760527.db2.gz RJVJDVIHPVAQFX-UHFFFAOYSA-N 1 1 378.226 3.088 20 5 GGBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443504574 567764499 /nfs/dbraw/zinc/76/44/99/567764499.db2.gz YCYXAHNVLMIKHG-WDEREUQCSA-N 1 1 379.258 3.434 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598561338 567776568 /nfs/dbraw/zinc/77/65/68/567776568.db2.gz PUWAIYBCPDQGAB-ZDUSSCGKSA-N 1 1 396.285 3.209 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000598562991 567776677 /nfs/dbraw/zinc/77/66/77/567776677.db2.gz YOXWCOWALBDOPA-ZDUSSCGKSA-N 1 1 396.285 3.209 20 5 GGBDMO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1Cl ZINC000024891589 570332669 /nfs/dbraw/zinc/33/26/69/570332669.db2.gz OOZNTWYOOBHDPT-UHFFFAOYSA-N 1 1 388.855 3.399 20 5 GGBDMO CCN1CC[NH+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000032916246 570927802 /nfs/dbraw/zinc/92/78/02/570927802.db2.gz CVDUVOIRVPCMHU-UHFFFAOYSA-N 1 1 399.451 3.253 20 5 GGBDMO C[N@H+]1CCC[C@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000821623493 599581687 /nfs/dbraw/zinc/58/16/87/599581687.db2.gz MBRYVEQOBQKTGK-CXAGYDPISA-N 1 1 399.480 3.331 20 5 GGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000820571124 599635986 /nfs/dbraw/zinc/63/59/86/599635986.db2.gz WAUYYZLYPZKAOT-OAHLLOKOSA-N 1 1 393.451 3.048 20 5 GGBDMO C[C@@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820669138 606199362 /nfs/dbraw/zinc/19/93/62/606199362.db2.gz YWQMNHCEGRZQAP-PBHICJAKSA-N 1 1 393.451 3.240 20 5 GGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826498139 608462878 /nfs/dbraw/zinc/46/28/78/608462878.db2.gz IQQYUKUCWFZOCF-UHFFFAOYSA-N 1 1 376.420 3.107 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@H+](CC)Cc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000053086973 1406285182 /nfs/dbraw/zinc/28/51/82/1406285182.db2.gz RULIZNAGYHDCEZ-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)Cc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000053086973 1406285205 /nfs/dbraw/zinc/28/52/05/1406285205.db2.gz RULIZNAGYHDCEZ-UHFFFAOYSA-N 1 1 387.436 3.463 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000053233889 1406337587 /nfs/dbraw/zinc/33/75/87/1406337587.db2.gz VREBHNUHJDBLKK-PZJWPPBQSA-N 1 1 386.448 3.016 20 5 GGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000053370959 1406379672 /nfs/dbraw/zinc/37/96/72/1406379672.db2.gz FABZLMFLBNAASY-MRXNPFEDSA-N 1 1 385.468 3.022 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000053542930 1406436170 /nfs/dbraw/zinc/43/61/70/1406436170.db2.gz LUKFQNATHGJDAD-UHFFFAOYSA-N 1 1 397.475 3.325 20 5 GGBDMO CNC(=O)c1ccc(NC[C@H](c2ccccc2Cl)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053550976 1406440688 /nfs/dbraw/zinc/44/06/88/1406440688.db2.gz WJLVHTHDBVOPHB-QGZVFWFLSA-N 1 1 376.844 3.323 20 5 GGBDMO CC(C)NC(=O)c1ccc(NCC[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000053580086 1406451078 /nfs/dbraw/zinc/45/10/78/1406451078.db2.gz UZAKIHBUAIKOMX-UHFFFAOYSA-N 1 1 388.493 3.265 20 5 GGBDMO CC(C)NC(=O)c1ccc(NCC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000053580086 1406451083 /nfs/dbraw/zinc/45/10/83/1406451083.db2.gz UZAKIHBUAIKOMX-UHFFFAOYSA-N 1 1 388.493 3.265 20 5 GGBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000053686357 1406479216 /nfs/dbraw/zinc/47/92/16/1406479216.db2.gz QOVMJPDZLMCGSO-DOTOQJQBSA-N 1 1 389.477 3.017 20 5 GGBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000053686357 1406479222 /nfs/dbraw/zinc/47/92/22/1406479222.db2.gz QOVMJPDZLMCGSO-DOTOQJQBSA-N 1 1 389.477 3.017 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053812671 1406521675 /nfs/dbraw/zinc/52/16/75/1406521675.db2.gz TWAASDTZOPUHBQ-IYBDPMFKSA-N 1 1 399.495 3.093 20 5 GGBDMO CN(C(=O)C[NH+]1CCC(OCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000053844701 1406531562 /nfs/dbraw/zinc/53/15/62/1406531562.db2.gz AWWGUWWLWYFBGD-UHFFFAOYSA-N 1 1 383.448 3.239 20 5 GGBDMO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000053944838 1406561998 /nfs/dbraw/zinc/56/19/98/1406561998.db2.gz IVJFBNKBVOKUQT-UHFFFAOYSA-N 1 1 387.411 3.091 20 5 GGBDMO COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000053944838 1406562008 /nfs/dbraw/zinc/56/20/08/1406562008.db2.gz IVJFBNKBVOKUQT-UHFFFAOYSA-N 1 1 387.411 3.091 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000054167747 1406637585 /nfs/dbraw/zinc/63/75/85/1406637585.db2.gz DXDUJCIUHZEGRI-IRXDYDNUSA-N 1 1 397.475 3.177 20 5 GGBDMO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000054220706 1406656202 /nfs/dbraw/zinc/65/62/02/1406656202.db2.gz JSEQJVLYBZJUGL-UHFFFAOYSA-N 1 1 386.477 3.019 20 5 GGBDMO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000054220706 1406656209 /nfs/dbraw/zinc/65/62/09/1406656209.db2.gz JSEQJVLYBZJUGL-UHFFFAOYSA-N 1 1 386.477 3.019 20 5 GGBDMO C[N@@H+](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Cc1ccccc1 ZINC000054281504 1406676668 /nfs/dbraw/zinc/67/66/68/1406676668.db2.gz GQNTUJKUVRQAPC-UHFFFAOYSA-N 1 1 399.494 3.403 20 5 GGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000054286993 1406681938 /nfs/dbraw/zinc/68/19/38/1406681938.db2.gz MSIKBOVLIARODN-MRXNPFEDSA-N 1 1 388.512 3.435 20 5 GGBDMO CCOc1cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000054286729 1406681984 /nfs/dbraw/zinc/68/19/84/1406681984.db2.gz JHMMGFJLNNVJFP-AWEZNQCLSA-N 1 1 393.484 3.242 20 5 GGBDMO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000054359409 1406700340 /nfs/dbraw/zinc/70/03/40/1406700340.db2.gz WVOKEQJBXAILNO-SFHVURJKSA-N 1 1 382.464 3.419 20 5 GGBDMO Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054389691 1406713535 /nfs/dbraw/zinc/71/35/35/1406713535.db2.gz FHZGGSVXYAZUET-UHFFFAOYSA-N 1 1 390.447 3.077 20 5 GGBDMO CC(=O)Nc1cccc2c1CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000054389915 1406714987 /nfs/dbraw/zinc/71/49/87/1406714987.db2.gz VYNIHVVQEHMMCS-UHFFFAOYSA-N 1 1 396.447 3.249 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cn1 ZINC000054626353 1406790417 /nfs/dbraw/zinc/79/04/17/1406790417.db2.gz YIRIKSGEQXJAKO-CYBMUJFWSA-N 1 1 397.460 3.281 20 5 GGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000054718266 1406812085 /nfs/dbraw/zinc/81/20/85/1406812085.db2.gz BBHSJZBDCAQTTJ-LPHOPBHVSA-N 1 1 397.479 3.141 20 5 GGBDMO O=C(C[NH+]1CCC(c2ccc(O)cc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000055103324 1406885761 /nfs/dbraw/zinc/88/57/61/1406885761.db2.gz ZZEWFZPQLVZCOY-UHFFFAOYSA-N 1 1 381.432 3.069 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000055152362 1406894285 /nfs/dbraw/zinc/89/42/85/1406894285.db2.gz KANYXQLRHRLYKZ-NWDGAFQWSA-N 1 1 391.399 3.429 20 5 GGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000055402638 1406949211 /nfs/dbraw/zinc/94/92/11/1406949211.db2.gz FDQKGKNSCUYMLR-IAGOWNOFSA-N 1 1 388.512 3.048 20 5 GGBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000055425610 1406958891 /nfs/dbraw/zinc/95/88/91/1406958891.db2.gz UIXQQJGDBPCAFD-UHFFFAOYSA-N 1 1 376.416 3.101 20 5 GGBDMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000007453668 1398681782 /nfs/dbraw/zinc/68/17/82/1398681782.db2.gz ZPHSCBUSNRUGNI-CQSZACIVSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000007453668 1398681792 /nfs/dbraw/zinc/68/17/92/1398681792.db2.gz ZPHSCBUSNRUGNI-CQSZACIVSA-N 1 1 387.436 3.379 20 5 GGBDMO CS(=O)(=O)c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000007980146 1398785713 /nfs/dbraw/zinc/78/57/13/1398785713.db2.gz QEZOIQVTIURMLL-IBGZPJMESA-N 1 1 389.477 3.247 20 5 GGBDMO CCOc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000008367132 1398826867 /nfs/dbraw/zinc/82/68/67/1398826867.db2.gz CTYGHSSOIWVPKT-INIZCTEOSA-N 1 1 399.447 3.006 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000009982532 1398872343 /nfs/dbraw/zinc/87/23/43/1398872343.db2.gz HOUKQQNLEABWRQ-UHFFFAOYSA-N 1 1 386.408 3.063 20 5 GGBDMO CSc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000010234198 1398881879 /nfs/dbraw/zinc/88/18/79/1398881879.db2.gz MUEBLDONIQLBTI-UHFFFAOYSA-N 1 1 385.489 3.317 20 5 GGBDMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000012284436 1399036537 /nfs/dbraw/zinc/03/65/37/1399036537.db2.gz OPVVJUJIYHTTFI-OAHLLOKOSA-N 1 1 397.431 3.312 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014815001 1399122061 /nfs/dbraw/zinc/12/20/61/1399122061.db2.gz AKZSJSIJYNGEAJ-UHFFFAOYSA-N 1 1 376.416 3.101 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1F ZINC000015046890 1399134777 /nfs/dbraw/zinc/13/47/77/1399134777.db2.gz XZWQUODFKYDUSU-CYBMUJFWSA-N 1 1 391.399 3.080 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1F ZINC000015046890 1399134781 /nfs/dbraw/zinc/13/47/81/1399134781.db2.gz XZWQUODFKYDUSU-CYBMUJFWSA-N 1 1 391.399 3.080 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])c1 ZINC000015046689 1399135234 /nfs/dbraw/zinc/13/52/34/1399135234.db2.gz XGXFZGMJPZJOLX-CYBMUJFWSA-N 1 1 391.399 3.080 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])c1 ZINC000015046689 1399135239 /nfs/dbraw/zinc/13/52/39/1399135239.db2.gz XGXFZGMJPZJOLX-CYBMUJFWSA-N 1 1 391.399 3.080 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCOc1ccc(F)cc1 ZINC000015101749 1399139430 /nfs/dbraw/zinc/13/94/30/1399139430.db2.gz TUCLLOMVDRWISF-ZDUSSCGKSA-N 1 1 391.399 3.080 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000015101749 1399139434 /nfs/dbraw/zinc/13/94/34/1399139434.db2.gz TUCLLOMVDRWISF-ZDUSSCGKSA-N 1 1 391.399 3.080 20 5 GGBDMO C[N@H+](CCOc1ccc(F)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015101386 1399139481 /nfs/dbraw/zinc/13/94/81/1399139481.db2.gz IJGNHPPCVHDETF-UHFFFAOYSA-N 1 1 381.791 3.337 20 5 GGBDMO C[N@@H+](CCOc1ccc(F)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015101386 1399139485 /nfs/dbraw/zinc/13/94/85/1399139485.db2.gz IJGNHPPCVHDETF-UHFFFAOYSA-N 1 1 381.791 3.337 20 5 GGBDMO CC[N@@H+](c1ccc(Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])cc1)C(C)C ZINC000015210552 1399145933 /nfs/dbraw/zinc/14/59/33/1399145933.db2.gz KGZKEURPSJMEPP-UHFFFAOYSA-N 1 1 392.481 3.481 20 5 GGBDMO CC[N@H+](c1ccc(Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])cc1)C(C)C ZINC000015210552 1399145938 /nfs/dbraw/zinc/14/59/38/1399145938.db2.gz KGZKEURPSJMEPP-UHFFFAOYSA-N 1 1 392.481 3.481 20 5 GGBDMO O=C(CN1CC[NH+](Cc2cccs2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000019540050 1399332121 /nfs/dbraw/zinc/33/21/21/1399332121.db2.gz OFYQPZCRQYZEOQ-UHFFFAOYSA-N 1 1 394.884 3.066 20 5 GGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000022976572 1399520527 /nfs/dbraw/zinc/52/05/27/1399520527.db2.gz MUBLQZYWCWLTRC-RBSFLKMASA-N 1 1 395.525 3.079 20 5 GGBDMO Cc1cccc(C[NH+]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000023229958 1399542191 /nfs/dbraw/zinc/54/21/91/1399542191.db2.gz XTVQLELYCHUMFI-UHFFFAOYSA-N 1 1 393.447 3.271 20 5 GGBDMO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(Cc3ccccc3)CC2)c2ccncc21 ZINC000024153131 1399606721 /nfs/dbraw/zinc/60/67/21/1399606721.db2.gz SNBZGQXUTSCUFO-UHFFFAOYSA-N 1 1 391.475 3.373 20 5 GGBDMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000024743933 1399666042 /nfs/dbraw/zinc/66/60/42/1399666042.db2.gz FTVFFCDSAJDVIG-CQSZACIVSA-N 1 1 387.436 3.379 20 5 GGBDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000024743933 1399666043 /nfs/dbraw/zinc/66/60/43/1399666043.db2.gz FTVFFCDSAJDVIG-CQSZACIVSA-N 1 1 387.436 3.379 20 5 GGBDMO CNc1ccc(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025535306 1399817850 /nfs/dbraw/zinc/81/78/50/1399817850.db2.gz VYFXNMIRFBSJQA-NRFANRHFSA-N 1 1 396.491 3.449 20 5 GGBDMO CC(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000025917294 1399845975 /nfs/dbraw/zinc/84/59/75/1399845975.db2.gz NHYZLHUNCNIQLX-NRFANRHFSA-N 1 1 381.476 3.336 20 5 GGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000026225085 1399870905 /nfs/dbraw/zinc/87/09/05/1399870905.db2.gz QCEUAMJVFXXJRX-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000026225035 1399871178 /nfs/dbraw/zinc/87/11/78/1399871178.db2.gz JRTFBYKGVDLHGN-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO COC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000026321636 1399878022 /nfs/dbraw/zinc/87/80/22/1399878022.db2.gz PYUXJBUEVOUQNX-UHFFFAOYSA-N 1 1 385.420 3.150 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])c1 ZINC000026337141 1399879704 /nfs/dbraw/zinc/87/97/04/1399879704.db2.gz UROYWNFMJUXVOJ-UHFFFAOYSA-N 1 1 391.399 3.082 20 5 GGBDMO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712802 1399924670 /nfs/dbraw/zinc/92/46/70/1399924670.db2.gz HGGFPNXVXJSDCU-OAHLLOKOSA-N 1 1 382.363 3.068 20 5 GGBDMO C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000026730065 1399926408 /nfs/dbraw/zinc/92/64/08/1399926408.db2.gz BYFLXRYMQYLDOJ-HNNXBMFYSA-N 1 1 394.475 3.346 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)N2CC[NH+](Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000027217960 1400005457 /nfs/dbraw/zinc/00/54/57/1400005457.db2.gz VSRZSMUWRJWNRF-HNNXBMFYSA-N 1 1 388.493 3.110 20 5 GGBDMO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+]2CCCC2)c1 ZINC000027341011 1400021878 /nfs/dbraw/zinc/02/18/78/1400021878.db2.gz HFLIZOSAOFKLJJ-OAHLLOKOSA-N 1 1 375.450 3.232 20 5 GGBDMO COc1ccc(C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)cc1 ZINC000027366185 1400025597 /nfs/dbraw/zinc/02/55/97/1400025597.db2.gz QPMKJJKWFHQEDL-UHFFFAOYSA-N 1 1 381.432 3.157 20 5 GGBDMO COc1ccc(C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)cc1 ZINC000027366185 1400025608 /nfs/dbraw/zinc/02/56/08/1400025608.db2.gz QPMKJJKWFHQEDL-UHFFFAOYSA-N 1 1 381.432 3.157 20 5 GGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000055758878 1407076654 /nfs/dbraw/zinc/07/66/54/1407076654.db2.gz RMKWTPIYOLREFK-OWCLPIDISA-N 1 1 399.495 3.092 20 5 GGBDMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027558256 1400055621 /nfs/dbraw/zinc/05/56/21/1400055621.db2.gz GDATZHDSBBUUFK-NSHDSACASA-N 1 1 375.356 3.094 20 5 GGBDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027558256 1400055626 /nfs/dbraw/zinc/05/56/26/1400055626.db2.gz GDATZHDSBBUUFK-NSHDSACASA-N 1 1 375.356 3.094 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027569495 1400057883 /nfs/dbraw/zinc/05/78/83/1400057883.db2.gz RGDHBRYCFRRZTI-INIZCTEOSA-N 1 1 396.447 3.192 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027569495 1400057890 /nfs/dbraw/zinc/05/78/90/1400057890.db2.gz RGDHBRYCFRRZTI-INIZCTEOSA-N 1 1 396.447 3.192 20 5 GGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027569428 1400058129 /nfs/dbraw/zinc/05/81/29/1400058129.db2.gz HCNNGXMHAYQWDP-HZPDHXFCSA-N 1 1 396.447 3.273 20 5 GGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027569428 1400058141 /nfs/dbraw/zinc/05/81/41/1400058141.db2.gz HCNNGXMHAYQWDP-HZPDHXFCSA-N 1 1 396.447 3.273 20 5 GGBDMO CCOc1ccc(C[NH+]2CCN(Cc3cc([N+](=O)[O-])ccc3OC)CC2)cc1 ZINC000027567863 1400058366 /nfs/dbraw/zinc/05/83/66/1400058366.db2.gz BVRKTXHVSOUIRN-UHFFFAOYSA-N 1 1 385.464 3.320 20 5 GGBDMO CC(C)NC(=O)c1ccc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000028936832 1400214017 /nfs/dbraw/zinc/21/40/17/1400214017.db2.gz CRKZLQNFYYUZHR-HUUCEWRRSA-N 1 1 392.500 3.033 20 5 GGBDMO CN(C(=O)C[N@H+](C)CCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000029121040 1400244756 /nfs/dbraw/zinc/24/47/56/1400244756.db2.gz KWSXAVQFFNUBBK-UHFFFAOYSA-N 1 1 377.828 3.222 20 5 GGBDMO CN(C(=O)C[N@@H+](C)CCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000029121040 1400244760 /nfs/dbraw/zinc/24/47/60/1400244760.db2.gz KWSXAVQFFNUBBK-UHFFFAOYSA-N 1 1 377.828 3.222 20 5 GGBDMO COc1ccc(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000029173790 1400253946 /nfs/dbraw/zinc/25/39/46/1400253946.db2.gz MLEHTPSMSNTFGA-FQEVSTJZSA-N 1 1 397.475 3.416 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000029536828 1400311844 /nfs/dbraw/zinc/31/18/44/1400311844.db2.gz FRFZPTQWQJDJBO-IBGZPJMESA-N 1 1 385.420 3.006 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000029536828 1400311846 /nfs/dbraw/zinc/31/18/46/1400311846.db2.gz FRFZPTQWQJDJBO-IBGZPJMESA-N 1 1 385.420 3.006 20 5 GGBDMO O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029635126 1400326754 /nfs/dbraw/zinc/32/67/54/1400326754.db2.gz MIWSCCNFWAMWEH-UHFFFAOYSA-N 1 1 390.465 3.445 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055908851 1407129851 /nfs/dbraw/zinc/12/98/51/1407129851.db2.gz XYNPVBMCKWFJLT-INIZCTEOSA-N 1 1 387.411 3.388 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055908851 1407129854 /nfs/dbraw/zinc/12/98/54/1407129854.db2.gz XYNPVBMCKWFJLT-INIZCTEOSA-N 1 1 387.411 3.388 20 5 GGBDMO C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000056382870 1407316067 /nfs/dbraw/zinc/31/60/67/1407316067.db2.gz VLKFQUKAQOYHPE-CVEARBPZSA-N 1 1 382.464 3.402 20 5 GGBDMO C[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000056394261 1407319253 /nfs/dbraw/zinc/31/92/53/1407319253.db2.gz IXPMOYJUBFLYCX-ZIAGYGMSSA-N 1 1 388.493 3.463 20 5 GGBDMO C[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000056394261 1407319261 /nfs/dbraw/zinc/31/92/61/1407319261.db2.gz IXPMOYJUBFLYCX-ZIAGYGMSSA-N 1 1 388.493 3.463 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000043121823 1403712516 /nfs/dbraw/zinc/71/25/16/1403712516.db2.gz MIFZSGCTMMIVBE-AWEZNQCLSA-N 1 1 384.436 3.172 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000043149788 1403720506 /nfs/dbraw/zinc/72/05/06/1403720506.db2.gz YWJQZHDXPKYYLB-UHFFFAOYSA-N 1 1 376.457 3.060 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000043750172 1403811376 /nfs/dbraw/zinc/81/13/76/1403811376.db2.gz BGCXFDAAUFTZHG-UHFFFAOYSA-N 1 1 383.448 3.170 20 5 GGBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000043810087 1403821289 /nfs/dbraw/zinc/82/12/89/1403821289.db2.gz MOFWJYXOTUDKLK-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000043810087 1403821290 /nfs/dbraw/zinc/82/12/90/1403821290.db2.gz MOFWJYXOTUDKLK-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000044637856 1403970565 /nfs/dbraw/zinc/97/05/65/1403970565.db2.gz SXEPMQORFFPZQZ-HZPDHXFCSA-N 1 1 383.448 3.134 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000044638321 1403971956 /nfs/dbraw/zinc/97/19/56/1403971956.db2.gz ZKUVJECIGBWNDZ-IRXDYDNUSA-N 1 1 397.475 3.063 20 5 GGBDMO CC[NH+](CC)Cc1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000044653543 1403976070 /nfs/dbraw/zinc/97/60/70/1403976070.db2.gz SBQIJTKWISIXJU-UHFFFAOYSA-N 1 1 381.436 3.243 20 5 GGBDMO Cc1cc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000044711587 1403988563 /nfs/dbraw/zinc/98/85/63/1403988563.db2.gz DTWSCUOBQMVKKT-UHFFFAOYSA-N 1 1 381.358 3.347 20 5 GGBDMO CCOc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000045498859 1404132967 /nfs/dbraw/zinc/13/29/67/1404132967.db2.gz YMNUWGUYVZACBF-HNNXBMFYSA-N 1 1 383.448 3.170 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000045622370 1404164499 /nfs/dbraw/zinc/16/44/99/1404164499.db2.gz GIYCWNCPMLCAHV-UHFFFAOYSA-N 1 1 398.463 3.021 20 5 GGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000045795158 1404207052 /nfs/dbraw/zinc/20/70/52/1404207052.db2.gz RQQOEJCPICYUNL-UHFFFAOYSA-N 1 1 382.464 3.050 20 5 GGBDMO Cc1c(NC(=O)CC[NH+]2CCN(Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000045799619 1404207899 /nfs/dbraw/zinc/20/78/99/1404207899.db2.gz GEHJMTYUMAVRLO-UHFFFAOYSA-N 1 1 388.493 3.111 20 5 GGBDMO Cc1ccccc1CN1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000045799587 1404207976 /nfs/dbraw/zinc/20/79/76/1404207976.db2.gz IGIGOGGQXFUQJI-UHFFFAOYSA-N 1 1 396.491 3.358 20 5 GGBDMO Cc1cccc(CN2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000045799545 1404208051 /nfs/dbraw/zinc/20/80/51/1404208051.db2.gz VXTMIDKAOJNQDA-UHFFFAOYSA-N 1 1 382.464 3.050 20 5 GGBDMO O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000046188506 1404326557 /nfs/dbraw/zinc/32/65/57/1404326557.db2.gz SPQLJVWAHDWNTR-UHFFFAOYSA-N 1 1 390.465 3.445 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000046432944 1404411872 /nfs/dbraw/zinc/41/18/72/1404411872.db2.gz NDACBPNVZJCMCV-GJZGRUSLSA-N 1 1 399.447 3.465 20 5 GGBDMO C[C@@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056726785 1407409768 /nfs/dbraw/zinc/40/97/68/1407409768.db2.gz QSRDIQFOYVLVIO-OAHLLOKOSA-N 1 1 388.493 3.287 20 5 GGBDMO CC[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000046768699 1404583403 /nfs/dbraw/zinc/58/34/03/1404583403.db2.gz SSUCRSMVONTEHO-LJQANCHMSA-N 1 1 396.491 3.350 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000046989659 1404663574 /nfs/dbraw/zinc/66/35/74/1404663574.db2.gz AKESWGUYUDNLGK-OAHLLOKOSA-N 1 1 393.484 3.387 20 5 GGBDMO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000047009915 1404673922 /nfs/dbraw/zinc/67/39/22/1404673922.db2.gz XVEWCQUXBVELQB-AWEZNQCLSA-N 1 1 388.493 3.245 20 5 GGBDMO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000047009915 1404673938 /nfs/dbraw/zinc/67/39/38/1404673938.db2.gz XVEWCQUXBVELQB-AWEZNQCLSA-N 1 1 388.493 3.245 20 5 GGBDMO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000047119475 1404712782 /nfs/dbraw/zinc/71/27/82/1404712782.db2.gz HDOXYJVTSFWKGJ-MSOLQXFVSA-N 1 1 391.515 3.391 20 5 GGBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000047228300 1404757038 /nfs/dbraw/zinc/75/70/38/1404757038.db2.gz DTPKOZQFYOFZPI-UHFFFAOYSA-N 1 1 392.419 3.336 20 5 GGBDMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000047715397 1404900848 /nfs/dbraw/zinc/90/08/48/1404900848.db2.gz UBUAXWWRSLDFSL-UHFFFAOYSA-N 1 1 375.375 3.267 20 5 GGBDMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC000047715474 1404901274 /nfs/dbraw/zinc/90/12/74/1404901274.db2.gz DLAYDAZSFCUSFJ-UHFFFAOYSA-N 1 1 375.375 3.267 20 5 GGBDMO Cc1nnc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)o1 ZINC000048017675 1405026800 /nfs/dbraw/zinc/02/68/00/1405026800.db2.gz WRJGGQIBHRFYGK-UHFFFAOYSA-N 1 1 399.476 3.333 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+](C)C ZINC000048299491 1405133631 /nfs/dbraw/zinc/13/36/31/1405133631.db2.gz PQQJYQLTLMXELK-KRWDZBQOSA-N 1 1 382.420 3.117 20 5 GGBDMO Cc1c(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000048358446 1405160057 /nfs/dbraw/zinc/16/00/57/1405160057.db2.gz QYYXEDNCMYUPBX-HZPDHXFCSA-N 1 1 397.475 3.442 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000048359963 1405162632 /nfs/dbraw/zinc/16/26/32/1405162632.db2.gz BGRMTHAVUTUZRT-HOTGVXAUSA-N 1 1 383.448 3.134 20 5 GGBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000173475834 1426649057 /nfs/dbraw/zinc/64/90/57/1426649057.db2.gz PRWRNMKJSMBKBX-HXUWFJFHSA-N 1 1 382.464 3.461 20 5 GGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050613130 1405613362 /nfs/dbraw/zinc/61/33/62/1405613362.db2.gz RZGKPUDHARGECA-LBPRGKRZSA-N 1 1 385.449 3.289 20 5 GGBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000050823419 1405664343 /nfs/dbraw/zinc/66/43/43/1405664343.db2.gz CJLYALZXPAFOIH-UHFFFAOYSA-N 1 1 390.443 3.470 20 5 GGBDMO Cc1ccc(C(=O)NC2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)s1 ZINC000050924216 1405682450 /nfs/dbraw/zinc/68/24/50/1405682450.db2.gz LRMOUWAEFXIRFP-UHFFFAOYSA-N 1 1 399.476 3.166 20 5 GGBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132839 1405728191 /nfs/dbraw/zinc/72/81/91/1405728191.db2.gz TUKBBMCSVHFRJO-AZUAARDMSA-N 1 1 383.448 3.293 20 5 GGBDMO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1c(F)cccc1F ZINC000051348460 1405795117 /nfs/dbraw/zinc/79/51/17/1405795117.db2.gz WXUNIMATAAZVKY-UHFFFAOYSA-N 1 1 379.363 3.212 20 5 GGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1c(F)cccc1F ZINC000051348460 1405795124 /nfs/dbraw/zinc/79/51/24/1405795124.db2.gz WXUNIMATAAZVKY-UHFFFAOYSA-N 1 1 379.363 3.212 20 5 GGBDMO COc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000051475108 1405817395 /nfs/dbraw/zinc/81/73/95/1405817395.db2.gz LEDRFUHWHSVYTC-UHFFFAOYSA-N 1 1 387.411 3.137 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000052690525 1406123888 /nfs/dbraw/zinc/12/38/88/1406123888.db2.gz SDCDZYFOTMHSDV-OKILXGFUSA-N 1 1 389.477 3.196 20 5 GGBDMO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000052917627 1406228688 /nfs/dbraw/zinc/22/86/88/1406228688.db2.gz APEWTVGWBQAKMF-OAHLLOKOSA-N 1 1 385.420 3.085 20 5 GGBDMO CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000052917627 1406228694 /nfs/dbraw/zinc/22/86/94/1406228694.db2.gz APEWTVGWBQAKMF-OAHLLOKOSA-N 1 1 385.420 3.085 20 5 GGBDMO C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056761100 1407422841 /nfs/dbraw/zinc/42/28/41/1407422841.db2.gz NOQYGGUUEFIQJK-MRXNPFEDSA-N 1 1 398.463 3.352 20 5 GGBDMO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+]1CCc2sccc2C1 ZINC000056888014 1407465382 /nfs/dbraw/zinc/46/53/82/1407465382.db2.gz GILJCBOLJAFCBR-LBPRGKRZSA-N 1 1 384.461 3.314 20 5 GGBDMO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@H+]1CCc2sccc2C1 ZINC000056888014 1407465389 /nfs/dbraw/zinc/46/53/89/1407465389.db2.gz GILJCBOLJAFCBR-LBPRGKRZSA-N 1 1 384.461 3.314 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000057005562 1407498060 /nfs/dbraw/zinc/49/80/60/1407498060.db2.gz VSHPSRYLFOAWGL-UHFFFAOYSA-N 1 1 398.463 3.021 20 5 GGBDMO C[C@@H](Nc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057554834 1407647914 /nfs/dbraw/zinc/64/79/14/1407647914.db2.gz ZRJJOYQMYAAXKO-GDBMZVCRSA-N 1 1 395.463 3.129 20 5 GGBDMO C[C@H](Nc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000057554836 1407648243 /nfs/dbraw/zinc/64/82/43/1407648243.db2.gz ZRJJOYQMYAAXKO-HOCLYGCPSA-N 1 1 395.463 3.129 20 5 GGBDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000057642380 1407675237 /nfs/dbraw/zinc/67/52/37/1407675237.db2.gz JQLXOBCBUPUVOQ-KBPBESRZSA-N 1 1 389.477 3.196 20 5 GGBDMO C[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057702356 1407692341 /nfs/dbraw/zinc/69/23/41/1407692341.db2.gz WFYCZIZPABDCRM-HUUCEWRRSA-N 1 1 397.479 3.375 20 5 GGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000058764893 1407876945 /nfs/dbraw/zinc/87/69/45/1407876945.db2.gz MINAILPDIWNEAF-UHFFFAOYSA-N 1 1 380.370 3.373 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H]1COc2ccccc2O1 ZINC000060089799 1407936892 /nfs/dbraw/zinc/93/68/92/1407936892.db2.gz GJCFKOGIGYCDFM-KRWDZBQOSA-N 1 1 399.447 3.394 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H]1COc2ccccc2O1 ZINC000060089801 1407937133 /nfs/dbraw/zinc/93/71/33/1407937133.db2.gz JEXQRPVLNGUVIJ-MRXNPFEDSA-N 1 1 399.447 3.394 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H]1COc2ccccc2O1 ZINC000060089803 1407937165 /nfs/dbraw/zinc/93/71/65/1407937165.db2.gz JEXQRPVLNGUVIJ-INIZCTEOSA-N 1 1 399.447 3.394 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000062229468 1408222255 /nfs/dbraw/zinc/22/22/55/1408222255.db2.gz KRYPLIAHOLLOML-QGZVFWFLSA-N 1 1 383.448 3.245 20 5 GGBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062231596 1408222983 /nfs/dbraw/zinc/22/29/83/1408222983.db2.gz BEJBWWCTXYKSHT-SFHVURJKSA-N 1 1 383.448 3.002 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000176406235 1428305513 /nfs/dbraw/zinc/30/55/13/1428305513.db2.gz QKNGRASDKOUQFH-AWEZNQCLSA-N 1 1 375.391 3.310 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000176408814 1428307492 /nfs/dbraw/zinc/30/74/92/1428307492.db2.gz SDMHQUGXRNILIB-AWEZNQCLSA-N 1 1 375.391 3.180 20 5 GGBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063463856 1408358694 /nfs/dbraw/zinc/35/86/94/1408358694.db2.gz KFLUSLLHBRLSTJ-GOSISDBHSA-N 1 1 382.464 3.306 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000063482470 1408361616 /nfs/dbraw/zinc/36/16/16/1408361616.db2.gz XLLUJEYEPYYWFO-OAHLLOKOSA-N 1 1 385.420 3.004 20 5 GGBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000063518808 1408366164 /nfs/dbraw/zinc/36/61/64/1408366164.db2.gz QJSOMLGZXQHYGK-MRXNPFEDSA-N 1 1 395.481 3.112 20 5 GGBDMO Cc1c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063758934 1408402397 /nfs/dbraw/zinc/40/23/97/1408402397.db2.gz VAXHLDVHTVAFGN-OKILXGFUSA-N 1 1 392.456 3.299 20 5 GGBDMO COc1cc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(OC)c1 ZINC000064350493 1408538004 /nfs/dbraw/zinc/53/80/04/1408538004.db2.gz DKXUSYGVEATZPU-UHFFFAOYSA-N 1 1 387.436 3.461 20 5 GGBDMO COc1cc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(OC)c1 ZINC000064350493 1408538009 /nfs/dbraw/zinc/53/80/09/1408538009.db2.gz DKXUSYGVEATZPU-UHFFFAOYSA-N 1 1 387.436 3.461 20 5 GGBDMO CC(C)[N@H+](CC(=O)NCCc1c(F)cccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350741 1408538141 /nfs/dbraw/zinc/53/81/41/1408538141.db2.gz XJQWVYFLHISABH-UHFFFAOYSA-N 1 1 391.418 3.442 20 5 GGBDMO CC(C)[N@@H+](CC(=O)NCCc1c(F)cccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350741 1408538147 /nfs/dbraw/zinc/53/81/47/1408538147.db2.gz XJQWVYFLHISABH-UHFFFAOYSA-N 1 1 391.418 3.442 20 5 GGBDMO CC(C)[N@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350764 1408538215 /nfs/dbraw/zinc/53/82/15/1408538215.db2.gz DVUVGTSQRGZCKA-UHFFFAOYSA-N 1 1 377.391 3.400 20 5 GGBDMO CC(C)[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350764 1408538220 /nfs/dbraw/zinc/53/82/20/1408538220.db2.gz DVUVGTSQRGZCKA-UHFFFAOYSA-N 1 1 377.391 3.400 20 5 GGBDMO Cc1cccc(OCCNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350293 1408538377 /nfs/dbraw/zinc/53/83/77/1408538377.db2.gz YSHPVSWFDUHNKM-UHFFFAOYSA-N 1 1 385.464 3.309 20 5 GGBDMO Cc1cccc(OCCNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350293 1408538382 /nfs/dbraw/zinc/53/83/82/1408538382.db2.gz YSHPVSWFDUHNKM-UHFFFAOYSA-N 1 1 385.464 3.309 20 5 GGBDMO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350132 1408538599 /nfs/dbraw/zinc/53/85/99/1408538599.db2.gz UNAYGTLOMYLMJB-UHFFFAOYSA-N 1 1 386.408 3.376 20 5 GGBDMO CC(C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350132 1408538603 /nfs/dbraw/zinc/53/86/03/1408538603.db2.gz UNAYGTLOMYLMJB-UHFFFAOYSA-N 1 1 386.408 3.376 20 5 GGBDMO COc1ccc(OC)c(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350561 1408538726 /nfs/dbraw/zinc/53/87/26/1408538726.db2.gz OMMCBODYONIITI-UHFFFAOYSA-N 1 1 387.436 3.461 20 5 GGBDMO COc1ccc(OC)c(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350561 1408538733 /nfs/dbraw/zinc/53/87/33/1408538733.db2.gz OMMCBODYONIITI-UHFFFAOYSA-N 1 1 387.436 3.461 20 5 GGBDMO CC(C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350148 1408538778 /nfs/dbraw/zinc/53/87/78/1408538778.db2.gz ULQWJVHAOFPBEE-UHFFFAOYSA-N 1 1 398.419 3.303 20 5 GGBDMO CC(C)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350148 1408538781 /nfs/dbraw/zinc/53/87/81/1408538781.db2.gz ULQWJVHAOFPBEE-UHFFFAOYSA-N 1 1 398.419 3.303 20 5 GGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000064521111 1408573108 /nfs/dbraw/zinc/57/31/08/1408573108.db2.gz MFDPPRSMYXNFQN-CYBMUJFWSA-N 1 1 377.441 3.437 20 5 GGBDMO CNC(=O)c1ccc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000064550803 1408576199 /nfs/dbraw/zinc/57/61/99/1408576199.db2.gz QSKNKSDLXJOEAZ-CQSZACIVSA-N 1 1 388.493 3.340 20 5 GGBDMO O=c1[nH]cnc2cc(NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)c([N+](=O)[O-])cc12 ZINC000064550885 1408576610 /nfs/dbraw/zinc/57/66/10/1408576610.db2.gz MYWXMDRMUBXFIY-CYBMUJFWSA-N 1 1 399.476 3.217 20 5 GGBDMO CCC[NH+]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000064692031 1408596935 /nfs/dbraw/zinc/59/69/35/1408596935.db2.gz VPXRRIYKNSDYNI-INIZCTEOSA-N 1 1 397.479 3.331 20 5 GGBDMO CNC(=O)c1ccc(NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000064905824 1408627066 /nfs/dbraw/zinc/62/70/66/1408627066.db2.gz UBPFBVOIKBGXEW-OAQYLSRUSA-N 1 1 396.491 3.449 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1C ZINC000064965178 1408632805 /nfs/dbraw/zinc/63/28/05/1408632805.db2.gz IUZVLVRHYWXASX-ZDUSSCGKSA-N 1 1 383.514 3.000 20 5 GGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000064995460 1408634839 /nfs/dbraw/zinc/63/48/39/1408634839.db2.gz XJNFBKDSVVMCMQ-SJORKVTESA-N 1 1 377.485 3.381 20 5 GGBDMO C[N@@H+](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccccc1 ZINC000065450267 1408671214 /nfs/dbraw/zinc/67/12/14/1408671214.db2.gz MVTGBCJVYRADPL-UHFFFAOYSA-N 1 1 394.378 3.450 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000065598574 1408696491 /nfs/dbraw/zinc/69/64/91/1408696491.db2.gz TTYDZNCXXHEXCN-UHFFFAOYSA-N 1 1 384.436 3.390 20 5 GGBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000065785731 1408729333 /nfs/dbraw/zinc/72/93/33/1408729333.db2.gz VBCMCNFXXGQHTI-UHFFFAOYSA-N 1 1 382.424 3.188 20 5 GGBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000065869355 1408745527 /nfs/dbraw/zinc/74/55/27/1408745527.db2.gz SNEKAXPCFANHTR-UHFFFAOYSA-N 1 1 382.424 3.107 20 5 GGBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000065876479 1408746771 /nfs/dbraw/zinc/74/67/71/1408746771.db2.gz OSJWUYGUZZWFCU-UHFFFAOYSA-N 1 1 399.495 3.181 20 5 GGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065881046 1408747298 /nfs/dbraw/zinc/74/72/98/1408747298.db2.gz LQQXXLBNLHSNNS-GOSISDBHSA-N 1 1 385.439 3.305 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000065881233 1408747536 /nfs/dbraw/zinc/74/75/36/1408747536.db2.gz ZMBSYSVNNCTYQM-UHFFFAOYSA-N 1 1 393.447 3.162 20 5 GGBDMO O=C(C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000065951637 1408761399 /nfs/dbraw/zinc/76/13/99/1408761399.db2.gz PDOWUMYGJRHRQR-QGZVFWFLSA-N 1 1 395.415 3.414 20 5 GGBDMO CN(c1ccccc1)C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000065956469 1408761863 /nfs/dbraw/zinc/76/18/63/1408761863.db2.gz SFKYGTHZQJOTKQ-UHFFFAOYSA-N 1 1 394.475 3.085 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CCCCC2)c1C ZINC000065971428 1408765114 /nfs/dbraw/zinc/76/51/14/1408765114.db2.gz ZCWBAQDMEBTPIW-UHFFFAOYSA-N 1 1 383.514 3.097 20 5 GGBDMO Cc1cc(N2CCC[C@@H](OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)nc(C)[nH+]1 ZINC000066731465 1408895874 /nfs/dbraw/zinc/89/58/74/1408895874.db2.gz AINANDQCBCZOQV-CQSZACIVSA-N 1 1 390.827 3.481 20 5 GGBDMO CNC(=O)c1ccc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000066812928 1408919498 /nfs/dbraw/zinc/91/94/98/1408919498.db2.gz OVHHKXINGSUTBY-UHFFFAOYSA-N 1 1 396.491 3.303 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000067053759 1408993387 /nfs/dbraw/zinc/99/33/87/1408993387.db2.gz NYBAZIUIFBJOBC-IAGOWNOFSA-N 1 1 397.475 3.442 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176581064 1428370183 /nfs/dbraw/zinc/37/01/83/1428370183.db2.gz VBFOWXZMOOGGIH-WMZOPIPTSA-N 1 1 383.448 3.143 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000067234261 1409049740 /nfs/dbraw/zinc/04/97/40/1409049740.db2.gz RISSXSUXLQCXEO-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000067234261 1409049745 /nfs/dbraw/zinc/04/97/45/1409049745.db2.gz RISSXSUXLQCXEO-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO O=C1[C@@H]([N@@H+]2CC=C(c3ccc(O)cc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067376095 1409091137 /nfs/dbraw/zinc/09/11/37/1409091137.db2.gz VHYDEBNHAJTNOK-FQEVSTJZSA-N 1 1 379.416 3.195 20 5 GGBDMO O=C1[C@@H]([N@H+]2CC=C(c3ccc(O)cc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067376095 1409091144 /nfs/dbraw/zinc/09/11/44/1409091144.db2.gz VHYDEBNHAJTNOK-FQEVSTJZSA-N 1 1 379.416 3.195 20 5 GGBDMO O=C1[C@H]([NH+]2CCC(OCc3ccccc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067376104 1409091494 /nfs/dbraw/zinc/09/14/94/1409091494.db2.gz HXJQSRYZBUQQFW-OAQYLSRUSA-N 1 1 395.459 3.381 20 5 GGBDMO COc1ccc([C@H]2CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)cc1 ZINC000067379020 1409093391 /nfs/dbraw/zinc/09/33/91/1409093391.db2.gz KJJHHYVHWIVHOL-OXJNMPFZSA-N 1 1 381.432 3.198 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000067382987 1409095831 /nfs/dbraw/zinc/09/58/31/1409095831.db2.gz YZPVADSZYXPBES-OAHLLOKOSA-N 1 1 385.468 3.236 20 5 GGBDMO CC[NH+](CC)Cc1cccc(CN[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000067452420 1409122654 /nfs/dbraw/zinc/12/26/54/1409122654.db2.gz CEQJLAYEBIIZBJ-NRFANRHFSA-N 1 1 396.491 3.332 20 5 GGBDMO COC(=O)c1ccccc1N(C)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458487 1409124273 /nfs/dbraw/zinc/12/42/73/1409124273.db2.gz NNPISOJWVBRUCN-UHFFFAOYSA-N 1 1 399.447 3.255 20 5 GGBDMO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458487 1409124278 /nfs/dbraw/zinc/12/42/78/1409124278.db2.gz NNPISOJWVBRUCN-UHFFFAOYSA-N 1 1 399.447 3.255 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000067543625 1409154061 /nfs/dbraw/zinc/15/40/61/1409154061.db2.gz RXVRLHCHQLBBFX-HKUYNNGSSA-N 1 1 381.432 3.360 20 5 GGBDMO Cc1ccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000067556341 1409160234 /nfs/dbraw/zinc/16/02/34/1409160234.db2.gz XVUBIBMKXONEPP-INIZCTEOSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1ccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000067556341 1409160241 /nfs/dbraw/zinc/16/02/41/1409160241.db2.gz XVUBIBMKXONEPP-INIZCTEOSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000067556373 1409160267 /nfs/dbraw/zinc/16/02/67/1409160267.db2.gz WYLIZFFJICQDQS-INIZCTEOSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000067556373 1409160274 /nfs/dbraw/zinc/16/02/74/1409160274.db2.gz WYLIZFFJICQDQS-INIZCTEOSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1c(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000067558143 1409161540 /nfs/dbraw/zinc/16/15/40/1409161540.db2.gz VGTVRVLXKPOZOC-OAHLLOKOSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1c(NC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000067558143 1409161547 /nfs/dbraw/zinc/16/15/47/1409161547.db2.gz VGTVRVLXKPOZOC-OAHLLOKOSA-N 1 1 398.463 3.446 20 5 GGBDMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000067716794 1409213941 /nfs/dbraw/zinc/21/39/41/1409213941.db2.gz HFVJGHVDOKUOCZ-UHFFFAOYSA-N 1 1 397.884 3.178 20 5 GGBDMO Cc1cccc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000067809425 1409235438 /nfs/dbraw/zinc/23/54/38/1409235438.db2.gz PHFQQTUXEIEJHO-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1cccc(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000067809425 1409235443 /nfs/dbraw/zinc/23/54/43/1409235443.db2.gz PHFQQTUXEIEJHO-MRXNPFEDSA-N 1 1 383.448 3.054 20 5 GGBDMO COc1ccc(CC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067818776 1409237581 /nfs/dbraw/zinc/23/75/81/1409237581.db2.gz VRXRYDLZEUVGSA-YJBOKZPZSA-N 1 1 383.448 3.098 20 5 GGBDMO COc1ccc(CC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000067910063 1409253792 /nfs/dbraw/zinc/25/37/92/1409253792.db2.gz NFWSDBKDOXJUEO-UHFFFAOYSA-N 1 1 389.496 3.261 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000068084986 1409295767 /nfs/dbraw/zinc/29/57/67/1409295767.db2.gz WCJXJJWMLZIPSH-CYBMUJFWSA-N 1 1 378.429 3.196 20 5 GGBDMO Cc1nc(C[NH+]2CCC(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)cs1 ZINC000068391121 1409389087 /nfs/dbraw/zinc/38/90/87/1409389087.db2.gz HXPCRRZKYXNGES-UHFFFAOYSA-N 1 1 386.477 3.161 20 5 GGBDMO CC(C)[N@H+]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000068781360 1409491093 /nfs/dbraw/zinc/49/10/93/1409491093.db2.gz ATBVZKMESZSXCV-UHFFFAOYSA-N 1 1 377.488 3.097 20 5 GGBDMO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000068845674 1409507357 /nfs/dbraw/zinc/50/73/57/1409507357.db2.gz NCRWUNUVPREBKN-IBGZPJMESA-N 1 1 399.491 3.082 20 5 GGBDMO O=C(CCN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000068967074 1409535242 /nfs/dbraw/zinc/53/52/42/1409535242.db2.gz ZWTBDWBPNWHADA-UHFFFAOYSA-N 1 1 382.464 3.131 20 5 GGBDMO O=C(CC[N@@H+]1CCCN(Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000068967074 1409535247 /nfs/dbraw/zinc/53/52/47/1409535247.db2.gz ZWTBDWBPNWHADA-UHFFFAOYSA-N 1 1 382.464 3.131 20 5 GGBDMO O=C(CC[N@H+]1CCCN(Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000068967074 1409535253 /nfs/dbraw/zinc/53/52/53/1409535253.db2.gz ZWTBDWBPNWHADA-UHFFFAOYSA-N 1 1 382.464 3.131 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccco1 ZINC000069039946 1409550616 /nfs/dbraw/zinc/55/06/16/1409550616.db2.gz ZWMBEAWMFCEHIM-SFHVURJKSA-N 1 1 386.452 3.211 20 5 GGBDMO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069085219 1409560718 /nfs/dbraw/zinc/56/07/18/1409560718.db2.gz OWGDHVMXIJCNED-GOSISDBHSA-N 1 1 381.432 3.330 20 5 GGBDMO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069085219 1409560723 /nfs/dbraw/zinc/56/07/23/1409560723.db2.gz OWGDHVMXIJCNED-GOSISDBHSA-N 1 1 381.432 3.330 20 5 GGBDMO C[NH+]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000069131523 1409575057 /nfs/dbraw/zinc/57/50/57/1409575057.db2.gz DMLMXARRJYLYKV-UHFFFAOYSA-N 1 1 375.812 3.428 20 5 GGBDMO Cc1c(C(=O)NCCC[N@H+](C)C2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000069500058 1409644339 /nfs/dbraw/zinc/64/43/39/1409644339.db2.gz IQFLLWSPYPPJMR-UHFFFAOYSA-N 1 1 378.429 3.196 20 5 GGBDMO CC[NH+]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 ZINC000070714680 1409756373 /nfs/dbraw/zinc/75/63/73/1409756373.db2.gz OONZIZLEPCZXGO-UHFFFAOYSA-N 1 1 392.506 3.289 20 5 GGBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000070751673 1409766152 /nfs/dbraw/zinc/76/61/52/1409766152.db2.gz JLVRMNVLMSJKLX-INIZCTEOSA-N 1 1 392.799 3.189 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176720906 1428433350 /nfs/dbraw/zinc/43/33/50/1428433350.db2.gz LXEUSRWTJPEBPG-WMLDXEAASA-N 1 1 398.419 3.286 20 5 GGBDMO CCc1ccc([C@@H](CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000071906040 1409829632 /nfs/dbraw/zinc/82/96/32/1409829632.db2.gz LFYUCJIKLIOCCY-GOSISDBHSA-N 1 1 391.493 3.047 20 5 GGBDMO CCc1ccc([C@H](CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000071906041 1409829761 /nfs/dbraw/zinc/82/97/61/1409829761.db2.gz LFYUCJIKLIOCCY-SFHVURJKSA-N 1 1 391.493 3.047 20 5 GGBDMO COc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000072809264 1409853612 /nfs/dbraw/zinc/85/36/12/1409853612.db2.gz MJFJGMNTMFWYTJ-HOTGVXAUSA-N 1 1 375.469 3.330 20 5 GGBDMO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)CN1CC[NH+](C)CC1 ZINC000074137861 1409869281 /nfs/dbraw/zinc/86/92/81/1409869281.db2.gz VSMXVLPPOUNQER-QGZVFWFLSA-N 1 1 376.504 3.001 20 5 GGBDMO Cc1nc(C[NH+]2CCC(CNc3nc4ccccn4c3[N+](=O)[O-])CC2)oc1C ZINC000078882835 1409941026 /nfs/dbraw/zinc/94/10/26/1409941026.db2.gz YDYVEQXRGCQKBD-UHFFFAOYSA-N 1 1 384.440 3.171 20 5 GGBDMO COC(=O)c1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000091829159 1410084481 /nfs/dbraw/zinc/08/44/81/1410084481.db2.gz JUAQASJVPSKMLM-UHFFFAOYSA-N 1 1 394.431 3.414 20 5 GGBDMO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000092188417 1410117882 /nfs/dbraw/zinc/11/78/82/1410117882.db2.gz CJGMPAZZMAOBFC-MRXNPFEDSA-N 1 1 386.477 3.313 20 5 GGBDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092706622 1410191931 /nfs/dbraw/zinc/19/19/31/1410191931.db2.gz NBUBHPQWRZRSOH-CYBMUJFWSA-N 1 1 385.411 3.180 20 5 GGBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092706622 1410191934 /nfs/dbraw/zinc/19/19/34/1410191934.db2.gz NBUBHPQWRZRSOH-CYBMUJFWSA-N 1 1 385.411 3.180 20 5 GGBDMO O=C([C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCOCC1 ZINC000093014450 1410216543 /nfs/dbraw/zinc/21/65/43/1410216543.db2.gz LZKINRFVDUTKAE-LJQANCHMSA-N 1 1 399.447 3.068 20 5 GGBDMO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCOCC1 ZINC000093014450 1410216547 /nfs/dbraw/zinc/21/65/47/1410216547.db2.gz LZKINRFVDUTKAE-LJQANCHMSA-N 1 1 399.447 3.068 20 5 GGBDMO COc1ccc(-c2ccc(C[N@H+](CCO)Cc3cccnc3)o2)c([N+](=O)[O-])c1 ZINC000093086070 1410221065 /nfs/dbraw/zinc/22/10/65/1410221065.db2.gz GNBPVPJECKDHRK-UHFFFAOYSA-N 1 1 383.404 3.253 20 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Cn1cc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093710729 1410260631 /nfs/dbraw/zinc/26/06/31/1410260631.db2.gz KBZNHSLTFUHJLN-MUUNZHRXSA-N 1 1 398.488 3.365 20 5 GGBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000093899389 1410280096 /nfs/dbraw/zinc/28/00/96/1410280096.db2.gz FLZVZBATDJMJFI-ZDUSSCGKSA-N 1 1 375.400 3.340 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+](CCc3ccccc3)[C@@H]3CCOC3)n2)cc1 ZINC000176806237 1428472627 /nfs/dbraw/zinc/47/26/27/1428472627.db2.gz JPFQICDFPDMGFO-HXUWFJFHSA-N 1 1 393.447 3.144 20 5 GGBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000097253011 1410360658 /nfs/dbraw/zinc/36/06/58/1410360658.db2.gz ZUSBOCVGNKJBMD-GASCZTMLSA-N 1 1 377.485 3.121 20 5 GGBDMO Cc1csc(Sc2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2[N+](=O)[O-])n1 ZINC000097617270 1410384986 /nfs/dbraw/zinc/38/49/86/1410384986.db2.gz MZDBHSOBHNJPJB-UHFFFAOYSA-N 1 1 392.506 3.289 20 5 GGBDMO Cc1nn(C)c(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1[N+](=O)[O-] ZINC000098099155 1410414946 /nfs/dbraw/zinc/41/49/46/1410414946.db2.gz YCEIGCFPRXRYIS-UHFFFAOYSA-N 1 1 382.424 3.257 20 5 GGBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101920257 1410523887 /nfs/dbraw/zinc/52/38/87/1410523887.db2.gz BPVBRRCVBHKPBB-MRXNPFEDSA-N 1 1 388.399 3.009 20 5 GGBDMO COCCC[N@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000102779352 1410748554 /nfs/dbraw/zinc/74/85/54/1410748554.db2.gz JZFVRVQVTKSRTR-OAHLLOKOSA-N 1 1 398.463 3.386 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)nc(C)[nH+]1 ZINC000176879034 1428509969 /nfs/dbraw/zinc/50/99/69/1428509969.db2.gz OJQIXDGBVMUPOR-UHFFFAOYSA-N 1 1 384.440 3.101 20 5 GGBDMO CC(C)(NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000176886730 1428512636 /nfs/dbraw/zinc/51/26/36/1428512636.db2.gz VQBZBJNNCRUWIG-HXUWFJFHSA-N 1 1 397.475 3.237 20 5 GGBDMO CC(C)(NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000176886730 1428512641 /nfs/dbraw/zinc/51/26/41/1428512641.db2.gz VQBZBJNNCRUWIG-HXUWFJFHSA-N 1 1 397.475 3.237 20 5 GGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1C ZINC000103145496 1410832033 /nfs/dbraw/zinc/83/20/33/1410832033.db2.gz IZDQJKXRRHCURA-UHFFFAOYSA-N 1 1 387.436 3.381 20 5 GGBDMO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[NH2+]C1(c2ccccc2)CCC1 ZINC000103264510 1410842160 /nfs/dbraw/zinc/84/21/60/1410842160.db2.gz ZBDBJXUDGUPXDW-UHFFFAOYSA-N 1 1 376.416 3.445 20 5 GGBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104674330 1410924832 /nfs/dbraw/zinc/92/48/32/1410924832.db2.gz DSXIYIMVIPMRCP-OAHLLOKOSA-N 1 1 388.424 3.003 20 5 GGBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104680175 1410926704 /nfs/dbraw/zinc/92/67/04/1410926704.db2.gz HGSUXRNXBOYIDJ-MRXNPFEDSA-N 1 1 386.452 3.031 20 5 GGBDMO 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CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000107716386 1411401136 /nfs/dbraw/zinc/40/11/36/1411401136.db2.gz UZPDDYXFVYDNIM-UHFFFAOYSA-N 1 1 376.478 3.456 20 5 GGBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000108062475 1411435350 /nfs/dbraw/zinc/43/53/50/1411435350.db2.gz OJFZMOUNJQWQPY-AWEZNQCLSA-N 1 1 378.450 3.070 20 5 GGBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000108062475 1411435356 /nfs/dbraw/zinc/43/53/56/1411435356.db2.gz OJFZMOUNJQWQPY-AWEZNQCLSA-N 1 1 378.450 3.070 20 5 GGBDMO C[C@H]1CCC[N@H+](CCNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000108087111 1411437494 /nfs/dbraw/zinc/43/74/94/1411437494.db2.gz BWCJVHXWUXNCGL-NSHDSACASA-N 1 1 395.403 3.032 20 5 GGBDMO C[C@H]1CCC[N@@H+](CCNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000108087111 1411437497 /nfs/dbraw/zinc/43/74/97/1411437497.db2.gz BWCJVHXWUXNCGL-NSHDSACASA-N 1 1 395.403 3.032 20 5 GGBDMO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cc2[N+](=O)[O-])CC1 ZINC000108305382 1411469692 /nfs/dbraw/zinc/46/96/92/1411469692.db2.gz MLQPKEPOJIDJDC-GOSISDBHSA-N 1 1 386.496 3.045 20 5 GGBDMO CCCO[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000108394259 1411488326 /nfs/dbraw/zinc/48/83/26/1411488326.db2.gz RERYWFJYEJUCMS-INIZCTEOSA-N 1 1 379.457 3.213 20 5 GGBDMO CCCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000108394256 1411488828 /nfs/dbraw/zinc/48/88/28/1411488828.db2.gz RERYWFJYEJUCMS-MRXNPFEDSA-N 1 1 379.457 3.213 20 5 GGBDMO CC1CCN(C(=O)C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)CC1 ZINC000177077096 1428579585 /nfs/dbraw/zinc/57/95/85/1428579585.db2.gz PWYHHIVQEFDSFJ-UHFFFAOYSA-N 1 1 386.452 3.207 20 5 GGBDMO Cc1cc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000109049054 1411670867 /nfs/dbraw/zinc/67/08/67/1411670867.db2.gz KVNPOOVTEVYPSN-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1cc(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000109049054 1411670872 /nfs/dbraw/zinc/67/08/72/1411670872.db2.gz KVNPOOVTEVYPSN-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](c4nnc5ccccn54)C3)nc2c1 ZINC000177091935 1428585606 /nfs/dbraw/zinc/58/56/06/1428585606.db2.gz DDJVLZUEIXZKQK-ZDUSSCGKSA-N 1 1 378.392 3.158 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000109100714 1411682921 /nfs/dbraw/zinc/68/29/21/1411682921.db2.gz ODVPEFAJMYZOMD-MGPUTAFESA-N 1 1 399.447 3.394 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000109100714 1411682928 /nfs/dbraw/zinc/68/29/28/1411682928.db2.gz ODVPEFAJMYZOMD-MGPUTAFESA-N 1 1 399.447 3.394 20 5 GGBDMO COc1cc(C)c(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000109130308 1411690422 /nfs/dbraw/zinc/69/04/22/1411690422.db2.gz ATTMFBXMAFYLBO-GOSISDBHSA-N 1 1 399.447 3.158 20 5 GGBDMO COc1cc(C)c(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000109130308 1411690429 /nfs/dbraw/zinc/69/04/29/1411690429.db2.gz ATTMFBXMAFYLBO-GOSISDBHSA-N 1 1 399.447 3.158 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000109312936 1411738592 /nfs/dbraw/zinc/73/85/92/1411738592.db2.gz CCPCLFUHNATFHR-GOSISDBHSA-N 1 1 398.463 3.125 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000109312941 1411738615 /nfs/dbraw/zinc/73/86/15/1411738615.db2.gz CCPCLFUHNATFHR-SFHVURJKSA-N 1 1 398.463 3.125 20 5 GGBDMO CN(C(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000109764103 1411808189 /nfs/dbraw/zinc/80/81/89/1411808189.db2.gz LIUBWQXNHVRILQ-UHFFFAOYSA-N 1 1 393.447 3.314 20 5 GGBDMO Cc1c(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000109790876 1411810560 /nfs/dbraw/zinc/81/05/60/1411810560.db2.gz UEFNCWNELUKSCE-UHFFFAOYSA-N 1 1 380.448 3.143 20 5 GGBDMO Cc1c(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000109790876 1411810562 /nfs/dbraw/zinc/81/05/62/1411810562.db2.gz UEFNCWNELUKSCE-UHFFFAOYSA-N 1 1 380.448 3.143 20 5 GGBDMO COC(=O)c1ccc(N2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)[C@@H](C)C2)cc1 ZINC000109965515 1411821809 /nfs/dbraw/zinc/82/18/09/1411821809.db2.gz JGOKWRLZACEYNV-HNNXBMFYSA-N 1 1 383.448 3.401 20 5 GGBDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)[C@@H](C)C2)cc1 ZINC000109965515 1411821812 /nfs/dbraw/zinc/82/18/12/1411821812.db2.gz JGOKWRLZACEYNV-HNNXBMFYSA-N 1 1 383.448 3.401 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCc3ccccc3)[C@H]3CCOC3)n2)c1 ZINC000177137477 1428599438 /nfs/dbraw/zinc/59/94/38/1428599438.db2.gz VJRPIURIZFDFHO-IBGZPJMESA-N 1 1 394.431 3.478 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCc3ccccc3)[C@H]3CCOC3)n2)c1 ZINC000177137477 1428599446 /nfs/dbraw/zinc/59/94/46/1428599446.db2.gz VJRPIURIZFDFHO-IBGZPJMESA-N 1 1 394.431 3.478 20 5 GGBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000110199149 1411837055 /nfs/dbraw/zinc/83/70/55/1411837055.db2.gz OYSPJAXFIOOKJI-UHFFFAOYSA-N 1 1 381.476 3.304 20 5 GGBDMO CC(C)[C@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)[NH+](C)C ZINC000110611444 1411859942 /nfs/dbraw/zinc/85/99/42/1411859942.db2.gz BPBFXYUXUBVODD-GOSISDBHSA-N 1 1 385.420 3.339 20 5 GGBDMO CC(C)[C@@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)[NH+](C)C ZINC000110611441 1411860122 /nfs/dbraw/zinc/86/01/22/1411860122.db2.gz BPBFXYUXUBVODD-SFHVURJKSA-N 1 1 385.420 3.339 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCc3ccccc3)[C@@H]3CCOC3)n2)cc1 ZINC000177149855 1428601930 /nfs/dbraw/zinc/60/19/30/1428601930.db2.gz LNKWKNCNGOOSHV-LJQANCHMSA-N 1 1 394.431 3.478 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCc3ccccc3)[C@@H]3CCOC3)n2)cc1 ZINC000177149855 1428601936 /nfs/dbraw/zinc/60/19/36/1428601936.db2.gz LNKWKNCNGOOSHV-LJQANCHMSA-N 1 1 394.431 3.478 20 5 GGBDMO C[C@H](c1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000110720570 1411865488 /nfs/dbraw/zinc/86/54/88/1411865488.db2.gz GBRIPWFMTZZPIB-MRXNPFEDSA-N 1 1 399.447 3.396 20 5 GGBDMO C[C@@H](c1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000110720566 1411865660 /nfs/dbraw/zinc/86/56/60/1411865660.db2.gz GBRIPWFMTZZPIB-INIZCTEOSA-N 1 1 399.447 3.396 20 5 GGBDMO CC[N@H+]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000110815352 1411871770 /nfs/dbraw/zinc/87/17/70/1411871770.db2.gz HKPAWPVZGZQRCC-CALCHBBNSA-N 1 1 388.512 3.245 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000110880763 1411875355 /nfs/dbraw/zinc/87/53/55/1411875355.db2.gz JIDYCWDBTHWYTG-MRXNPFEDSA-N 1 1 384.436 3.118 20 5 GGBDMO CCc1nc(C[NH+]2CCC(CNC(=O)c3ccc([N+](=O)[O-])s3)CC2)cs1 ZINC000111043665 1411883783 /nfs/dbraw/zinc/88/37/83/1411883783.db2.gz OZXOBHHVHICSSW-UHFFFAOYSA-N 1 1 394.522 3.317 20 5 GGBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000111278646 1411899257 /nfs/dbraw/zinc/89/92/57/1411899257.db2.gz LHTAKWJLMULYNH-DFPKUZHUSA-N 1 1 386.448 3.185 20 5 GGBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000111278646 1411899258 /nfs/dbraw/zinc/89/92/58/1411899258.db2.gz LHTAKWJLMULYNH-DFPKUZHUSA-N 1 1 386.448 3.185 20 5 GGBDMO COc1ccc(-c2ccc(C[NH2+][C@H](C)C(=O)NCc3ccco3)o2)c([N+](=O)[O-])c1 ZINC000111399138 1411940250 /nfs/dbraw/zinc/94/02/50/1411940250.db2.gz QOVWIDYRLPEEAK-CYBMUJFWSA-N 1 1 399.403 3.251 20 5 GGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000111403759 1411942680 /nfs/dbraw/zinc/94/26/80/1411942680.db2.gz XHJLDQAHHDVQRL-UHFFFAOYSA-N 1 1 399.438 3.321 20 5 GGBDMO O=C(Nc1ccccc1)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000112006683 1412066946 /nfs/dbraw/zinc/06/69/46/1412066946.db2.gz BFYCWDCRDOJZTH-UHFFFAOYSA-N 1 1 379.420 3.253 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177177729 1428616663 /nfs/dbraw/zinc/61/66/63/1428616663.db2.gz GJJUVGXSOODECT-RDJZCZTQSA-N 1 1 386.496 3.186 20 5 GGBDMO CC(C)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1 ZINC000112656144 1412187813 /nfs/dbraw/zinc/18/78/13/1412187813.db2.gz SZRHOTKDNPLBMK-IBGZPJMESA-N 1 1 389.427 3.364 20 5 GGBDMO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000177210430 1428633749 /nfs/dbraw/zinc/63/37/49/1428633749.db2.gz LTECMLKPWVWSQO-UHFFFAOYSA-N 1 1 390.831 3.407 20 5 GGBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000177210430 1428633760 /nfs/dbraw/zinc/63/37/60/1428633760.db2.gz LTECMLKPWVWSQO-UHFFFAOYSA-N 1 1 390.831 3.407 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000112918545 1412240280 /nfs/dbraw/zinc/24/02/80/1412240280.db2.gz VVNHTKJINSPXKT-UHFFFAOYSA-N 1 1 399.495 3.365 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000112984268 1412250122 /nfs/dbraw/zinc/25/01/22/1412250122.db2.gz RPUZWBBEMACTQT-INIZCTEOSA-N 1 1 385.420 3.085 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000112984268 1412250128 /nfs/dbraw/zinc/25/01/28/1412250128.db2.gz RPUZWBBEMACTQT-INIZCTEOSA-N 1 1 385.420 3.085 20 5 GGBDMO O=C(NCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 ZINC000113323589 1412292727 /nfs/dbraw/zinc/29/27/27/1412292727.db2.gz RRZMHLPAWBNKHQ-UHFFFAOYSA-N 1 1 388.474 3.299 20 5 GGBDMO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000113350281 1412296125 /nfs/dbraw/zinc/29/61/25/1412296125.db2.gz GPCNSKNNQRBWOG-CYBMUJFWSA-N 1 1 396.440 3.439 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000113899669 1412347420 /nfs/dbraw/zinc/34/74/20/1412347420.db2.gz AVWKEWIMWUMHSG-IRXDYDNUSA-N 1 1 388.512 3.387 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000113901311 1412347684 /nfs/dbraw/zinc/34/76/84/1412347684.db2.gz WPHGZRBARYYATI-CABCVRRESA-N 1 1 390.440 3.230 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000113901115 1412347689 /nfs/dbraw/zinc/34/76/89/1412347689.db2.gz LHPAZSQKPPKSAX-IRXDYDNUSA-N 1 1 375.469 3.087 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113933953 1412354391 /nfs/dbraw/zinc/35/43/91/1412354391.db2.gz LLJNJOLSCIWFGD-ROUUACIJSA-N 1 1 388.512 3.428 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000113934720 1412354894 /nfs/dbraw/zinc/35/48/94/1412354894.db2.gz QGDSOFKVRGTEQL-QZTJIDSGSA-N 1 1 388.512 3.144 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+](CCc2cccc(F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000113940938 1412356761 /nfs/dbraw/zinc/35/67/61/1412356761.db2.gz XUTWHEILQLFMRP-UHFFFAOYSA-N 1 1 387.411 3.388 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+](CCc2cccc(F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000113940938 1412356763 /nfs/dbraw/zinc/35/67/63/1412356763.db2.gz XUTWHEILQLFMRP-UHFFFAOYSA-N 1 1 387.411 3.388 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113945136 1412357263 /nfs/dbraw/zinc/35/72/63/1412357263.db2.gz ICENINURMDFYAZ-IRXDYDNUSA-N 1 1 395.525 3.178 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000113945037 1412357468 /nfs/dbraw/zinc/35/74/68/1412357468.db2.gz VPACJRGINARQHY-GJZGRUSLSA-N 1 1 399.488 3.009 20 5 GGBDMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000113945111 1412357509 /nfs/dbraw/zinc/35/75/09/1412357509.db2.gz ZLGDSYUYGQRFTQ-DLBZAZTESA-N 1 1 395.525 3.178 20 5 GGBDMO COC(=O)[C@H](C)C[N@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000114063835 1412378990 /nfs/dbraw/zinc/37/89/90/1412378990.db2.gz BAACLAODPQSQIO-BEFAXECRSA-N 1 1 399.447 3.324 20 5 GGBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000114063835 1412378997 /nfs/dbraw/zinc/37/89/97/1412378997.db2.gz BAACLAODPQSQIO-BEFAXECRSA-N 1 1 399.447 3.324 20 5 GGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000114188451 1412389635 /nfs/dbraw/zinc/38/96/35/1412389635.db2.gz KYEAGJIAZJNMOJ-HNNXBMFYSA-N 1 1 384.354 3.485 20 5 GGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000114188451 1412389637 /nfs/dbraw/zinc/38/96/37/1412389637.db2.gz KYEAGJIAZJNMOJ-HNNXBMFYSA-N 1 1 384.354 3.485 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000114192044 1412391684 /nfs/dbraw/zinc/39/16/84/1412391684.db2.gz ONDPVGRYZUZYGQ-HXUWFJFHSA-N 1 1 383.448 3.214 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)[C@H]3CCc4ccccc43)n2)cc1 ZINC000114191828 1412392166 /nfs/dbraw/zinc/39/21/66/1412392166.db2.gz KCQRBPLULLXGBB-SFHVURJKSA-N 1 1 380.404 3.127 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCO)[C@H]3CCc4ccccc43)n2)cc1 ZINC000114191828 1412392169 /nfs/dbraw/zinc/39/21/69/1412392169.db2.gz KCQRBPLULLXGBB-SFHVURJKSA-N 1 1 380.404 3.127 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000114468411 1412440015 /nfs/dbraw/zinc/44/00/15/1412440015.db2.gz JFLFXEGZUJGKPS-GOSISDBHSA-N 1 1 383.448 3.214 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000114468411 1412440018 /nfs/dbraw/zinc/44/00/18/1412440018.db2.gz JFLFXEGZUJGKPS-GOSISDBHSA-N 1 1 383.448 3.214 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c2c(c1)COCO2 ZINC000114469498 1412441202 /nfs/dbraw/zinc/44/12/02/1412441202.db2.gz ATTAQINQXMVVND-HXUWFJFHSA-N 1 1 384.432 3.333 20 5 GGBDMO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000114643896 1412485077 /nfs/dbraw/zinc/48/50/77/1412485077.db2.gz KQBOVWYVVUVVLT-MRXNPFEDSA-N 1 1 398.419 3.206 20 5 GGBDMO COc1ccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000177255283 1428655526 /nfs/dbraw/zinc/65/55/26/1428655526.db2.gz VFMYQTJYGPYQIZ-UHFFFAOYSA-N 1 1 384.480 3.137 20 5 GGBDMO COc1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000177255283 1428655543 /nfs/dbraw/zinc/65/55/43/1428655543.db2.gz VFMYQTJYGPYQIZ-UHFFFAOYSA-N 1 1 384.480 3.137 20 5 GGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccn2)CC1 ZINC000177259212 1428657266 /nfs/dbraw/zinc/65/72/66/1428657266.db2.gz MOFWAANTFZCSJY-UHFFFAOYSA-N 1 1 398.507 3.398 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115271032 1412627294 /nfs/dbraw/zinc/62/72/94/1412627294.db2.gz OMMSDZCEEXIQPU-CZUORRHYSA-N 1 1 383.876 3.115 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115271010 1412627552 /nfs/dbraw/zinc/62/75/52/1412627552.db2.gz AYEAJAZNCCREHW-PBHICJAKSA-N 1 1 395.525 3.184 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000115271085 1412627983 /nfs/dbraw/zinc/62/79/83/1412627983.db2.gz KDUJUICTMNRYEX-CXAGYDPISA-N 1 1 383.876 3.115 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115274834 1412630541 /nfs/dbraw/zinc/63/05/41/1412630541.db2.gz GAPYSZJXOQJEHY-CZUORRHYSA-N 1 1 383.876 3.115 20 5 GGBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000115512600 1412698449 /nfs/dbraw/zinc/69/84/49/1412698449.db2.gz APSIRNXWKUKNKS-NVXWUHKLSA-N 1 1 394.431 3.199 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000115571061 1412715112 /nfs/dbraw/zinc/71/51/12/1412715112.db2.gz IKLMOGZFPYDIIC-IBGZPJMESA-N 1 1 396.447 3.051 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115571059 1412715185 /nfs/dbraw/zinc/71/51/85/1412715185.db2.gz IKLMOGZFPYDIIC-LJQANCHMSA-N 1 1 396.447 3.051 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000115745304 1412776777 /nfs/dbraw/zinc/77/67/77/1412776777.db2.gz SQYDISFUVSHYNY-WBVHZDCISA-N 1 1 378.473 3.162 20 5 GGBDMO C[N@@H+](CCCOc1ccccc1)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117335391 1413026448 /nfs/dbraw/zinc/02/64/48/1413026448.db2.gz CHWNIKRXYLVEJQ-UHFFFAOYSA-N 1 1 385.420 3.294 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCC[N@H+]1CCc2ccccc2C1 ZINC000117601636 1413055558 /nfs/dbraw/zinc/05/55/58/1413055558.db2.gz XOGRWHFUMYOZOB-UHFFFAOYSA-N 1 1 387.867 3.355 20 5 GGBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000117660875 1413062085 /nfs/dbraw/zinc/06/20/85/1413062085.db2.gz XRTTXXVEXMPGSK-CQSZACIVSA-N 1 1 375.856 3.427 20 5 GGBDMO CCC(CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000117754046 1413076285 /nfs/dbraw/zinc/07/62/85/1413076285.db2.gz UEQZGOASQZTVHX-SFHVURJKSA-N 1 1 397.903 3.044 20 5 GGBDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000118859512 1413248156 /nfs/dbraw/zinc/24/81/56/1413248156.db2.gz HUQUFMDIHYZSFU-OAHLLOKOSA-N 1 1 397.439 3.197 20 5 GGBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000118859512 1413248162 /nfs/dbraw/zinc/24/81/62/1413248162.db2.gz HUQUFMDIHYZSFU-OAHLLOKOSA-N 1 1 397.439 3.197 20 5 GGBDMO Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2cc1C ZINC000118866561 1413252757 /nfs/dbraw/zinc/25/27/57/1413252757.db2.gz UTMVWSOQPUQMEP-MRXNPFEDSA-N 1 1 394.431 3.399 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866867 1413253265 /nfs/dbraw/zinc/25/32/65/1413253265.db2.gz CJINUNPQNSJZBB-WFASDCNBSA-N 1 1 389.843 3.157 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866867 1413253274 /nfs/dbraw/zinc/25/32/74/1413253274.db2.gz CJINUNPQNSJZBB-WFASDCNBSA-N 1 1 389.843 3.157 20 5 GGBDMO CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118867155 1413253671 /nfs/dbraw/zinc/25/36/71/1413253671.db2.gz RHYHVMUZAZWXCO-YOEHRIQHSA-N 1 1 383.452 3.066 20 5 GGBDMO CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118867155 1413253684 /nfs/dbraw/zinc/25/36/84/1413253684.db2.gz RHYHVMUZAZWXCO-YOEHRIQHSA-N 1 1 383.452 3.066 20 5 GGBDMO CCc1ccc2c(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc(=O)oc2c1 ZINC000118865992 1413253992 /nfs/dbraw/zinc/25/39/92/1413253992.db2.gz IIHBSHNDSRPQDS-MRXNPFEDSA-N 1 1 394.431 3.345 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000177392110 1428715802 /nfs/dbraw/zinc/71/58/02/1428715802.db2.gz MECKCFNZPXHYQL-HNNXBMFYSA-N 1 1 398.463 3.273 20 5 GGBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000119057394 1413319422 /nfs/dbraw/zinc/31/94/22/1413319422.db2.gz WKWHUNXSSKOVLI-ROUUACIJSA-N 1 1 387.436 3.002 20 5 GGBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000119129218 1413348351 /nfs/dbraw/zinc/34/83/51/1413348351.db2.gz JBMITMANDOURHT-GOSISDBHSA-N 1 1 382.464 3.373 20 5 GGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000119347159 1413418950 /nfs/dbraw/zinc/41/89/50/1413418950.db2.gz IMHHUXNLSWYODA-PBHICJAKSA-N 1 1 386.477 3.275 20 5 GGBDMO COC(=O)c1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000119482775 1413462694 /nfs/dbraw/zinc/46/26/94/1413462694.db2.gz CAQDSOVIIFJQEX-UHFFFAOYSA-N 1 1 376.434 3.486 20 5 GGBDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000119541072 1413480261 /nfs/dbraw/zinc/48/02/61/1413480261.db2.gz WPEAIDWSLDBZIY-ZDUSSCGKSA-N 1 1 389.524 3.079 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000119657335 1413518623 /nfs/dbraw/zinc/51/86/23/1413518623.db2.gz WFLKUNMDTOCCLN-LIRRHRJNSA-N 1 1 387.867 3.427 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000119675832 1413526730 /nfs/dbraw/zinc/52/67/30/1413526730.db2.gz MFDPPRSMYXNFQN-ZDUSSCGKSA-N 1 1 377.441 3.437 20 5 GGBDMO COc1cc([C@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])ccc1OCCO ZINC000119681163 1413529300 /nfs/dbraw/zinc/52/93/00/1413529300.db2.gz LCIYEBJJIFZBPO-LBPRGKRZSA-N 1 1 380.828 3.479 20 5 GGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000119719225 1413543999 /nfs/dbraw/zinc/54/39/99/1413543999.db2.gz ZHQCPJPCKODTBF-AWEZNQCLSA-N 1 1 383.876 3.111 20 5 GGBDMO Cc1ccc(Sc2ccc(C[NH2+][C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000119890378 1413606506 /nfs/dbraw/zinc/60/65/06/1413606506.db2.gz YYMFNAWJNSNLIG-HNNXBMFYSA-N 1 1 392.502 3.331 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000119942963 1413625931 /nfs/dbraw/zinc/62/59/31/1413625931.db2.gz IOZFBICBUSMXJW-UHFFFAOYSA-N 1 1 378.473 3.034 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000119993740 1413645507 /nfs/dbraw/zinc/64/55/07/1413645507.db2.gz HVSACYRYNUORIH-UHFFFAOYSA-N 1 1 398.463 3.366 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000120037820 1413663391 /nfs/dbraw/zinc/66/33/91/1413663391.db2.gz NVNLAUCNGOUGIF-AWEZNQCLSA-N 1 1 393.484 3.242 20 5 GGBDMO CC[NH+](CC)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000120071154 1413675806 /nfs/dbraw/zinc/67/58/06/1413675806.db2.gz PUWQBUGVLAOPSF-CYBMUJFWSA-N 1 1 399.373 3.150 20 5 GGBDMO O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cs1 ZINC000120105549 1413689672 /nfs/dbraw/zinc/68/96/72/1413689672.db2.gz PTBBVPJOUGQLQL-UHFFFAOYSA-N 1 1 381.479 3.095 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000120119233 1413694927 /nfs/dbraw/zinc/69/49/27/1413694927.db2.gz LIYQRCFQMNHGBU-BRWVUGGUSA-N 1 1 390.484 3.317 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)nc(C)[nH+]1 ZINC000120169715 1413715648 /nfs/dbraw/zinc/71/56/48/1413715648.db2.gz GUNKDNXPCKKGLT-UHFFFAOYSA-N 1 1 398.467 3.409 20 5 GGBDMO O=C1CC[C@@H]2C[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]2N1C1CC1 ZINC000120192312 1413725629 /nfs/dbraw/zinc/72/56/29/1413725629.db2.gz NJDSVDGPBORHLR-BEFAXECRSA-N 1 1 396.447 3.225 20 5 GGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]2N1C1CC1 ZINC000120192312 1413725636 /nfs/dbraw/zinc/72/56/36/1413725636.db2.gz NJDSVDGPBORHLR-BEFAXECRSA-N 1 1 396.447 3.225 20 5 GGBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000120327345 1413787987 /nfs/dbraw/zinc/78/79/87/1413787987.db2.gz YRLWILQOQUIGGR-ICSRJNTNSA-N 1 1 381.432 3.117 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[N@@H+](CC4CCCCC4)CC3)n2)c1 ZINC000120518073 1413834790 /nfs/dbraw/zinc/83/47/90/1413834790.db2.gz FDDKZAABHZTRBX-UHFFFAOYSA-N 1 1 398.511 3.399 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1Cc1ccccc1 ZINC000177477394 1428759160 /nfs/dbraw/zinc/75/91/60/1428759160.db2.gz DGSYRSIRFHHDSC-CZUORRHYSA-N 1 1 386.427 3.099 20 5 GGBDMO C[N@H+]1CCC[C@@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000120534417 1413838209 /nfs/dbraw/zinc/83/82/09/1413838209.db2.gz BJOFESLUXXPZFX-CQSZACIVSA-N 1 1 386.418 3.220 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000177479010 1428759640 /nfs/dbraw/zinc/75/96/40/1428759640.db2.gz BYONJOYVAZFEIH-GOEBONIOSA-N 1 1 393.447 3.254 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1Cc1ccccc1 ZINC000177479010 1428759642 /nfs/dbraw/zinc/75/96/42/1428759642.db2.gz BYONJOYVAZFEIH-GOEBONIOSA-N 1 1 393.447 3.254 20 5 GGBDMO C[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000177479010 1428759644 /nfs/dbraw/zinc/75/96/44/1428759644.db2.gz BYONJOYVAZFEIH-GOEBONIOSA-N 1 1 393.447 3.254 20 5 GGBDMO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000120571777 1413845936 /nfs/dbraw/zinc/84/59/36/1413845936.db2.gz FQGRTILFUSNFFA-GOSISDBHSA-N 1 1 394.431 3.184 20 5 GGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000120603240 1413852398 /nfs/dbraw/zinc/85/23/98/1413852398.db2.gz PRWZLCQXPFKMNJ-IRXDYDNUSA-N 1 1 379.457 3.067 20 5 GGBDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 ZINC000120709023 1413880871 /nfs/dbraw/zinc/88/08/71/1413880871.db2.gz MDMOERMFJWJUOW-UHFFFAOYSA-N 1 1 390.443 3.409 20 5 GGBDMO CC1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000120734489 1413888224 /nfs/dbraw/zinc/88/82/24/1413888224.db2.gz WMGHLOLXYUEGFR-FUHWJXTLSA-N 1 1 388.512 3.243 20 5 GGBDMO COc1ccccc1COC[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000120765922 1413896811 /nfs/dbraw/zinc/89/68/11/1413896811.db2.gz BTQWBPVYWLGIQW-QGZVFWFLSA-N 1 1 394.855 3.266 20 5 GGBDMO COc1ccccc1COC[C@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000120765922 1413896814 /nfs/dbraw/zinc/89/68/14/1413896814.db2.gz BTQWBPVYWLGIQW-QGZVFWFLSA-N 1 1 394.855 3.266 20 5 GGBDMO O=C(C[NH+]1CCC(OCC2CCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177487836 1428764206 /nfs/dbraw/zinc/76/42/06/1428764206.db2.gz AICJVRNSRQPBBW-UHFFFAOYSA-N 1 1 387.480 3.155 20 5 GGBDMO O=C1[C@@H]([NH+]2CCC(OCC3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000177489736 1428765189 /nfs/dbraw/zinc/76/51/89/1428765189.db2.gz RFPXJUWSRFAADZ-FQEVSTJZSA-N 1 1 387.480 3.371 20 5 GGBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000120837392 1413920892 /nfs/dbraw/zinc/92/08/92/1413920892.db2.gz WWEJGBMFYRFVKK-CXAGYDPISA-N 1 1 375.450 3.447 20 5 GGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000120837392 1413920896 /nfs/dbraw/zinc/92/08/96/1413920896.db2.gz WWEJGBMFYRFVKK-CXAGYDPISA-N 1 1 375.450 3.447 20 5 GGBDMO Cc1ccnc(N2CC[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000120885336 1413937622 /nfs/dbraw/zinc/93/76/22/1413937622.db2.gz RJGKGIIANHYDIE-UHFFFAOYSA-N 1 1 392.463 3.021 20 5 GGBDMO C[C@@H]1C[N@H+](CCC2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000177495073 1428768621 /nfs/dbraw/zinc/76/86/21/1428768621.db2.gz RUVNKFUHUMDIIC-IYBDPMFKSA-N 1 1 379.476 3.445 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000120996256 1413971410 /nfs/dbraw/zinc/97/14/10/1413971410.db2.gz YFSBWVOFGJDQTC-GOSISDBHSA-N 1 1 396.491 3.154 20 5 GGBDMO Cc1nn(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121074514 1413997532 /nfs/dbraw/zinc/99/75/32/1413997532.db2.gz NNMDUSVQFLVZQO-UHFFFAOYSA-N 1 1 393.447 3.105 20 5 GGBDMO CC(C)[C@@H](CO)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000121101592 1414008405 /nfs/dbraw/zinc/00/84/05/1414008405.db2.gz UAIKPTJGPZMXEV-OAQYLSRUSA-N 1 1 397.475 3.003 20 5 GGBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121119870 1414014186 /nfs/dbraw/zinc/01/41/86/1414014186.db2.gz SCELCBHKJOBAGF-HOCLYGCPSA-N 1 1 387.484 3.227 20 5 GGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121141593 1414022181 /nfs/dbraw/zinc/02/21/81/1414022181.db2.gz WEKLAIOVGFCWDT-HOCLYGCPSA-N 1 1 387.484 3.227 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1SC ZINC000177515103 1428777885 /nfs/dbraw/zinc/77/78/85/1428777885.db2.gz OHICXQHIJOMCHV-UHFFFAOYSA-N 1 1 393.509 3.416 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000121327567 1414084327 /nfs/dbraw/zinc/08/43/27/1414084327.db2.gz OTRQYMMFUMGISX-HNNXBMFYSA-N 1 1 387.411 3.246 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000121327567 1414084336 /nfs/dbraw/zinc/08/43/36/1414084336.db2.gz OTRQYMMFUMGISX-HNNXBMFYSA-N 1 1 387.411 3.246 20 5 GGBDMO O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121431713 1414120450 /nfs/dbraw/zinc/12/04/50/1414120450.db2.gz ZCRCLEVQLCKQHM-FQEVSTJZSA-N 1 1 383.423 3.283 20 5 GGBDMO O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121431713 1414120458 /nfs/dbraw/zinc/12/04/58/1414120458.db2.gz ZCRCLEVQLCKQHM-FQEVSTJZSA-N 1 1 383.423 3.283 20 5 GGBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000121567033 1414180804 /nfs/dbraw/zinc/18/08/04/1414180804.db2.gz SESTYOPONAYGFE-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCc2sccc2C1 ZINC000121567033 1414180813 /nfs/dbraw/zinc/18/08/13/1414180813.db2.gz SESTYOPONAYGFE-LLVKDONJSA-N 1 1 379.869 3.486 20 5 GGBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177549674 1428789302 /nfs/dbraw/zinc/78/93/02/1428789302.db2.gz GRWZPUOPPLIGOY-UKRRQHHQSA-N 1 1 383.404 3.140 20 5 GGBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177549674 1428789307 /nfs/dbraw/zinc/78/93/07/1428789307.db2.gz GRWZPUOPPLIGOY-UKRRQHHQSA-N 1 1 383.404 3.140 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121664802 1414216708 /nfs/dbraw/zinc/21/67/08/1414216708.db2.gz ZRQIYSGHNYNHIO-NRFANRHFSA-N 1 1 383.448 3.479 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121664802 1414216714 /nfs/dbraw/zinc/21/67/14/1414216714.db2.gz ZRQIYSGHNYNHIO-NRFANRHFSA-N 1 1 383.448 3.479 20 5 GGBDMO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000121854209 1414279003 /nfs/dbraw/zinc/27/90/03/1414279003.db2.gz JARNHHOJPKQMRK-RTBURBONSA-N 1 1 375.856 3.410 20 5 GGBDMO O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000121875532 1414287163 /nfs/dbraw/zinc/28/71/63/1414287163.db2.gz FBXPRABGBVPGKR-QAPCUYQASA-N 1 1 387.436 3.495 20 5 GGBDMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000121875532 1414287167 /nfs/dbraw/zinc/28/71/67/1414287167.db2.gz FBXPRABGBVPGKR-QAPCUYQASA-N 1 1 387.436 3.495 20 5 GGBDMO NC(=O)c1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000121917617 1414306390 /nfs/dbraw/zinc/30/63/90/1414306390.db2.gz MTOJBWZSUUYTPP-AEFFLSMTSA-N 1 1 387.436 3.155 20 5 GGBDMO NC(=O)c1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000121917449 1414306798 /nfs/dbraw/zinc/30/67/98/1414306798.db2.gz MTOJBWZSUUYTPP-SJLPKXTDSA-N 1 1 387.436 3.155 20 5 GGBDMO NC(=O)c1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000121917317 1414306952 /nfs/dbraw/zinc/30/69/52/1414306952.db2.gz MTOJBWZSUUYTPP-WMZOPIPTSA-N 1 1 387.436 3.155 20 5 GGBDMO COCC[N@H+](C)CCCC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000122224235 1414394049 /nfs/dbraw/zinc/39/40/49/1414394049.db2.gz GOIVZYAETRNJRJ-UHFFFAOYSA-N 1 1 390.484 3.306 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000122224235 1414394056 /nfs/dbraw/zinc/39/40/56/1414394056.db2.gz GOIVZYAETRNJRJ-UHFFFAOYSA-N 1 1 390.484 3.306 20 5 GGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])c1 ZINC000122337460 1414427770 /nfs/dbraw/zinc/42/77/70/1414427770.db2.gz MHGJMUXGYFHLBP-OAHLLOKOSA-N 1 1 389.456 3.034 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000123185302 1414663072 /nfs/dbraw/zinc/66/30/72/1414663072.db2.gz ISTMSCNPTKLDFM-KBPBESRZSA-N 1 1 376.457 3.378 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000123354964 1414704803 /nfs/dbraw/zinc/70/48/03/1414704803.db2.gz CMEILGZUENZKCM-IBGZPJMESA-N 1 1 396.447 3.046 20 5 GGBDMO O=C(C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123635151 1414801388 /nfs/dbraw/zinc/80/13/88/1414801388.db2.gz UPNIVVNRLCMPRJ-KGLIPLIRSA-N 1 1 399.900 3.173 20 5 GGBDMO O=C(C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123635151 1414801389 /nfs/dbraw/zinc/80/13/89/1414801389.db2.gz UPNIVVNRLCMPRJ-KGLIPLIRSA-N 1 1 399.900 3.173 20 5 GGBDMO O=C(C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123709729 1414813689 /nfs/dbraw/zinc/81/36/89/1414813689.db2.gz JZOIPHXIAWRAKZ-ZIAGYGMSSA-N 1 1 399.900 3.173 20 5 GGBDMO O=C(C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123709729 1414813690 /nfs/dbraw/zinc/81/36/90/1414813690.db2.gz JZOIPHXIAWRAKZ-ZIAGYGMSSA-N 1 1 399.900 3.173 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000123744028 1414818771 /nfs/dbraw/zinc/81/87/71/1414818771.db2.gz UIXPFEVKHZPIPK-LJQANCHMSA-N 1 1 382.464 3.425 20 5 GGBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000123746515 1414819379 /nfs/dbraw/zinc/81/93/79/1414819379.db2.gz GSOYMMKYRJNXTG-UHFFFAOYSA-N 1 1 399.488 3.011 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000124178569 1414900934 /nfs/dbraw/zinc/90/09/34/1414900934.db2.gz JDOMDXAGRSIYKR-KRWDZBQOSA-N 1 1 383.448 3.497 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124220270 1414912108 /nfs/dbraw/zinc/91/21/08/1414912108.db2.gz KRICFXZYTBYHFI-QGZVFWFLSA-N 1 1 383.448 3.497 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000124353186 1414947332 /nfs/dbraw/zinc/94/73/32/1414947332.db2.gz ZIOILRQRPGEHJL-QGZVFWFLSA-N 1 1 388.512 3.293 20 5 GGBDMO Cc1sc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000124464340 1414974420 /nfs/dbraw/zinc/97/44/20/1414974420.db2.gz UONHOLKBHPVUNE-UHFFFAOYSA-N 1 1 395.506 3.256 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000124541962 1414990603 /nfs/dbraw/zinc/99/06/03/1414990603.db2.gz SIBDAJZLEIOHCX-HXUWFJFHSA-N 1 1 382.464 3.221 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000124541962 1414990609 /nfs/dbraw/zinc/99/06/09/1414990609.db2.gz SIBDAJZLEIOHCX-HXUWFJFHSA-N 1 1 382.464 3.221 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000124541962 1414990615 /nfs/dbraw/zinc/99/06/15/1414990615.db2.gz SIBDAJZLEIOHCX-HXUWFJFHSA-N 1 1 382.464 3.221 20 5 GGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000177795342 1428860140 /nfs/dbraw/zinc/86/01/40/1428860140.db2.gz LIDAJMRYCSJKAG-MSOLQXFVSA-N 1 1 389.499 3.240 20 5 GGBDMO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124786539 1415043934 /nfs/dbraw/zinc/04/39/34/1415043934.db2.gz PRUPNLMUFLJKIT-UXHICEINSA-N 1 1 388.512 3.004 20 5 GGBDMO CCC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000177826963 1428866205 /nfs/dbraw/zinc/86/62/05/1428866205.db2.gz WVPKCCWSICSQIN-HXUWFJFHSA-N 1 1 383.496 3.373 20 5 GGBDMO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000125190504 1415126952 /nfs/dbraw/zinc/12/69/52/1415126952.db2.gz FQJPFINQEMXXEG-AWEZNQCLSA-N 1 1 385.420 3.149 20 5 GGBDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000125190504 1415126957 /nfs/dbraw/zinc/12/69/57/1415126957.db2.gz FQJPFINQEMXXEG-AWEZNQCLSA-N 1 1 385.420 3.149 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000125209347 1415130762 /nfs/dbraw/zinc/13/07/62/1415130762.db2.gz HQZYUQSCLKFOMQ-UHFFFAOYSA-N 1 1 378.473 3.197 20 5 GGBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000177876006 1428880354 /nfs/dbraw/zinc/88/03/54/1428880354.db2.gz VEMBYQHUYLSWCD-DYESRHJHSA-N 1 1 396.491 3.069 20 5 GGBDMO CC(=O)Nc1cccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000125764853 1415274360 /nfs/dbraw/zinc/27/43/60/1415274360.db2.gz NWTQXXFQHAULDE-UHFFFAOYSA-N 1 1 384.436 3.402 20 5 GGBDMO CC(=O)Nc1cccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000125764853 1415274365 /nfs/dbraw/zinc/27/43/65/1415274365.db2.gz NWTQXXFQHAULDE-UHFFFAOYSA-N 1 1 384.436 3.402 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125770345 1415276089 /nfs/dbraw/zinc/27/60/89/1415276089.db2.gz ZSPWCYXSWWDDIM-HNNXBMFYSA-N 1 1 395.525 3.184 20 5 GGBDMO COc1ccc(CCC[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000125869435 1415301275 /nfs/dbraw/zinc/30/12/75/1415301275.db2.gz FQFYURYVSRRMJH-UHFFFAOYSA-N 1 1 383.448 3.057 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000126230068 1415389134 /nfs/dbraw/zinc/38/91/34/1415389134.db2.gz RARWSAKWIJRTCD-FQEVSTJZSA-N 1 1 399.447 3.314 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000126230068 1415389142 /nfs/dbraw/zinc/38/91/42/1415389142.db2.gz RARWSAKWIJRTCD-FQEVSTJZSA-N 1 1 399.447 3.314 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126419326 1415447665 /nfs/dbraw/zinc/44/76/65/1415447665.db2.gz GNOCXHQERGYFOY-HXUWFJFHSA-N 1 1 399.447 3.314 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126419326 1415447669 /nfs/dbraw/zinc/44/76/69/1415447669.db2.gz GNOCXHQERGYFOY-HXUWFJFHSA-N 1 1 399.447 3.314 20 5 GGBDMO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126480469 1415465985 /nfs/dbraw/zinc/46/59/85/1415465985.db2.gz JCEXCKPYOWVYHJ-OXJNMPFZSA-N 1 1 398.507 3.284 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000126640666 1415514759 /nfs/dbraw/zinc/51/47/59/1415514759.db2.gz WUWHKJOKMWLBQQ-UHFFFAOYSA-N 1 1 392.459 3.353 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](CCc2ccccc2)CC1 ZINC000126670756 1415522497 /nfs/dbraw/zinc/52/24/97/1415522497.db2.gz OMRPFFZIEGSCLU-UHFFFAOYSA-N 1 1 392.459 3.006 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126674149 1415523247 /nfs/dbraw/zinc/52/32/47/1415523247.db2.gz IWDIHHIUMSSCFX-RDTXWAMCSA-N 1 1 377.872 3.266 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@H+]1Cc1ccccc1 ZINC000127056317 1415649487 /nfs/dbraw/zinc/64/94/87/1415649487.db2.gz DEEODHARPYWTLG-QAPCUYQASA-N 1 1 392.459 3.398 20 5 GGBDMO Cc1c(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000127108077 1415661958 /nfs/dbraw/zinc/66/19/58/1415661958.db2.gz KPESTLLLSBQSLL-UHFFFAOYSA-N 1 1 392.456 3.456 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)c2)CCO1 ZINC000127285508 1415719812 /nfs/dbraw/zinc/71/98/12/1415719812.db2.gz BRGNOIWOVSJXJN-QGZVFWFLSA-N 1 1 397.475 3.065 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CCc3cccc([N+](=O)[O-])c3)c2)CCO1 ZINC000127285508 1415719819 /nfs/dbraw/zinc/71/98/19/1415719819.db2.gz BRGNOIWOVSJXJN-QGZVFWFLSA-N 1 1 397.475 3.065 20 5 GGBDMO CC(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000127495779 1415801100 /nfs/dbraw/zinc/80/11/00/1415801100.db2.gz LYDIEFOMYRSRJZ-UHFFFAOYSA-N 1 1 382.464 3.373 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000127571764 1415811976 /nfs/dbraw/zinc/81/19/76/1415811976.db2.gz SWVZJTDDXQBESM-MAUKXSAKSA-N 1 1 398.463 3.066 20 5 GGBDMO CCC(CC)[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[NH+]1CCOCC1 ZINC000127709692 1415837302 /nfs/dbraw/zinc/83/73/02/1415837302.db2.gz NGSJFOMJCCIUNC-SFHVURJKSA-N 1 1 392.500 3.470 20 5 GGBDMO CC(C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(=O)NCC1CCCCC1 ZINC000178173103 1429006598 /nfs/dbraw/zinc/00/65/98/1429006598.db2.gz BJIKJEZUILJCOO-UHFFFAOYSA-N 1 1 391.468 3.026 20 5 GGBDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000178237753 1429027544 /nfs/dbraw/zinc/02/75/44/1429027544.db2.gz OSJQWVCTQAVZNC-OKILXGFUSA-N 1 1 381.498 3.008 20 5 GGBDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000178261341 1429036875 /nfs/dbraw/zinc/03/68/75/1429036875.db2.gz IJKZCHCLHHOEGL-GASCZTMLSA-N 1 1 393.459 3.085 20 5 GGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000128928351 1416104466 /nfs/dbraw/zinc/10/44/66/1416104466.db2.gz XTKVWFKVWFCAFK-IAGOWNOFSA-N 1 1 379.432 3.342 20 5 GGBDMO CC[C@@H](O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000129285220 1416185205 /nfs/dbraw/zinc/18/52/05/1416185205.db2.gz PIXGFKDTBYNIDA-QGZVFWFLSA-N 1 1 389.427 3.336 20 5 GGBDMO O=c1cc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c2c(ccc3ccccc32)o1 ZINC000129509340 1416220762 /nfs/dbraw/zinc/22/07/62/1416220762.db2.gz YFXCSQKTDLBDKG-QGZVFWFLSA-N 1 1 378.472 3.100 20 5 GGBDMO CC(C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)OC(C)(C)C ZINC000129605598 1416235809 /nfs/dbraw/zinc/23/58/09/1416235809.db2.gz UAXOYPOPLMTQLG-UHFFFAOYSA-N 1 1 383.420 3.115 20 5 GGBDMO CC(C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)OC(C)(C)C ZINC000129605598 1416235812 /nfs/dbraw/zinc/23/58/12/1416235812.db2.gz UAXOYPOPLMTQLG-UHFFFAOYSA-N 1 1 383.420 3.115 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NCCCCn2cc[nH+]c2C)cc1SC ZINC000129711952 1416252361 /nfs/dbraw/zinc/25/23/61/1416252361.db2.gz OOCJHZVKRWVLCW-UHFFFAOYSA-N 1 1 378.454 3.040 20 5 GGBDMO COc1ccccc1[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000129857860 1416275677 /nfs/dbraw/zinc/27/56/77/1416275677.db2.gz GZQNSIWZZJFADL-SFHVURJKSA-N 1 1 382.420 3.117 20 5 GGBDMO CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129938229 1416288208 /nfs/dbraw/zinc/28/82/08/1416288208.db2.gz CISKFZXBJDUPHG-QGZVFWFLSA-N 1 1 377.466 3.086 20 5 GGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130040269 1416306955 /nfs/dbraw/zinc/30/69/55/1416306955.db2.gz HYQQDTRFEHHWMT-UHFFFAOYSA-N 1 1 385.449 3.433 20 5 GGBDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130099804 1416318018 /nfs/dbraw/zinc/31/80/18/1416318018.db2.gz GXPQSWCFLAQQNU-HNNXBMFYSA-N 1 1 376.434 3.335 20 5 GGBDMO CCCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000130743244 1416440161 /nfs/dbraw/zinc/44/01/61/1416440161.db2.gz MLIXRJARWCRGTE-WBVHZDCISA-N 1 1 399.495 3.396 20 5 GGBDMO CCCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000130743244 1416440166 /nfs/dbraw/zinc/44/01/66/1416440166.db2.gz MLIXRJARWCRGTE-WBVHZDCISA-N 1 1 399.495 3.396 20 5 GGBDMO CCCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000130743244 1416440174 /nfs/dbraw/zinc/44/01/74/1416440174.db2.gz MLIXRJARWCRGTE-WBVHZDCISA-N 1 1 399.495 3.396 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130754752 1416443257 /nfs/dbraw/zinc/44/32/57/1416443257.db2.gz ZNYWVIPORPFPCP-GFCCVEGCSA-N 1 1 380.832 3.069 20 5 GGBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccc(C(N)=O)cc4[N+](=O)[O-])C3)nc2c1 ZINC000130781489 1416449230 /nfs/dbraw/zinc/44/92/30/1416449230.db2.gz VIMRAPFQMSWSKE-MRXNPFEDSA-N 1 1 393.447 3.258 20 5 GGBDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4ccc(C(N)=O)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000130781489 1416449236 /nfs/dbraw/zinc/44/92/36/1416449236.db2.gz VIMRAPFQMSWSKE-MRXNPFEDSA-N 1 1 393.447 3.258 20 5 GGBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccc(C(N)=O)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000130781489 1416449246 /nfs/dbraw/zinc/44/92/46/1416449246.db2.gz VIMRAPFQMSWSKE-MRXNPFEDSA-N 1 1 393.447 3.258 20 5 GGBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc(C(N)=O)cc4[N+](=O)[O-])C3)nc2c1 ZINC000130781686 1416449440 /nfs/dbraw/zinc/44/94/40/1416449440.db2.gz VIMRAPFQMSWSKE-INIZCTEOSA-N 1 1 393.447 3.258 20 5 GGBDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4ccc(C(N)=O)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000130781686 1416449446 /nfs/dbraw/zinc/44/94/46/1416449446.db2.gz VIMRAPFQMSWSKE-INIZCTEOSA-N 1 1 393.447 3.258 20 5 GGBDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4ccc(C(N)=O)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000130781686 1416449455 /nfs/dbraw/zinc/44/94/55/1416449455.db2.gz VIMRAPFQMSWSKE-INIZCTEOSA-N 1 1 393.447 3.258 20 5 GGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000130842233 1416464867 /nfs/dbraw/zinc/46/48/67/1416464867.db2.gz UFOZGHPZQMZSQO-QAPCUYQASA-N 1 1 382.464 3.302 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000131026146 1416497728 /nfs/dbraw/zinc/49/77/28/1416497728.db2.gz CKAZQUVVWWPFDG-UHFFFAOYSA-N 1 1 381.354 3.440 20 5 GGBDMO O=C([C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCOCC1 ZINC000131033467 1416498483 /nfs/dbraw/zinc/49/84/83/1416498483.db2.gz NWPANHYIGISUKC-LJQANCHMSA-N 1 1 399.447 3.068 20 5 GGBDMO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCOCC1 ZINC000131033467 1416498485 /nfs/dbraw/zinc/49/84/85/1416498485.db2.gz NWPANHYIGISUKC-LJQANCHMSA-N 1 1 399.447 3.068 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000131124759 1416512966 /nfs/dbraw/zinc/51/29/66/1416512966.db2.gz UMVDMVQNFABWKD-UHFFFAOYSA-N 1 1 377.485 3.114 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(OC[C@H]4CCOC4)CC3)co2)cc1 ZINC000131624315 1416586183 /nfs/dbraw/zinc/58/61/83/1416586183.db2.gz FBRCOSXYMLKHJV-HNNXBMFYSA-N 1 1 387.436 3.267 20 5 GGBDMO COc1cccc([C@H](C)[NH+]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000178580936 1429113087 /nfs/dbraw/zinc/11/30/87/1429113087.db2.gz WXLWDTMPMIEAHA-HRAATJIYSA-N 1 1 385.464 3.016 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000131984108 1416666759 /nfs/dbraw/zinc/66/67/59/1416666759.db2.gz KBJNFOCAHPAAFD-MRXNPFEDSA-N 1 1 383.448 3.340 20 5 GGBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000132134781 1416704828 /nfs/dbraw/zinc/70/48/28/1416704828.db2.gz XSVOSIYKTNAZSD-APWZRJJASA-N 1 1 399.495 3.001 20 5 GGBDMO COCCC[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000178613376 1429122455 /nfs/dbraw/zinc/12/24/55/1429122455.db2.gz DMUXWPZBCKOJPM-GFCCVEGCSA-N 1 1 378.454 3.014 20 5 GGBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000132279598 1416728252 /nfs/dbraw/zinc/72/82/52/1416728252.db2.gz LLGBBMUZLKZDSG-MRXNPFEDSA-N 1 1 395.525 3.184 20 5 GGBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)c1 ZINC000132354771 1416743566 /nfs/dbraw/zinc/74/35/66/1416743566.db2.gz XNEHWPOHXLWCMC-UHFFFAOYSA-N 1 1 394.353 3.279 20 5 GGBDMO C[C@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000132486617 1416771217 /nfs/dbraw/zinc/77/12/17/1416771217.db2.gz YRWHQBQIGICZDU-FXAWDEMLSA-N 1 1 397.475 3.485 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000132500081 1416773583 /nfs/dbraw/zinc/77/35/83/1416773583.db2.gz NSAORSGDQWAJQH-WBVHZDCISA-N 1 1 391.493 3.186 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000132499666 1416773779 /nfs/dbraw/zinc/77/37/79/1416773779.db2.gz NSAORSGDQWAJQH-RDJZCZTQSA-N 1 1 391.493 3.186 20 5 GGBDMO COCCC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000178613364 1429122238 /nfs/dbraw/zinc/12/22/38/1429122238.db2.gz DMUXWPZBCKOJPM-LBPRGKRZSA-N 1 1 378.454 3.014 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000132541471 1416781892 /nfs/dbraw/zinc/78/18/92/1416781892.db2.gz HMVBZCJASLXAJO-GOSISDBHSA-N 1 1 399.472 3.054 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000132553420 1416783955 /nfs/dbraw/zinc/78/39/55/1416783955.db2.gz DCIJXBNTKIJYEA-LJQANCHMSA-N 1 1 399.472 3.054 20 5 GGBDMO COc1ccc(OC)c(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)c1 ZINC000132594142 1416790218 /nfs/dbraw/zinc/79/02/18/1416790218.db2.gz UGHBCVLLHIPSMJ-UHFFFAOYSA-N 1 1 389.452 3.074 20 5 GGBDMO CN(C)S(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000132642591 1416798444 /nfs/dbraw/zinc/79/84/44/1416798444.db2.gz RJJOZXATTGELOF-UHFFFAOYSA-N 1 1 389.477 3.010 20 5 GGBDMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000132642591 1416798446 /nfs/dbraw/zinc/79/84/46/1416798446.db2.gz RJJOZXATTGELOF-UHFFFAOYSA-N 1 1 389.477 3.010 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000132900658 1416828774 /nfs/dbraw/zinc/82/87/74/1416828774.db2.gz ZAPQBIIWOOOFCM-UHFFFAOYSA-N 1 1 396.422 3.036 20 5 GGBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133191329 1416862566 /nfs/dbraw/zinc/86/25/66/1416862566.db2.gz LBVSPPFTUDCNQT-IBGZPJMESA-N 1 1 384.823 3.184 20 5 GGBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000133248996 1416869919 /nfs/dbraw/zinc/86/99/19/1416869919.db2.gz ZURGJTGPLHCDPM-HNNXBMFYSA-N 1 1 389.839 3.391 20 5 GGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000133248996 1416869921 /nfs/dbraw/zinc/86/99/21/1416869921.db2.gz ZURGJTGPLHCDPM-HNNXBMFYSA-N 1 1 389.839 3.391 20 5 GGBDMO CCOC(=O)c1ccnc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000133333425 1416879787 /nfs/dbraw/zinc/87/97/87/1416879787.db2.gz FXWMSNDITLBXEY-GFCCVEGCSA-N 1 1 390.465 3.087 20 5 GGBDMO CCOC(=O)c1ccnc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000133333425 1416879789 /nfs/dbraw/zinc/87/97/89/1416879789.db2.gz FXWMSNDITLBXEY-GFCCVEGCSA-N 1 1 390.465 3.087 20 5 GGBDMO Cc1c(NC(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cccc1[N+](=O)[O-] ZINC000133627499 1416925105 /nfs/dbraw/zinc/92/51/05/1416925105.db2.gz QYTYAFRLLDJPIE-UHFFFAOYSA-N 1 1 396.447 3.117 20 5 GGBDMO CN(C(=O)C[N@H+](CCCO)Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000134287535 1417049961 /nfs/dbraw/zinc/04/99/61/1417049961.db2.gz WIQCKHNJZRXYIC-UHFFFAOYSA-N 1 1 391.855 3.096 20 5 GGBDMO CN(C(=O)C[N@@H+](CCCO)Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000134287535 1417049970 /nfs/dbraw/zinc/04/99/70/1417049970.db2.gz WIQCKHNJZRXYIC-UHFFFAOYSA-N 1 1 391.855 3.096 20 5 GGBDMO O=C(C[N@@H+](Cc1ccccc1)CC1(O)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000134318669 1417054933 /nfs/dbraw/zinc/05/49/33/1417054933.db2.gz JWYNQZIPKWJVAX-UHFFFAOYSA-N 1 1 383.448 3.341 20 5 GGBDMO CC[C@@H](O)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000134486191 1417075823 /nfs/dbraw/zinc/07/58/23/1417075823.db2.gz ZPHSAGGXYAUNOJ-MRXNPFEDSA-N 1 1 391.855 3.460 20 5 GGBDMO CC[C@@H](O)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000134486191 1417075827 /nfs/dbraw/zinc/07/58/27/1417075827.db2.gz ZPHSAGGXYAUNOJ-MRXNPFEDSA-N 1 1 391.855 3.460 20 5 GGBDMO CC[C@H](O)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000134505386 1417078112 /nfs/dbraw/zinc/07/81/12/1417078112.db2.gz BBJWSLYKTDUNIO-SFHVURJKSA-N 1 1 382.420 3.418 20 5 GGBDMO CC[C@H](O)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000134505386 1417078122 /nfs/dbraw/zinc/07/81/22/1417078122.db2.gz BBJWSLYKTDUNIO-SFHVURJKSA-N 1 1 382.420 3.418 20 5 GGBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134631232 1417101137 /nfs/dbraw/zinc/10/11/37/1417101137.db2.gz AJAZSHJVKFCPHP-UHFFFAOYSA-N 1 1 389.839 3.010 20 5 GGBDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000134645274 1417103674 /nfs/dbraw/zinc/10/36/74/1417103674.db2.gz IXSKMUBBXGNFLL-DZGCQCFKSA-N 1 1 379.457 3.481 20 5 GGBDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000134645274 1417103676 /nfs/dbraw/zinc/10/36/76/1417103676.db2.gz IXSKMUBBXGNFLL-DZGCQCFKSA-N 1 1 379.457 3.481 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000134669177 1417110629 /nfs/dbraw/zinc/11/06/29/1417110629.db2.gz YNYMRJXQJABAJI-CABCVRRESA-N 1 1 379.457 3.351 20 5 GGBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000134769595 1417122878 /nfs/dbraw/zinc/12/28/78/1417122878.db2.gz IMSHXNUTJSZFNK-GOSISDBHSA-N 1 1 397.479 3.011 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000134861013 1417134969 /nfs/dbraw/zinc/13/49/69/1417134969.db2.gz GIMHMSXPVDQQRR-QAPCUYQASA-N 1 1 383.452 3.094 20 5 GGBDMO Cc1c(NC(=O)CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877206 1417138313 /nfs/dbraw/zinc/13/83/13/1417138313.db2.gz AYLSQYCDAFCMCR-UZLBHIALSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877206 1417138333 /nfs/dbraw/zinc/13/83/33/1417138333.db2.gz AYLSQYCDAFCMCR-UZLBHIALSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134877206 1417138335 /nfs/dbraw/zinc/13/83/35/1417138335.db2.gz AYLSQYCDAFCMCR-UZLBHIALSA-N 1 1 386.496 3.181 20 5 GGBDMO O=C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134890447 1417140547 /nfs/dbraw/zinc/14/05/47/1417140547.db2.gz JGDXOQZCMAIYJL-FZKQIMNGSA-N 1 1 392.887 3.135 20 5 GGBDMO O=C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134890476 1417140690 /nfs/dbraw/zinc/14/06/90/1417140690.db2.gz JGDXOQZCMAIYJL-ACJLOTCBSA-N 1 1 392.887 3.135 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134933990 1417147883 /nfs/dbraw/zinc/14/78/83/1417147883.db2.gz OTWWRNBFUXHJMY-OXQOHEQNSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134933990 1417147902 /nfs/dbraw/zinc/14/79/02/1417147902.db2.gz OTWWRNBFUXHJMY-OXQOHEQNSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134933990 1417147905 /nfs/dbraw/zinc/14/79/05/1417147905.db2.gz OTWWRNBFUXHJMY-OXQOHEQNSA-N 1 1 386.496 3.181 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000135119420 1417174184 /nfs/dbraw/zinc/17/41/84/1417174184.db2.gz IPXPSCTYBVYGLN-CQSZACIVSA-N 1 1 398.419 3.158 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000135119420 1417174188 /nfs/dbraw/zinc/17/41/88/1417174188.db2.gz IPXPSCTYBVYGLN-CQSZACIVSA-N 1 1 398.419 3.158 20 5 GGBDMO Cc1cccc([C@H](O)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)c1 ZINC000135493332 1417227933 /nfs/dbraw/zinc/22/79/33/1417227933.db2.gz MBCGORAQOQOWAP-HXUWFJFHSA-N 1 1 380.448 3.336 20 5 GGBDMO Cc1cccc([C@@H](O)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc2)c1 ZINC000135493353 1417228300 /nfs/dbraw/zinc/22/83/00/1417228300.db2.gz MBCGORAQOQOWAP-FQEVSTJZSA-N 1 1 380.448 3.336 20 5 GGBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000136060582 1417288856 /nfs/dbraw/zinc/28/88/56/1417288856.db2.gz YOPOPLDYBJAKLP-AWEZNQCLSA-N 1 1 387.440 3.013 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000178805239 1429175993 /nfs/dbraw/zinc/17/59/93/1429175993.db2.gz MTAJDWKKFHCBFI-MHZLTWQESA-N 1 1 389.477 3.101 20 5 GGBDMO COc1ccc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC(F)F ZINC000136921684 1417355277 /nfs/dbraw/zinc/35/52/77/1417355277.db2.gz MZBWQKNVVVGVCX-HNNXBMFYSA-N 1 1 382.363 3.370 20 5 GGBDMO Cc1c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137489498 1417388646 /nfs/dbraw/zinc/38/86/46/1417388646.db2.gz DNGHZHKWZXMBSV-CZUORRHYSA-N 1 1 398.419 3.204 20 5 GGBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137846720 1417397287 /nfs/dbraw/zinc/39/72/87/1417397287.db2.gz QXIYMNNYLDFJQH-DYVFJYSZSA-N 1 1 398.419 3.204 20 5 GGBDMO C[NH+](C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccccc1Cl ZINC000137970325 1417399685 /nfs/dbraw/zinc/39/96/85/1417399685.db2.gz VRTXHRJZMPKVDG-KRWDZBQOSA-N 1 1 387.827 3.200 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000140041726 1417486111 /nfs/dbraw/zinc/48/61/11/1417486111.db2.gz RPWUCZZVGLLMJU-ZDUSSCGKSA-N 1 1 399.476 3.175 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000140041726 1417486114 /nfs/dbraw/zinc/48/61/14/1417486114.db2.gz RPWUCZZVGLLMJU-ZDUSSCGKSA-N 1 1 399.476 3.175 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000140041726 1417486120 /nfs/dbraw/zinc/48/61/20/1417486120.db2.gz RPWUCZZVGLLMJU-ZDUSSCGKSA-N 1 1 399.476 3.175 20 5 GGBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140175213 1417490713 /nfs/dbraw/zinc/49/07/13/1417490713.db2.gz JAGGNZZYSRLWRA-OAHLLOKOSA-N 1 1 389.477 3.064 20 5 GGBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000178838011 1429189833 /nfs/dbraw/zinc/18/98/33/1429189833.db2.gz VBNBNZXPMFYKPH-OAHLLOKOSA-N 1 1 387.436 3.456 20 5 GGBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000142077851 1417572109 /nfs/dbraw/zinc/57/21/09/1417572109.db2.gz OCLVGELFPGLMFB-GOSISDBHSA-N 1 1 386.496 3.141 20 5 GGBDMO Cc1ccc([C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000142608704 1417593285 /nfs/dbraw/zinc/59/32/85/1417593285.db2.gz STFABECGLYRINN-SFHVURJKSA-N 1 1 389.477 3.019 20 5 GGBDMO CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178860592 1429199322 /nfs/dbraw/zinc/19/93/22/1429199322.db2.gz AGVMDQSROITWCQ-MSOLQXFVSA-N 1 1 393.484 3.350 20 5 GGBDMO CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178860604 1429199696 /nfs/dbraw/zinc/19/96/96/1429199696.db2.gz AGVMDQSROITWCQ-QZTJIDSGSA-N 1 1 393.484 3.350 20 5 GGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000146971122 1417735232 /nfs/dbraw/zinc/73/52/32/1417735232.db2.gz XLASBKBKMPVAMU-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000150875469 1417825894 /nfs/dbraw/zinc/82/58/94/1417825894.db2.gz CVHGQYFVASGURP-VQIMIIECSA-N 1 1 396.491 3.444 20 5 GGBDMO CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000151096277 1417871612 /nfs/dbraw/zinc/87/16/12/1417871612.db2.gz ORXBKVAHLFQGHR-GOSISDBHSA-N 1 1 382.464 3.373 20 5 GGBDMO CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000151096219 1417871640 /nfs/dbraw/zinc/87/16/40/1417871640.db2.gz ORXBKVAHLFQGHR-SFHVURJKSA-N 1 1 382.464 3.373 20 5 GGBDMO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000151162710 1417885273 /nfs/dbraw/zinc/88/52/73/1417885273.db2.gz BPDGQPCONFSHDJ-INIZCTEOSA-N 1 1 388.512 3.170 20 5 GGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000151162710 1417885276 /nfs/dbraw/zinc/88/52/76/1417885276.db2.gz BPDGQPCONFSHDJ-INIZCTEOSA-N 1 1 388.512 3.170 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000151248845 1417903148 /nfs/dbraw/zinc/90/31/48/1417903148.db2.gz PDXRYEYWWBNTHJ-SNVBAGLBSA-N 1 1 390.665 3.225 20 5 GGBDMO CC(C)[NH+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000151382164 1417942905 /nfs/dbraw/zinc/94/29/05/1417942905.db2.gz CZVSJFUSCJAOCA-UHFFFAOYSA-N 1 1 390.665 3.177 20 5 GGBDMO CC[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151479293 1417991968 /nfs/dbraw/zinc/99/19/68/1417991968.db2.gz MXIZXESFVGQEEE-VQTJNVASSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151479293 1417991987 /nfs/dbraw/zinc/99/19/87/1417991987.db2.gz MXIZXESFVGQEEE-VQTJNVASSA-N 1 1 397.475 3.313 20 5 GGBDMO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151477935 1417992972 /nfs/dbraw/zinc/99/29/72/1417992972.db2.gz QCIGMCHYLDNTFS-HZPDHXFCSA-N 1 1 389.477 3.066 20 5 GGBDMO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151477935 1417992986 /nfs/dbraw/zinc/99/29/86/1417992986.db2.gz QCIGMCHYLDNTFS-HZPDHXFCSA-N 1 1 389.477 3.066 20 5 GGBDMO CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151494778 1418002796 /nfs/dbraw/zinc/00/27/96/1418002796.db2.gz SKQAEZJHACNACW-QUCCMNQESA-N 1 1 383.448 3.004 20 5 GGBDMO CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151494778 1418002805 /nfs/dbraw/zinc/00/28/05/1418002805.db2.gz SKQAEZJHACNACW-QUCCMNQESA-N 1 1 383.448 3.004 20 5 GGBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000151673677 1418057632 /nfs/dbraw/zinc/05/76/32/1418057632.db2.gz YTKUUTJKNHLUSI-UHFFFAOYSA-N 1 1 393.440 3.025 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccco3)n2)cc1 ZINC000151741019 1418075572 /nfs/dbraw/zinc/07/55/72/1418075572.db2.gz WYLBEQOTSZQTSM-HOTGVXAUSA-N 1 1 384.392 3.326 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccco3)n2)cc1 ZINC000151741019 1418075577 /nfs/dbraw/zinc/07/55/77/1418075577.db2.gz WYLBEQOTSZQTSM-HOTGVXAUSA-N 1 1 384.392 3.326 20 5 GGBDMO CN(C(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000151761517 1418080678 /nfs/dbraw/zinc/08/06/78/1418080678.db2.gz FDOAWMFSQHZWFK-QGZVFWFLSA-N 1 1 396.447 3.013 20 5 GGBDMO Cc1cc(F)cc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c1[N+](=O)[O-] ZINC000151775277 1418084409 /nfs/dbraw/zinc/08/44/09/1418084409.db2.gz SDWXAXRYMSPHHS-UHFFFAOYSA-N 1 1 393.459 3.055 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccco3)o2)cc1 ZINC000151964949 1418107648 /nfs/dbraw/zinc/10/76/48/1418107648.db2.gz PKMRCADZURPBIO-HOTGVXAUSA-N 1 1 384.392 3.326 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccco3)o2)cc1 ZINC000151964949 1418107650 /nfs/dbraw/zinc/10/76/50/1418107650.db2.gz PKMRCADZURPBIO-HOTGVXAUSA-N 1 1 384.392 3.326 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[N@@H+](C)C1CC1 ZINC000152090982 1418142351 /nfs/dbraw/zinc/14/23/51/1418142351.db2.gz PFWQDOBHJUIQLF-QMMMGPOBSA-N 1 1 390.665 3.223 20 5 GGBDMO CNC(=O)CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179413090 1429364555 /nfs/dbraw/zinc/36/45/55/1429364555.db2.gz LAUBODCBIREFSQ-UHFFFAOYSA-N 1 1 393.447 3.015 20 5 GGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179450577 1429381092 /nfs/dbraw/zinc/38/10/92/1429381092.db2.gz JNMHPXYDOWAMJH-VLIAUNLRSA-N 1 1 382.464 3.094 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179516257 1429405421 /nfs/dbraw/zinc/40/54/21/1429405421.db2.gz RMGKEOFZLRSING-OAHLLOKOSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179516257 1429405424 /nfs/dbraw/zinc/40/54/24/1429405424.db2.gz RMGKEOFZLRSING-OAHLLOKOSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179516257 1429405429 /nfs/dbraw/zinc/40/54/29/1429405429.db2.gz RMGKEOFZLRSING-OAHLLOKOSA-N 1 1 398.467 3.107 20 5 GGBDMO Cc1nn(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179548319 1429424306 /nfs/dbraw/zinc/42/43/06/1429424306.db2.gz YEKGUWSBTDISLB-HNNXBMFYSA-N 1 1 389.456 3.152 20 5 GGBDMO Cc1nn(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000179548319 1429424310 /nfs/dbraw/zinc/42/43/10/1429424310.db2.gz YEKGUWSBTDISLB-HNNXBMFYSA-N 1 1 389.456 3.152 20 5 GGBDMO CCc1ccc([C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000179562853 1429435252 /nfs/dbraw/zinc/43/52/52/1429435252.db2.gz PPIGSCGEHGNNQG-HNNXBMFYSA-N 1 1 397.522 3.337 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](OCCO)C3)o2)c(Cl)c1 ZINC000179570045 1429440071 /nfs/dbraw/zinc/44/00/71/1429440071.db2.gz QZJIAVVHMAKSAY-CQSZACIVSA-N 1 1 380.828 3.482 20 5 GGBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000179581167 1429450806 /nfs/dbraw/zinc/45/08/06/1429450806.db2.gz ABZUOVNWHQEHJK-HNNXBMFYSA-N 1 1 375.812 3.490 20 5 GGBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000179581167 1429450814 /nfs/dbraw/zinc/45/08/14/1429450814.db2.gz ABZUOVNWHQEHJK-HNNXBMFYSA-N 1 1 375.812 3.490 20 5 GGBDMO Cn1cc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179633230 1429481449 /nfs/dbraw/zinc/48/14/49/1429481449.db2.gz BWDXDLHBAQXTKU-SFHVURJKSA-N 1 1 394.431 3.267 20 5 GGBDMO CC(C)[N@H+](CC(N)=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179660579 1429495652 /nfs/dbraw/zinc/49/56/52/1429495652.db2.gz REXYPCJJCVRWHO-UHFFFAOYSA-N 1 1 393.447 3.143 20 5 GGBDMO CC(C)[N@@H+](CC(N)=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179660579 1429495656 /nfs/dbraw/zinc/49/56/56/1429495656.db2.gz REXYPCJJCVRWHO-UHFFFAOYSA-N 1 1 393.447 3.143 20 5 GGBDMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000152344236 1422078646 /nfs/dbraw/zinc/07/86/46/1422078646.db2.gz FMZNFRKQMBEOTL-UHFFFAOYSA-N 1 1 397.410 3.392 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000152898405 1422287914 /nfs/dbraw/zinc/28/79/14/1422287914.db2.gz AWQQQKZTPYZRCF-UHFFFAOYSA-N 1 1 391.468 3.357 20 5 GGBDMO Cc1cccc(NC2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000153069013 1422345648 /nfs/dbraw/zinc/34/56/48/1422345648.db2.gz DYWMOFGWCOHPSG-UHFFFAOYSA-N 1 1 394.475 3.369 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c([N+](=O)[O-])cc1OC ZINC000179778275 1429556747 /nfs/dbraw/zinc/55/67/47/1429556747.db2.gz IJVSUNBSZAWHII-CQSZACIVSA-N 1 1 397.435 3.034 20 5 GGBDMO O=C(CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc2c(c1)OCO2 ZINC000153225139 1422400231 /nfs/dbraw/zinc/40/02/31/1422400231.db2.gz CFMWWWLTSOBKBT-UHFFFAOYSA-N 1 1 383.404 3.317 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153268934 1422429774 /nfs/dbraw/zinc/42/97/74/1422429774.db2.gz RAAMJWDAVIERIQ-AWEZNQCLSA-N 1 1 393.509 3.080 20 5 GGBDMO COc1ccc(C[N@H+]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000153308617 1422459413 /nfs/dbraw/zinc/45/94/13/1422459413.db2.gz BDQFKVFSFIDQKS-UHFFFAOYSA-N 1 1 397.475 3.271 20 5 GGBDMO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153426117 1422528355 /nfs/dbraw/zinc/52/83/55/1422528355.db2.gz BUAGRLKNWXVJHH-UHFFFAOYSA-N 1 1 383.876 3.003 20 5 GGBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153452133 1422543582 /nfs/dbraw/zinc/54/35/82/1422543582.db2.gz RDKGUCLWPJHUJL-OAHLLOKOSA-N 1 1 386.452 3.378 20 5 GGBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153452133 1422543594 /nfs/dbraw/zinc/54/35/94/1422543594.db2.gz RDKGUCLWPJHUJL-OAHLLOKOSA-N 1 1 386.452 3.378 20 5 GGBDMO COc1cc2c(cc1OC)C[N@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000153609664 1422646929 /nfs/dbraw/zinc/64/69/29/1422646929.db2.gz ZSSDVYXKUXBCRX-UHFFFAOYSA-N 1 1 392.843 3.131 20 5 GGBDMO COc1cc2c(cc1OC)C[N@@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000153609664 1422646939 /nfs/dbraw/zinc/64/69/39/1422646939.db2.gz ZSSDVYXKUXBCRX-UHFFFAOYSA-N 1 1 392.843 3.131 20 5 GGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](O)COCc1ccccc1 ZINC000153704301 1422710290 /nfs/dbraw/zinc/71/02/90/1422710290.db2.gz XSTWENLAKURORI-HXUWFJFHSA-N 1 1 397.431 3.259 20 5 GGBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](O)COCc1ccccc1 ZINC000153704301 1422710303 /nfs/dbraw/zinc/71/03/03/1422710303.db2.gz XSTWENLAKURORI-HXUWFJFHSA-N 1 1 397.431 3.259 20 5 GGBDMO O=C(NC1CC1)c1ccc(C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153707092 1422713763 /nfs/dbraw/zinc/71/37/63/1422713763.db2.gz UNKPNNRLHBGMJD-NRFANRHFSA-N 1 1 395.459 3.185 20 5 GGBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000153745899 1422735640 /nfs/dbraw/zinc/73/56/40/1422735640.db2.gz JXVKBGOUONZAMG-SOLBZPMBSA-N 1 1 388.512 3.243 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000153790249 1422759980 /nfs/dbraw/zinc/75/99/80/1422759980.db2.gz HTMGHRURHWZQAC-NVXWUHKLSA-N 1 1 378.473 3.162 20 5 GGBDMO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000153828636 1422785331 /nfs/dbraw/zinc/78/53/31/1422785331.db2.gz KNQXXLULTDXINO-UHFFFAOYSA-N 1 1 393.465 3.246 20 5 GGBDMO CN(C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000153835857 1422789815 /nfs/dbraw/zinc/78/98/15/1422789815.db2.gz YKVUUBKERXIXKS-QAPCUYQASA-N 1 1 393.484 3.207 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000153956238 1422816652 /nfs/dbraw/zinc/81/66/52/1422816652.db2.gz YULSOIZJDVMDQD-HNNXBMFYSA-N 1 1 395.525 3.041 20 5 GGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000153959279 1422817419 /nfs/dbraw/zinc/81/74/19/1422817419.db2.gz NINHBZNCVKKBRB-ROUUACIJSA-N 1 1 389.452 3.172 20 5 GGBDMO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[N@H+]1CCc2ccccc2C1 ZINC000153996206 1422822884 /nfs/dbraw/zinc/82/28/84/1422822884.db2.gz NFVACOHMDUJNKQ-GOSISDBHSA-N 1 1 383.448 3.170 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000154028187 1422828446 /nfs/dbraw/zinc/82/84/46/1422828446.db2.gz JOSWBPZESOAVOA-UHFFFAOYSA-N 1 1 379.457 3.284 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000154028187 1422828447 /nfs/dbraw/zinc/82/84/47/1422828447.db2.gz JOSWBPZESOAVOA-UHFFFAOYSA-N 1 1 379.457 3.284 20 5 GGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000154033080 1422829078 /nfs/dbraw/zinc/82/90/78/1422829078.db2.gz RWVWJASDTKKHJH-MSOLQXFVSA-N 1 1 391.468 3.212 20 5 GGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000154085279 1422838016 /nfs/dbraw/zinc/83/80/16/1422838016.db2.gz JWURMVMERXTYLA-KSSFIOAISA-N 1 1 375.494 3.162 20 5 GGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000154089795 1422839106 /nfs/dbraw/zinc/83/91/06/1422839106.db2.gz CNOOVZBRTFLCCX-IYBDPMFKSA-N 1 1 386.496 3.493 20 5 GGBDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000154206982 1422855166 /nfs/dbraw/zinc/85/51/66/1422855166.db2.gz MPEYGCNSPSCWBO-CQSZACIVSA-N 1 1 387.436 3.461 20 5 GGBDMO CCOc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c([N+](=O)[O-])cc1OC ZINC000154264813 1422863860 /nfs/dbraw/zinc/86/38/60/1422863860.db2.gz UWGJDNHCTZBFQJ-HNNXBMFYSA-N 1 1 393.484 3.242 20 5 GGBDMO CN(C)C(=O)COc1ccccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154290145 1422867595 /nfs/dbraw/zinc/86/75/95/1422867595.db2.gz GLBLHBJPJHTPEB-UHFFFAOYSA-N 1 1 383.448 3.226 20 5 GGBDMO CN(C)C(=O)COc1ccccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154290145 1422867596 /nfs/dbraw/zinc/86/75/96/1422867596.db2.gz GLBLHBJPJHTPEB-UHFFFAOYSA-N 1 1 383.448 3.226 20 5 GGBDMO CC(C)[N@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000154409044 1422885354 /nfs/dbraw/zinc/88/53/54/1422885354.db2.gz XFFPQQJTEGFXNX-UHFFFAOYSA-N 1 1 392.477 3.288 20 5 GGBDMO CC(C)[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000154409044 1422885355 /nfs/dbraw/zinc/88/53/55/1422885355.db2.gz XFFPQQJTEGFXNX-UHFFFAOYSA-N 1 1 392.477 3.288 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179820665 1429593073 /nfs/dbraw/zinc/59/30/73/1429593073.db2.gz QMGGRBXYLMRQLZ-KRWDZBQOSA-N 1 1 387.440 3.479 20 5 GGBDMO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000154524954 1422902432 /nfs/dbraw/zinc/90/24/32/1422902432.db2.gz LDEBZYXMFHHWMM-UHFFFAOYSA-N 1 1 390.831 3.405 20 5 GGBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000154524954 1422902443 /nfs/dbraw/zinc/90/24/43/1422902443.db2.gz LDEBZYXMFHHWMM-UHFFFAOYSA-N 1 1 390.831 3.405 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000154618160 1422965427 /nfs/dbraw/zinc/96/54/27/1422965427.db2.gz CBQANILVZWXBEG-SFHVURJKSA-N 1 1 386.448 3.387 20 5 GGBDMO CC(C)(CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000154673218 1422996783 /nfs/dbraw/zinc/99/67/83/1422996783.db2.gz JQZWQAYWLGSWQJ-UHFFFAOYSA-N 1 1 381.476 3.481 20 5 GGBDMO O=C1N(C[N@@H+]2CCCN(c3ccccc3)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154687076 1423001238 /nfs/dbraw/zinc/00/12/38/1423001238.db2.gz ZMUXXZCXUPZPKE-UHFFFAOYSA-N 1 1 395.463 3.007 20 5 GGBDMO O=C1N(C[N@H+]2CCCN(c3ccccc3)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154687076 1423001247 /nfs/dbraw/zinc/00/12/47/1423001247.db2.gz ZMUXXZCXUPZPKE-UHFFFAOYSA-N 1 1 395.463 3.007 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000154805336 1423039533 /nfs/dbraw/zinc/03/95/33/1423039533.db2.gz XMGVFOQFMYWRNP-KSSFIOAISA-N 1 1 380.448 3.232 20 5 GGBDMO O=C(C[N@@H+]1CCC[C@H](Nc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000155008676 1423111301 /nfs/dbraw/zinc/11/13/01/1423111301.db2.gz BNWBMGFQIPOSJC-SFHVURJKSA-N 1 1 380.448 3.060 20 5 GGBDMO O=C(C[N@H+]1CCC[C@H](Nc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000155008676 1423111318 /nfs/dbraw/zinc/11/13/18/1423111318.db2.gz BNWBMGFQIPOSJC-SFHVURJKSA-N 1 1 380.448 3.060 20 5 GGBDMO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000155334105 1423321913 /nfs/dbraw/zinc/32/19/13/1423321913.db2.gz JWZQLXKVOYTKLU-HOCLYGCPSA-N 1 1 399.447 3.429 20 5 GGBDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000155334105 1423321924 /nfs/dbraw/zinc/32/19/24/1423321924.db2.gz JWZQLXKVOYTKLU-HOCLYGCPSA-N 1 1 399.447 3.429 20 5 GGBDMO CN(c1ccccc1)c1ccc(C[N@H+](CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000155499561 1423388007 /nfs/dbraw/zinc/38/80/07/1423388007.db2.gz SCAAANSCGRJWPF-UHFFFAOYSA-N 1 1 398.507 3.251 20 5 GGBDMO CN(c1ccccc1)c1ccc(C[N@@H+](CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000155499561 1423388017 /nfs/dbraw/zinc/38/80/17/1423388017.db2.gz SCAAANSCGRJWPF-UHFFFAOYSA-N 1 1 398.507 3.251 20 5 GGBDMO CN1CCC([N@@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000155499070 1423388164 /nfs/dbraw/zinc/38/81/64/1423388164.db2.gz PKPXBCVFMNUDKR-UHFFFAOYSA-N 1 1 375.494 3.212 20 5 GGBDMO C[NH+]1CCC(N(CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000155499070 1423388173 /nfs/dbraw/zinc/38/81/73/1423388173.db2.gz PKPXBCVFMNUDKR-UHFFFAOYSA-N 1 1 375.494 3.212 20 5 GGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC[C@@H]21 ZINC000155706383 1423496931 /nfs/dbraw/zinc/49/69/31/1423496931.db2.gz HCOGSXYSBPZVQE-XLIONFOSSA-N 1 1 389.499 3.097 20 5 GGBDMO COc1cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179938698 1429652523 /nfs/dbraw/zinc/65/25/23/1429652523.db2.gz HTELMMWOPUJCRQ-CYBMUJFWSA-N 1 1 387.427 3.021 20 5 GGBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000179953333 1429660763 /nfs/dbraw/zinc/66/07/63/1429660763.db2.gz JFBGROMKDJCHHX-LBPRGKRZSA-N 1 1 391.399 3.431 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](Cc3ccccc3)[C@@H](CO)C3CC3)n2)c1 ZINC000155957026 1423609422 /nfs/dbraw/zinc/60/94/22/1423609422.db2.gz FKAZCADIKOKVEI-IBGZPJMESA-N 1 1 394.431 3.418 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](Cc3ccccc3)[C@@H](CO)C3CC3)n2)c1 ZINC000155957026 1423609433 /nfs/dbraw/zinc/60/94/33/1423609433.db2.gz FKAZCADIKOKVEI-IBGZPJMESA-N 1 1 394.431 3.418 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](Cc3ccccc3)[C@H](CO)C3CC3)n2)c1 ZINC000155957151 1423609506 /nfs/dbraw/zinc/60/95/06/1423609506.db2.gz FKAZCADIKOKVEI-LJQANCHMSA-N 1 1 394.431 3.418 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](Cc3ccccc3)[C@H](CO)C3CC3)n2)c1 ZINC000155957151 1423609509 /nfs/dbraw/zinc/60/95/09/1423609509.db2.gz FKAZCADIKOKVEI-LJQANCHMSA-N 1 1 394.431 3.418 20 5 GGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179951429 1429659875 /nfs/dbraw/zinc/65/98/75/1429659875.db2.gz YOVLQRDSWFGWQH-AWEZNQCLSA-N 1 1 395.362 3.356 20 5 GGBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000156530437 1423823811 /nfs/dbraw/zinc/82/38/11/1423823811.db2.gz UOWZQEQEDBFHTJ-OAHLLOKOSA-N 1 1 398.463 3.146 20 5 GGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000156530437 1423823812 /nfs/dbraw/zinc/82/38/12/1423823812.db2.gz UOWZQEQEDBFHTJ-OAHLLOKOSA-N 1 1 398.463 3.146 20 5 GGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000156624018 1423837609 /nfs/dbraw/zinc/83/76/09/1423837609.db2.gz RJRXOLXDTAETKP-UHFFFAOYSA-N 1 1 378.392 3.311 20 5 GGBDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1O ZINC000156863262 1423876844 /nfs/dbraw/zinc/87/68/44/1423876844.db2.gz MTGSKKFFVHHSMH-LLVKDONJSA-N 1 1 393.827 3.421 20 5 GGBDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1O ZINC000156863262 1423876846 /nfs/dbraw/zinc/87/68/46/1423876846.db2.gz MTGSKKFFVHHSMH-LLVKDONJSA-N 1 1 393.827 3.421 20 5 GGBDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1O ZINC000156888928 1423880966 /nfs/dbraw/zinc/88/09/66/1423880966.db2.gz WUEOLCKEUODDNB-LLVKDONJSA-N 1 1 393.827 3.421 20 5 GGBDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1O ZINC000156888928 1423880974 /nfs/dbraw/zinc/88/09/74/1423880974.db2.gz WUEOLCKEUODDNB-LLVKDONJSA-N 1 1 393.827 3.421 20 5 GGBDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000156998795 1423899642 /nfs/dbraw/zinc/89/96/42/1423899642.db2.gz KIAJXVNOVBVEDK-UZLBHIALSA-N 1 1 396.491 3.179 20 5 GGBDMO C[C@H]1C[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000156998904 1423899650 /nfs/dbraw/zinc/89/96/50/1423899650.db2.gz KIAJXVNOVBVEDK-JXFKEZNVSA-N 1 1 396.491 3.179 20 5 GGBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000157074922 1423918097 /nfs/dbraw/zinc/91/80/97/1423918097.db2.gz SPZFBOJVILNEGF-CYBMUJFWSA-N 1 1 375.812 3.348 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000157569166 1424039422 /nfs/dbraw/zinc/03/94/22/1424039422.db2.gz DCMAUSXGAIKESP-QGZVFWFLSA-N 1 1 389.496 3.477 20 5 GGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000157693876 1424066463 /nfs/dbraw/zinc/06/64/63/1424066463.db2.gz SXWBACVEFZEDKI-PZJWPPBQSA-N 1 1 386.448 3.188 20 5 GGBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000157693876 1424066472 /nfs/dbraw/zinc/06/64/72/1424066472.db2.gz SXWBACVEFZEDKI-PZJWPPBQSA-N 1 1 386.448 3.188 20 5 GGBDMO CCCc1n[nH]c(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000157714026 1424071968 /nfs/dbraw/zinc/07/19/68/1424071968.db2.gz SLRVQXNTOXYRKW-HNNXBMFYSA-N 1 1 391.516 3.387 20 5 GGBDMO CCCc1[nH]nc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000157714026 1424071978 /nfs/dbraw/zinc/07/19/78/1424071978.db2.gz SLRVQXNTOXYRKW-HNNXBMFYSA-N 1 1 391.516 3.387 20 5 GGBDMO CCCc1[nH]nc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000157714026 1424071984 /nfs/dbraw/zinc/07/19/84/1424071984.db2.gz SLRVQXNTOXYRKW-HNNXBMFYSA-N 1 1 391.516 3.387 20 5 GGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000157838641 1424100159 /nfs/dbraw/zinc/10/01/59/1424100159.db2.gz BZPFPJVORRBFDA-CQSZACIVSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000157838641 1424100176 /nfs/dbraw/zinc/10/01/76/1424100176.db2.gz BZPFPJVORRBFDA-CQSZACIVSA-N 1 1 385.420 3.040 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000157943707 1424125873 /nfs/dbraw/zinc/12/58/73/1424125873.db2.gz BWQWNVCEYBZKTI-OAHLLOKOSA-N 1 1 399.447 3.430 20 5 GGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000158184107 1424188344 /nfs/dbraw/zinc/18/83/44/1424188344.db2.gz CDCBLLQYVTXGJY-KRWDZBQOSA-N 1 1 385.247 3.430 20 5 GGBDMO O=C(CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000158709666 1424324546 /nfs/dbraw/zinc/32/45/46/1424324546.db2.gz ZENGYOSDZXZTFV-OAQYLSRUSA-N 1 1 381.432 3.097 20 5 GGBDMO O=C(CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)Nc1ccccc1[N+](=O)[O-] ZINC000159067490 1424409624 /nfs/dbraw/zinc/40/96/24/1424409624.db2.gz CLARIRHMQWCEAH-NRFANRHFSA-N 1 1 381.432 3.097 20 5 GGBDMO O=C(CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1)Nc1ccccc1[N+](=O)[O-] ZINC000159067490 1424409625 /nfs/dbraw/zinc/40/96/25/1424409625.db2.gz CLARIRHMQWCEAH-NRFANRHFSA-N 1 1 381.432 3.097 20 5 GGBDMO O=C(CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)Nc1ccccc1[N+](=O)[O-] ZINC000159067351 1424409661 /nfs/dbraw/zinc/40/96/61/1424409661.db2.gz CLARIRHMQWCEAH-OAQYLSRUSA-N 1 1 381.432 3.097 20 5 GGBDMO O=C(CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1)Nc1ccccc1[N+](=O)[O-] ZINC000159067351 1424409664 /nfs/dbraw/zinc/40/96/64/1424409664.db2.gz CLARIRHMQWCEAH-OAQYLSRUSA-N 1 1 381.432 3.097 20 5 GGBDMO COc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000159175054 1424435465 /nfs/dbraw/zinc/43/54/65/1424435465.db2.gz YFPACWOYBGUAOX-UHFFFAOYSA-N 1 1 393.447 3.316 20 5 GGBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000159370704 1424496909 /nfs/dbraw/zinc/49/69/09/1424496909.db2.gz OCMMLTDRKOWWTH-CYBMUJFWSA-N 1 1 378.450 3.248 20 5 GGBDMO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000159422649 1424501549 /nfs/dbraw/zinc/50/15/49/1424501549.db2.gz WQEIJENPEQHDTF-MRXNPFEDSA-N 1 1 383.514 3.012 20 5 GGBDMO CCC[C@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC[N@H+]1CCOC ZINC000159766365 1424532554 /nfs/dbraw/zinc/53/25/54/1424532554.db2.gz JMFVJPCARRLJDY-HNNXBMFYSA-N 1 1 394.497 3.262 20 5 GGBDMO O=C(c1ccc(Cl)cc1)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159771043 1424533532 /nfs/dbraw/zinc/53/35/32/1424533532.db2.gz VBVBTMSTDLBCBD-UHFFFAOYSA-N 1 1 389.839 3.005 20 5 GGBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159778359 1424534109 /nfs/dbraw/zinc/53/41/09/1424534109.db2.gz CLZGZMPHUXIYAO-HXUWFJFHSA-N 1 1 382.464 3.401 20 5 GGBDMO CN(C)c1cccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000159774267 1424534335 /nfs/dbraw/zinc/53/43/35/1424534335.db2.gz UOVNDLUNIVWPLM-UHFFFAOYSA-N 1 1 376.844 3.385 20 5 GGBDMO CN(C)c1cccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000159774267 1424534347 /nfs/dbraw/zinc/53/43/47/1424534347.db2.gz UOVNDLUNIVWPLM-UHFFFAOYSA-N 1 1 376.844 3.385 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159855747 1424543386 /nfs/dbraw/zinc/54/33/86/1424543386.db2.gz RBVISGZQUZNPEV-AWEZNQCLSA-N 1 1 386.452 3.128 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159855747 1424543401 /nfs/dbraw/zinc/54/34/01/1424543401.db2.gz RBVISGZQUZNPEV-AWEZNQCLSA-N 1 1 386.452 3.128 20 5 GGBDMO CCCc1[nH]nc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000160254219 1424590781 /nfs/dbraw/zinc/59/07/81/1424590781.db2.gz MLJPUSCAEQLQLY-UHFFFAOYSA-N 1 1 385.468 3.007 20 5 GGBDMO COc1cc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000160857171 1424639951 /nfs/dbraw/zinc/63/99/51/1424639951.db2.gz DBNLFQLILMBTBX-UHFFFAOYSA-N 1 1 375.469 3.332 20 5 GGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000161669662 1424737224 /nfs/dbraw/zinc/73/72/24/1424737224.db2.gz YDOWYPIGJLUYJJ-OAHLLOKOSA-N 1 1 389.477 3.489 20 5 GGBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000161726903 1424752137 /nfs/dbraw/zinc/75/21/37/1424752137.db2.gz KHAKZGFJRWECBO-GUYCJALGSA-N 1 1 393.509 3.078 20 5 GGBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000161726903 1424752142 /nfs/dbraw/zinc/75/21/42/1424752142.db2.gz KHAKZGFJRWECBO-GUYCJALGSA-N 1 1 393.509 3.078 20 5 GGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000161869284 1424783858 /nfs/dbraw/zinc/78/38/58/1424783858.db2.gz BSNQNFUSKKRTJR-INIZCTEOSA-N 1 1 391.468 3.287 20 5 GGBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000161927802 1424799125 /nfs/dbraw/zinc/79/91/25/1424799125.db2.gz GMOLWRMLRRDTNR-MLGOLLRUSA-N 1 1 393.871 3.488 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000162517523 1424860461 /nfs/dbraw/zinc/86/04/61/1424860461.db2.gz PZHSDSVGFFVDDM-UHFFFAOYSA-N 1 1 397.479 3.189 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000162591797 1424869894 /nfs/dbraw/zinc/86/98/94/1424869894.db2.gz NTMQEWOHUBEKPA-UHFFFAOYSA-N 1 1 377.485 3.372 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000162846372 1424896157 /nfs/dbraw/zinc/89/61/57/1424896157.db2.gz NBAHUBBBBMHJEW-MRXNPFEDSA-N 1 1 398.463 3.446 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000162846372 1424896160 /nfs/dbraw/zinc/89/61/60/1424896160.db2.gz NBAHUBBBBMHJEW-MRXNPFEDSA-N 1 1 398.463 3.446 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000163010131 1424923311 /nfs/dbraw/zinc/92/33/11/1424923311.db2.gz FTKCASWKMIUHBL-QAPCUYQASA-N 1 1 378.473 3.162 20 5 GGBDMO CCC[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@H+]1CCOC ZINC000163302913 1424976364 /nfs/dbraw/zinc/97/63/64/1424976364.db2.gz CRCSOLVXFBBLPK-INIZCTEOSA-N 1 1 378.473 3.176 20 5 GGBDMO Cc1ccc([C@H](C)[NH2+]CC2CCN(CC(=O)NC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000163514238 1425010798 /nfs/dbraw/zinc/01/07/98/1425010798.db2.gz TYWOAVRUDFNWPP-INIZCTEOSA-N 1 1 390.528 3.181 20 5 GGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163514201 1425011118 /nfs/dbraw/zinc/01/11/18/1425011118.db2.gz UEXATDFBWCTPHB-IYBDPMFKSA-N 1 1 380.920 3.239 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1SC ZINC000163599974 1425023687 /nfs/dbraw/zinc/02/36/87/1425023687.db2.gz ZUVKGWYDBSRXKI-AWEZNQCLSA-N 1 1 395.525 3.423 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000163649936 1425029327 /nfs/dbraw/zinc/02/93/27/1425029327.db2.gz QBPOLPLXTANXNM-HNNXBMFYSA-N 1 1 393.484 3.100 20 5 GGBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc2c(c1)OCO2 ZINC000164384562 1425105688 /nfs/dbraw/zinc/10/56/88/1425105688.db2.gz AZTPPXUUBFXBFP-UHFFFAOYSA-N 1 1 385.420 3.483 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCN(c4nccs4)CC3)o2)c1 ZINC000170914032 1425388748 /nfs/dbraw/zinc/38/87/48/1425388748.db2.gz FSFYNDNYQSXWKD-UHFFFAOYSA-N 1 1 399.476 3.461 20 5 GGBDMO COc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000170917620 1425390262 /nfs/dbraw/zinc/39/02/62/1425390262.db2.gz IRBKNYTYNNQMGD-HNNXBMFYSA-N 1 1 379.457 3.292 20 5 GGBDMO Cc1cc(C(=O)NC2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)c(C)o1 ZINC000171045350 1425453769 /nfs/dbraw/zinc/45/37/69/1425453769.db2.gz DNJRCWLBKZZVGM-UHFFFAOYSA-N 1 1 397.435 3.006 20 5 GGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc1F ZINC000171186712 1425530105 /nfs/dbraw/zinc/53/01/05/1425530105.db2.gz USHQIEMJNKSDDL-UHFFFAOYSA-N 1 1 383.383 3.227 20 5 GGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171202620 1425537781 /nfs/dbraw/zinc/53/77/81/1425537781.db2.gz FNHFFEOMVLPMKK-FQEVSTJZSA-N 1 1 397.479 3.186 20 5 GGBDMO CCc1n[nH]c(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171371339 1425646025 /nfs/dbraw/zinc/64/60/25/1425646025.db2.gz BNGMORFGAHTBKO-HNNXBMFYSA-N 1 1 391.859 3.101 20 5 GGBDMO CCc1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000171399646 1425662085 /nfs/dbraw/zinc/66/20/85/1425662085.db2.gz ANADUEYFEUJLAK-AWEZNQCLSA-N 1 1 385.468 3.042 20 5 GGBDMO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171400064 1425663104 /nfs/dbraw/zinc/66/31/04/1425663104.db2.gz LAVLITVULVUEOT-GASCZTMLSA-N 1 1 399.495 3.288 20 5 GGBDMO CCc1n[nH]c(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000171400005 1425663227 /nfs/dbraw/zinc/66/32/27/1425663227.db2.gz MZTGMMXOGKMFKL-GASCZTMLSA-N 1 1 399.495 3.288 20 5 GGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171564836 1425738739 /nfs/dbraw/zinc/73/87/39/1425738739.db2.gz LFFTVSOXSBYBAR-HXUWFJFHSA-N 1 1 396.491 3.001 20 5 GGBDMO CN(c1ccccc1)C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000171758724 1425813165 /nfs/dbraw/zinc/81/31/65/1425813165.db2.gz HVSRMCLDSBVDBV-OAQYLSRUSA-N 1 1 394.475 3.301 20 5 GGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172237865 1425960686 /nfs/dbraw/zinc/96/06/86/1425960686.db2.gz GEKLVTZYRVVSSB-IYBDPMFKSA-N 1 1 380.920 3.239 20 5 GGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1OC ZINC000172417252 1426034504 /nfs/dbraw/zinc/03/45/04/1426034504.db2.gz FRADVPJVJDWVIJ-UHFFFAOYSA-N 1 1 391.468 3.093 20 5 GGBDMO O=C(CN1CCC[N@H+](C2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000172584024 1426098501 /nfs/dbraw/zinc/09/85/01/1426098501.db2.gz ZCPSZTIBYBWAFE-UHFFFAOYSA-N 1 1 380.876 3.137 20 5 GGBDMO O=C(CN1CCC[N@H+](C2CCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172585667 1426099281 /nfs/dbraw/zinc/09/92/81/1426099281.db2.gz MOHJAVXEYWNLBS-UHFFFAOYSA-N 1 1 380.876 3.137 20 5 GGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000172672039 1426136913 /nfs/dbraw/zinc/13/69/13/1426136913.db2.gz NSFWJRUFBSSDFM-UHFFFAOYSA-N 1 1 389.260 3.465 20 5 GGBDMO CCOC(=O)c1ccnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172813685 1426201246 /nfs/dbraw/zinc/20/12/46/1426201246.db2.gz LKLIZBMAICICFB-MRXNPFEDSA-N 1 1 398.463 3.267 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@H](COCc4ccccc4)C3)n2)c1 ZINC000172970745 1426288467 /nfs/dbraw/zinc/28/84/67/1426288467.db2.gz ZTTMRRMMEYVYIP-SFHVURJKSA-N 1 1 393.447 3.350 20 5 GGBDMO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173427058 1426608586 /nfs/dbraw/zinc/60/85/86/1426608586.db2.gz FFNZCCHMSSKFDZ-KRWDZBQOSA-N 1 1 396.491 3.271 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173450048 1426627791 /nfs/dbraw/zinc/62/77/91/1426627791.db2.gz WGTTXYNIACLEPF-MSOLQXFVSA-N 1 1 388.512 3.144 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)nc1 ZINC000173462483 1426636322 /nfs/dbraw/zinc/63/63/22/1426636322.db2.gz UTHVKAZTLNENIY-CYBMUJFWSA-N 1 1 390.827 3.101 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)nc1 ZINC000173462483 1426636332 /nfs/dbraw/zinc/63/63/32/1426636332.db2.gz UTHVKAZTLNENIY-CYBMUJFWSA-N 1 1 390.827 3.101 20 5 GGBDMO CC(C)n1ncc2cc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cnc21 ZINC000173463363 1426637620 /nfs/dbraw/zinc/63/76/20/1426637620.db2.gz HYPRXUGWLKSHHY-MRXNPFEDSA-N 1 1 381.440 3.002 20 5 GGBDMO CC(C)n1ncc2cc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cnc21 ZINC000173463350 1426637934 /nfs/dbraw/zinc/63/79/34/1426637934.db2.gz HYPRXUGWLKSHHY-INIZCTEOSA-N 1 1 381.440 3.002 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)nc1 ZINC000173468189 1426643391 /nfs/dbraw/zinc/64/33/91/1426643391.db2.gz FSMRNXFCGGAUGG-CYBMUJFWSA-N 1 1 383.383 3.470 20 5 GGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)nc1 ZINC000173468189 1426643410 /nfs/dbraw/zinc/64/34/10/1426643410.db2.gz FSMRNXFCGGAUGG-CYBMUJFWSA-N 1 1 383.383 3.470 20 5 GGBDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173469148 1426644367 /nfs/dbraw/zinc/64/43/67/1426644367.db2.gz LHFXHUVYEAAYIN-ULQDDVLXSA-N 1 1 397.479 3.050 20 5 GGBDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173469148 1426644377 /nfs/dbraw/zinc/64/43/77/1426644377.db2.gz LHFXHUVYEAAYIN-ULQDDVLXSA-N 1 1 397.479 3.050 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000173512813 1426683548 /nfs/dbraw/zinc/68/35/48/1426683548.db2.gz HPCQAVAOEHVYMU-INIZCTEOSA-N 1 1 383.448 3.340 20 5 GGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000173514945 1426684930 /nfs/dbraw/zinc/68/49/30/1426684930.db2.gz FTUDISFAQFZLGM-GOSISDBHSA-N 1 1 379.464 3.356 20 5 GGBDMO C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000173531107 1426705507 /nfs/dbraw/zinc/70/55/07/1426705507.db2.gz IIYAXFTUVUTOFL-QGZVFWFLSA-N 1 1 383.448 3.097 20 5 GGBDMO O=[N+]([O-])c1cnn(CN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000173553583 1426726022 /nfs/dbraw/zinc/72/60/22/1426726022.db2.gz GJOXRADHPOONGM-INIZCTEOSA-N 1 1 397.401 3.135 20 5 GGBDMO C[C@@H](CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000173593076 1426756733 /nfs/dbraw/zinc/75/67/33/1426756733.db2.gz CPNGJGKAQJHZBN-HNNXBMFYSA-N 1 1 389.427 3.140 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173649866 1426810227 /nfs/dbraw/zinc/81/02/27/1426810227.db2.gz GZWPDABPFYCDHH-SFHVURJKSA-N 1 1 383.448 3.380 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173649866 1426810229 /nfs/dbraw/zinc/81/02/29/1426810229.db2.gz GZWPDABPFYCDHH-SFHVURJKSA-N 1 1 383.448 3.380 20 5 GGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173651746 1426810676 /nfs/dbraw/zinc/81/06/76/1426810676.db2.gz MTKGJUNTXUAXAC-AEFFLSMTSA-N 1 1 383.448 3.461 20 5 GGBDMO O=C(C[N@H+]1CC[C@H](COCc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173652238 1426810879 /nfs/dbraw/zinc/81/08/79/1426810879.db2.gz VAOONWKOZYKBFF-SFHVURJKSA-N 1 1 395.459 3.023 20 5 GGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173653633 1426811196 /nfs/dbraw/zinc/81/11/96/1426811196.db2.gz RPRCNYTYNSXJIZ-AEFFLSMTSA-N 1 1 383.448 3.461 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000173654355 1426811420 /nfs/dbraw/zinc/81/14/20/1426811420.db2.gz RSFADBWFUURWBG-QGZVFWFLSA-N 1 1 399.447 3.081 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000173654355 1426811425 /nfs/dbraw/zinc/81/14/25/1426811425.db2.gz RSFADBWFUURWBG-QGZVFWFLSA-N 1 1 399.447 3.081 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173655311 1426811598 /nfs/dbraw/zinc/81/15/98/1426811598.db2.gz FZNMNCQBOLMRKZ-SFHVURJKSA-N 1 1 383.448 3.380 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173655311 1426811602 /nfs/dbraw/zinc/81/16/02/1426811602.db2.gz FZNMNCQBOLMRKZ-SFHVURJKSA-N 1 1 383.448 3.380 20 5 GGBDMO O=C(CC[N@H+]1CC[C@@H](COCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173657021 1426812290 /nfs/dbraw/zinc/81/22/90/1426812290.db2.gz ZQDOGPOFSVBPDH-GOSISDBHSA-N 1 1 383.448 3.462 20 5 GGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccccc2Cl)C2CCCC2)c1 ZINC000173664718 1426814200 /nfs/dbraw/zinc/81/42/00/1426814200.db2.gz QBFUOBXATCRVIC-QGZVFWFLSA-N 1 1 378.860 3.250 20 5 GGBDMO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000173694340 1426823623 /nfs/dbraw/zinc/82/36/23/1426823623.db2.gz FXILCVVVZXLVAC-AWEZNQCLSA-N 1 1 387.436 3.114 20 5 GGBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000173694340 1426823625 /nfs/dbraw/zinc/82/36/25/1426823625.db2.gz FXILCVVVZXLVAC-AWEZNQCLSA-N 1 1 387.436 3.114 20 5 GGBDMO COc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000173704351 1426826847 /nfs/dbraw/zinc/82/68/47/1426826847.db2.gz IOLSTFHWCQGNAC-GOSISDBHSA-N 1 1 383.448 3.340 20 5 GGBDMO COc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000173714110 1426829387 /nfs/dbraw/zinc/82/93/87/1426829387.db2.gz CGEVTKRYUGIEHQ-SFHVURJKSA-N 1 1 383.448 3.340 20 5 GGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000173783922 1426850143 /nfs/dbraw/zinc/85/01/43/1426850143.db2.gz PWAOPFNIUPXZAG-GOSISDBHSA-N 1 1 396.491 3.303 20 5 GGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000173783939 1426850329 /nfs/dbraw/zinc/85/03/29/1426850329.db2.gz PWAOPFNIUPXZAG-SFHVURJKSA-N 1 1 396.491 3.303 20 5 GGBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000173899574 1426885027 /nfs/dbraw/zinc/88/50/27/1426885027.db2.gz MAIPCPNCXFTMMN-PZJWPPBQSA-N 1 1 385.464 3.238 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173978208 1426922702 /nfs/dbraw/zinc/92/27/02/1426922702.db2.gz QGLHBYGYHMYMBM-LJQANCHMSA-N 1 1 396.491 3.296 20 5 GGBDMO C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000173994318 1426931585 /nfs/dbraw/zinc/93/15/85/1426931585.db2.gz ITLVULAOCOJFAE-SFHVURJKSA-N 1 1 396.491 3.154 20 5 GGBDMO C[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000173995751 1426932807 /nfs/dbraw/zinc/93/28/07/1426932807.db2.gz KBEXPMUADMAJBJ-QGZVFWFLSA-N 1 1 382.464 3.130 20 5 GGBDMO CN(Cc1cccs1)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241523 1427065644 /nfs/dbraw/zinc/06/56/44/1427065644.db2.gz HYQQPYBMZGHTCK-UHFFFAOYSA-N 1 1 389.477 3.158 20 5 GGBDMO Cc1ccccc1CCNC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242566 1427066240 /nfs/dbraw/zinc/06/62/40/1427066240.db2.gz UBISFDQXIWMSCR-UHFFFAOYSA-N 1 1 397.475 3.105 20 5 GGBDMO CN(Cc1ccccc1)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247312 1427068305 /nfs/dbraw/zinc/06/83/05/1427068305.db2.gz GZEYOKXWVONQCW-UHFFFAOYSA-N 1 1 383.448 3.097 20 5 GGBDMO O=C1[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1c1ccccc1 ZINC000174247661 1427069008 /nfs/dbraw/zinc/06/90/08/1427069008.db2.gz IALVGXLZFPJIHC-HXUWFJFHSA-N 1 1 381.432 3.244 20 5 GGBDMO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)NCC1CCCCC1 ZINC000174249210 1427069429 /nfs/dbraw/zinc/06/94/29/1427069429.db2.gz CVZAULKIWJPSAQ-UHFFFAOYSA-N 1 1 375.469 3.135 20 5 GGBDMO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403618 1427142319 /nfs/dbraw/zinc/14/23/19/1427142319.db2.gz RXWWSGCNTIEYOZ-GOSISDBHSA-N 1 1 397.475 3.415 20 5 GGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000174599160 1427250177 /nfs/dbraw/zinc/25/01/77/1427250177.db2.gz LFFMTLKZLXCERJ-MRXNPFEDSA-N 1 1 384.436 3.028 20 5 GGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)c3c(F)cccc3F)CC2)cc1 ZINC000174802253 1427376881 /nfs/dbraw/zinc/37/68/81/1427376881.db2.gz MLCMOALEZPKTFP-GOSISDBHSA-N 1 1 378.375 3.450 20 5 GGBDMO Cc1cc(N2CCC(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000174885617 1427427269 /nfs/dbraw/zinc/42/72/69/1427427269.db2.gz MHXAUOUBSFYBPD-UHFFFAOYSA-N 1 1 389.843 3.054 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174931772 1427451111 /nfs/dbraw/zinc/45/11/11/1427451111.db2.gz UHEXRSCMMBMXRK-QGZVFWFLSA-N 1 1 383.448 3.198 20 5 GGBDMO COc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000174943652 1427458538 /nfs/dbraw/zinc/45/85/38/1427458538.db2.gz CNMKIZLPHDNOJZ-KRWDZBQOSA-N 1 1 383.448 3.198 20 5 GGBDMO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174946654 1427459760 /nfs/dbraw/zinc/45/97/60/1427459760.db2.gz KBHCTBMTYVRHBU-OAQYLSRUSA-N 1 1 396.491 3.154 20 5 GGBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174945818 1427460091 /nfs/dbraw/zinc/46/00/91/1427460091.db2.gz AHNKYZNXSGKNGQ-GOSISDBHSA-N 1 1 396.491 3.255 20 5 GGBDMO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174946673 1427461018 /nfs/dbraw/zinc/46/10/18/1427461018.db2.gz KBHCTBMTYVRHBU-NRFANRHFSA-N 1 1 396.491 3.154 20 5 GGBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000174955871 1427466042 /nfs/dbraw/zinc/46/60/42/1427466042.db2.gz ONRADJXWIKWTKL-CYBMUJFWSA-N 1 1 387.427 3.369 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000175053784 1427521275 /nfs/dbraw/zinc/52/12/75/1427521275.db2.gz ZYCOMETVWZTJLM-UHFFFAOYSA-N 1 1 383.448 3.388 20 5 GGBDMO C[N@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000175064344 1427527189 /nfs/dbraw/zinc/52/71/89/1427527189.db2.gz BVIPBDNHPIXWOQ-UHFFFAOYSA-N 1 1 380.876 3.137 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000175108557 1427550664 /nfs/dbraw/zinc/55/06/64/1427550664.db2.gz SKYKLDJBWNILDY-UHFFFAOYSA-N 1 1 389.496 3.464 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000175125717 1427560278 /nfs/dbraw/zinc/56/02/78/1427560278.db2.gz UZPQQTMVNVJRMC-UHFFFAOYSA-N 1 1 389.477 3.449 20 5 GGBDMO C[C@@H]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000175172236 1427581121 /nfs/dbraw/zinc/58/11/21/1427581121.db2.gz KODJADVFATWSMB-QGZVFWFLSA-N 1 1 382.464 3.401 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000175228566 1427614291 /nfs/dbraw/zinc/61/42/91/1427614291.db2.gz QOFSWFDPTVMRBJ-HNNXBMFYSA-N 1 1 377.485 3.368 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000175228566 1427614298 /nfs/dbraw/zinc/61/42/98/1427614298.db2.gz QOFSWFDPTVMRBJ-HNNXBMFYSA-N 1 1 377.485 3.368 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000175354186 1427700779 /nfs/dbraw/zinc/70/07/79/1427700779.db2.gz KPHFTWGHBLIURW-VQIMIIECSA-N 1 1 382.464 3.447 20 5 GGBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000175411610 1427739793 /nfs/dbraw/zinc/73/97/93/1427739793.db2.gz OMKYZVHTTNKVRJ-LOKFHWFJSA-N 1 1 392.477 3.413 20 5 GGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000175416495 1427742776 /nfs/dbraw/zinc/74/27/76/1427742776.db2.gz UDSAKIMECSGAIC-HNNXBMFYSA-N 1 1 389.402 3.467 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000175426547 1427748124 /nfs/dbraw/zinc/74/81/24/1427748124.db2.gz OKMXMVMRXTVRHU-LPHOPBHVSA-N 1 1 382.464 3.447 20 5 GGBDMO C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000175426489 1427748343 /nfs/dbraw/zinc/74/83/43/1427748343.db2.gz OKMXMVMRXTVRHU-VQIMIIECSA-N 1 1 382.464 3.447 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000175456740 1427765116 /nfs/dbraw/zinc/76/51/16/1427765116.db2.gz WELHPSFXMHGVGF-APWZRJJASA-N 1 1 382.464 3.447 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000175459727 1427766666 /nfs/dbraw/zinc/76/66/66/1427766666.db2.gz HJXMIWCPUWMKSM-HRAATJIYSA-N 1 1 397.475 3.278 20 5 GGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(-c2ccccc2)c1 ZINC000175510550 1427798121 /nfs/dbraw/zinc/79/81/21/1427798121.db2.gz OLKMBVOBASTTHC-UHFFFAOYSA-N 1 1 379.420 3.241 20 5 GGBDMO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000175932752 1427981153 /nfs/dbraw/zinc/98/11/53/1427981153.db2.gz DTXDLWMBBWVWCF-CYBMUJFWSA-N 1 1 381.860 3.012 20 5 GGBDMO C[N@H+]1CCCN(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000175933368 1427981815 /nfs/dbraw/zinc/98/18/15/1427981815.db2.gz CTSIMGMDOIRRDF-UHFFFAOYSA-N 1 1 382.464 3.308 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000175962659 1428000816 /nfs/dbraw/zinc/00/08/16/1428000816.db2.gz XCOHCILDMJQVBO-AWEZNQCLSA-N 1 1 388.493 3.383 20 5 GGBDMO Cc1ccc([C@H](C)NC(=O)NCC[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000175962659 1428000821 /nfs/dbraw/zinc/00/08/21/1428000821.db2.gz XCOHCILDMJQVBO-AWEZNQCLSA-N 1 1 388.493 3.383 20 5 GGBDMO C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000175977042 1428009062 /nfs/dbraw/zinc/00/90/62/1428009062.db2.gz LYYMGQDFKDOYLL-QGZVFWFLSA-N 1 1 382.464 3.401 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176078747 1428071397 /nfs/dbraw/zinc/07/13/97/1428071397.db2.gz GENQPXHZNYATHK-GOSISDBHSA-N 1 1 387.411 3.023 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176078747 1428071408 /nfs/dbraw/zinc/07/14/08/1428071408.db2.gz GENQPXHZNYATHK-GOSISDBHSA-N 1 1 387.411 3.023 20 5 GGBDMO C[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176136481 1428109946 /nfs/dbraw/zinc/10/99/46/1428109946.db2.gz MFIBIESFJBOQHQ-WMZOPIPTSA-N 1 1 383.448 3.143 20 5 GGBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000176224246 1428177027 /nfs/dbraw/zinc/17/70/27/1428177027.db2.gz MSKAOPPPEGDOOQ-KRWDZBQOSA-N 1 1 385.439 3.337 20 5 GGBDMO COc1cc(C[N@@H+](C)CCC2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180186384 1429791029 /nfs/dbraw/zinc/79/10/29/1429791029.db2.gz DMEWUGANVFJUJB-UHFFFAOYSA-N 1 1 388.411 3.496 20 5 GGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180225118 1429807300 /nfs/dbraw/zinc/80/73/00/1429807300.db2.gz PKAQDGYNGJJLOO-ZDUSSCGKSA-N 1 1 387.427 3.021 20 5 GGBDMO COc1cc(C[N@H+](C)CCc2nccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180243915 1429813421 /nfs/dbraw/zinc/81/34/21/1429813421.db2.gz LOGDKUVEEZZIIR-UHFFFAOYSA-N 1 1 387.408 3.378 20 5 GGBDMO COc1cc(C[N@@H+](C)CCc2nccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180243915 1429813423 /nfs/dbraw/zinc/81/34/23/1429813423.db2.gz LOGDKUVEEZZIIR-UHFFFAOYSA-N 1 1 387.408 3.378 20 5 GGBDMO C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000180399271 1429856915 /nfs/dbraw/zinc/85/69/15/1429856915.db2.gz KRCHYAGLCQXYFI-FUHIMQAGSA-N 1 1 396.491 3.025 20 5 GGBDMO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180408239 1429860198 /nfs/dbraw/zinc/86/01/98/1429860198.db2.gz XISYSCHLSCIVRP-NSHDSACASA-N 1 1 391.449 3.349 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000180419233 1429863928 /nfs/dbraw/zinc/86/39/28/1429863928.db2.gz OWNWXSKHHBUTIO-UHFFFAOYSA-N 1 1 384.480 3.342 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000180419233 1429863929 /nfs/dbraw/zinc/86/39/29/1429863929.db2.gz OWNWXSKHHBUTIO-UHFFFAOYSA-N 1 1 384.480 3.342 20 5 GGBDMO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180433801 1429868598 /nfs/dbraw/zinc/86/85/98/1429868598.db2.gz GMEQSFJCZJLVGZ-LBPRGKRZSA-N 1 1 391.449 3.431 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000180495381 1429882510 /nfs/dbraw/zinc/88/25/10/1429882510.db2.gz IGMNPXTXNZUODF-UHFFFAOYSA-N 1 1 397.353 3.481 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000180502074 1429883990 /nfs/dbraw/zinc/88/39/90/1429883990.db2.gz KOLWZBQAFPYPJF-INIZCTEOSA-N 1 1 387.440 3.109 20 5 GGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180508104 1429885475 /nfs/dbraw/zinc/88/54/75/1429885475.db2.gz IRVWRUFULVPZLM-ZDUSSCGKSA-N 1 1 385.411 3.438 20 5 GGBDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180526077 1429890036 /nfs/dbraw/zinc/89/00/36/1429890036.db2.gz JRHWRNBXTMOGSV-LBPRGKRZSA-N 1 1 397.884 3.349 20 5 GGBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000180531299 1429891414 /nfs/dbraw/zinc/89/14/14/1429891414.db2.gz REXRAIRGCUFBEF-FZMZJTMJSA-N 1 1 392.374 3.137 20 5 GGBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000180537380 1429892816 /nfs/dbraw/zinc/89/28/16/1429892816.db2.gz PSKHGFBMYJHAGW-UHFFFAOYSA-N 1 1 380.408 3.193 20 5 GGBDMO Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1[N+](=O)[O-] ZINC000180714363 1429995589 /nfs/dbraw/zinc/99/55/89/1429995589.db2.gz MSUUJRGVXOHJHB-UHFFFAOYSA-N 1 1 375.450 3.428 20 5 GGBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180810198 1430053871 /nfs/dbraw/zinc/05/38/71/1430053871.db2.gz XAOPGJHXZMXDKT-UHFFFAOYSA-N 1 1 394.431 3.332 20 5 GGBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180810198 1430053872 /nfs/dbraw/zinc/05/38/72/1430053872.db2.gz XAOPGJHXZMXDKT-UHFFFAOYSA-N 1 1 394.431 3.332 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180850558 1430069577 /nfs/dbraw/zinc/06/95/77/1430069577.db2.gz FWJSPOOFNWWFMJ-DOTOQJQBSA-N 1 1 386.448 3.385 20 5 GGBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180933284 1430122033 /nfs/dbraw/zinc/12/20/33/1430122033.db2.gz SAJSITUVZVLSEN-HNNXBMFYSA-N 1 1 382.464 3.481 20 5 GGBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180933140 1430122282 /nfs/dbraw/zinc/12/22/82/1430122282.db2.gz KKUBTDKZSIZOQW-HNNXBMFYSA-N 1 1 382.464 3.339 20 5 GGBDMO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc1[N+](=O)[O-] ZINC000180947896 1430130150 /nfs/dbraw/zinc/13/01/50/1430130150.db2.gz IVXWTAGAGZZSEX-INIZCTEOSA-N 1 1 387.461 3.077 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000180951272 1430131339 /nfs/dbraw/zinc/13/13/39/1430131339.db2.gz UOSQOIFLUMEUEK-KRWDZBQOSA-N 1 1 387.461 3.077 20 5 GGBDMO CC(=O)c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000181135667 1430222272 /nfs/dbraw/zinc/22/22/72/1430222272.db2.gz SCSSPXGIORLYLY-IBGZPJMESA-N 1 1 383.448 3.366 20 5 GGBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000181215313 1430249428 /nfs/dbraw/zinc/24/94/28/1430249428.db2.gz RNJQSIKICKURPN-MJGOQNOKSA-N 1 1 394.475 3.304 20 5 GGBDMO C[C@@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000181305448 1430268736 /nfs/dbraw/zinc/26/87/36/1430268736.db2.gz QUDNLIZJDFYMBA-PBHICJAKSA-N 1 1 397.431 3.106 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000181411836 1430291078 /nfs/dbraw/zinc/29/10/78/1430291078.db2.gz RUDHRPAKWHPCEW-HJNYFJLDSA-N 1 1 387.524 3.273 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000181411770 1430291250 /nfs/dbraw/zinc/29/12/50/1430291250.db2.gz RUDHRPAKWHPCEW-NNWRFLSQSA-N 1 1 387.524 3.273 20 5 GGBDMO COC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(F)c(F)c1 ZINC000181427675 1430296395 /nfs/dbraw/zinc/29/63/95/1430296395.db2.gz VORJHEIIGGLAIR-KRWDZBQOSA-N 1 1 379.363 3.097 20 5 GGBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(F)c(F)c1 ZINC000181427724 1430296422 /nfs/dbraw/zinc/29/64/22/1430296422.db2.gz BLQAEHONWFQXMR-KRWDZBQOSA-N 1 1 379.363 3.097 20 5 GGBDMO C[N@H+](Cc1ccccc1N1CCCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181499363 1430311116 /nfs/dbraw/zinc/31/11/16/1430311116.db2.gz UDUAYRIXNBEXSQ-SFHVURJKSA-N 1 1 385.464 3.067 20 5 GGBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000181560020 1430320426 /nfs/dbraw/zinc/32/04/26/1430320426.db2.gz MEZHKLQOYINHDS-GOSISDBHSA-N 1 1 383.448 3.175 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000181560020 1430320430 /nfs/dbraw/zinc/32/04/30/1430320430.db2.gz MEZHKLQOYINHDS-GOSISDBHSA-N 1 1 383.448 3.175 20 5 GGBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000181570065 1430321560 /nfs/dbraw/zinc/32/15/60/1430321560.db2.gz BCVZTQJMVZBREW-GFCCVEGCSA-N 1 1 387.411 3.472 20 5 GGBDMO C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181634151 1430331545 /nfs/dbraw/zinc/33/15/45/1430331545.db2.gz KBDMEZOUWSKBBN-JKSUJKDBSA-N 1 1 397.479 3.163 20 5 GGBDMO C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181634169 1430331578 /nfs/dbraw/zinc/33/15/78/1430331578.db2.gz KBDMEZOUWSKBBN-HZPDHXFCSA-N 1 1 397.479 3.163 20 5 GGBDMO C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181633967 1430331665 /nfs/dbraw/zinc/33/16/65/1430331665.db2.gz BLOGQIMDTJNTIK-HZPDHXFCSA-N 1 1 397.479 3.163 20 5 GGBDMO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181653748 1430335739 /nfs/dbraw/zinc/33/57/39/1430335739.db2.gz WHDMYCGIFAXGNK-HUUCEWRRSA-N 1 1 377.510 3.456 20 5 GGBDMO C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181654985 1430335977 /nfs/dbraw/zinc/33/59/77/1430335977.db2.gz DTWZJWCXVUPQSE-JKSUJKDBSA-N 1 1 397.479 3.163 20 5 GGBDMO C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181670944 1430338934 /nfs/dbraw/zinc/33/89/34/1430338934.db2.gz MLTZHFALBYQXAU-HOTGVXAUSA-N 1 1 397.479 3.163 20 5 GGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000181683376 1430341207 /nfs/dbraw/zinc/34/12/07/1430341207.db2.gz AUFRNWJBEZQIBE-MRXNPFEDSA-N 1 1 395.525 3.062 20 5 GGBDMO C[N@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C2(CCCCC2)C1 ZINC000181734623 1430350071 /nfs/dbraw/zinc/35/00/71/1430350071.db2.gz NIMMGBNEFUUHAI-UHFFFAOYSA-N 1 1 378.448 3.013 20 5 GGBDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nnc(CC(C)C)s2)cc1[N+](=O)[O-] ZINC000181825458 1430367995 /nfs/dbraw/zinc/36/79/95/1430367995.db2.gz DXMIUUHHPFTJJT-GFCCVEGCSA-N 1 1 377.470 3.243 20 5 GGBDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000181829694 1430368997 /nfs/dbraw/zinc/36/89/97/1430368997.db2.gz CJVQLWNIQKBEQC-LLVKDONJSA-N 1 1 377.470 3.342 20 5 GGBDMO Cc1ccc([C@H]2CSCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000181890996 1430378573 /nfs/dbraw/zinc/37/85/73/1430378573.db2.gz IRSPJLDXGNEJQX-PKOBYXMFSA-N 1 1 388.489 3.433 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000181925103 1430384485 /nfs/dbraw/zinc/38/44/85/1430384485.db2.gz UGLUEVAZAAFCSO-SJORKVTESA-N 1 1 388.489 3.449 20 5 GGBDMO CCOCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182054428 1430402660 /nfs/dbraw/zinc/40/26/60/1430402660.db2.gz XQPPFZLLSMHXMN-UHFFFAOYSA-N 1 1 383.876 3.003 20 5 GGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182065426 1430404692 /nfs/dbraw/zinc/40/46/92/1430404692.db2.gz XCORFPYEGCVWRL-MRXNPFEDSA-N 1 1 393.447 3.031 20 5 GGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182096135 1430411053 /nfs/dbraw/zinc/41/10/53/1430411053.db2.gz BOWMNHCICQDENW-MRXNPFEDSA-N 1 1 393.447 3.031 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182108079 1430413198 /nfs/dbraw/zinc/41/31/98/1430413198.db2.gz JZKBCBFXILZMGU-OAHLLOKOSA-N 1 1 397.431 3.060 20 5 GGBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000182205938 1430429941 /nfs/dbraw/zinc/42/99/41/1430429941.db2.gz VGMINFQVEUJBMY-XJKSGUPXSA-N 1 1 391.493 3.363 20 5 GGBDMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000182233072 1430434321 /nfs/dbraw/zinc/43/43/21/1430434321.db2.gz UCDAVYQRPBQNMZ-JTQLQIEISA-N 1 1 378.429 3.311 20 5 GGBDMO CC[N@H+]1CCc2nc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000182233072 1430434324 /nfs/dbraw/zinc/43/43/24/1430434324.db2.gz UCDAVYQRPBQNMZ-JTQLQIEISA-N 1 1 378.429 3.311 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000182240469 1430435294 /nfs/dbraw/zinc/43/52/94/1430435294.db2.gz UNZSRMYIEGTGEX-CABCVRRESA-N 1 1 392.839 3.141 20 5 GGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000182240489 1430435347 /nfs/dbraw/zinc/43/53/47/1430435347.db2.gz UNZSRMYIEGTGEX-GJZGRUSLSA-N 1 1 392.839 3.141 20 5 GGBDMO C[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000182242695 1430435936 /nfs/dbraw/zinc/43/59/36/1430435936.db2.gz UUCPBXKOKOCQBY-OAHLLOKOSA-N 1 1 397.431 3.060 20 5 GGBDMO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000182428587 1430466441 /nfs/dbraw/zinc/46/64/41/1430466441.db2.gz MCLDCXAECLNXQG-KRWDZBQOSA-N 1 1 384.404 3.388 20 5 GGBDMO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000182431481 1430466752 /nfs/dbraw/zinc/46/67/52/1430466752.db2.gz VDFDNGUUVCPUBH-KRWDZBQOSA-N 1 1 384.404 3.388 20 5 GGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000182435674 1430467779 /nfs/dbraw/zinc/46/77/79/1430467779.db2.gz YFMILTRTFJIGBQ-UHFFFAOYSA-N 1 1 396.415 3.316 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182548803 1430488932 /nfs/dbraw/zinc/48/89/32/1430488932.db2.gz VPTNIECTCSTTMJ-HUUCEWRRSA-N 1 1 390.484 3.056 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182579291 1430496856 /nfs/dbraw/zinc/49/68/56/1430496856.db2.gz OIGZGTCNIVGZMH-CYBMUJFWSA-N 1 1 385.411 3.294 20 5 GGBDMO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000182582083 1430497173 /nfs/dbraw/zinc/49/71/73/1430497173.db2.gz ZKQKWCLKWVBTPF-BLLLJJGKSA-N 1 1 395.406 3.285 20 5 GGBDMO C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCc2sccc2C1 ZINC000182631650 1430505701 /nfs/dbraw/zinc/50/57/01/1430505701.db2.gz IWCJHYQOLQFOAB-STQMWFEESA-N 1 1 391.468 3.462 20 5 GGBDMO C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2sccc2C1 ZINC000182631650 1430505703 /nfs/dbraw/zinc/50/57/03/1430505703.db2.gz IWCJHYQOLQFOAB-STQMWFEESA-N 1 1 391.468 3.462 20 5 GGBDMO COc1cc(C[N@H+](C)CCc2ccccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182663668 1430512966 /nfs/dbraw/zinc/51/29/66/1430512966.db2.gz IAKQIGWFRXVUTF-UHFFFAOYSA-N 1 1 381.379 3.317 20 5 GGBDMO COc1cc(C[N@@H+](C)CCc2ccccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182663668 1430512969 /nfs/dbraw/zinc/51/29/69/1430512969.db2.gz IAKQIGWFRXVUTF-UHFFFAOYSA-N 1 1 381.379 3.317 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182867446 1430557289 /nfs/dbraw/zinc/55/72/89/1430557289.db2.gz WTBNVXYQYYXQHA-KGLIPLIRSA-N 1 1 376.457 3.378 20 5 GGBDMO Cc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000182876096 1430559486 /nfs/dbraw/zinc/55/94/86/1430559486.db2.gz OIKVGFFNAJWQSA-IBGZPJMESA-N 1 1 398.463 3.182 20 5 GGBDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000183001000 1430589323 /nfs/dbraw/zinc/58/93/23/1430589323.db2.gz LUCWSWLQTPHBFI-GFCCVEGCSA-N 1 1 397.410 3.178 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000183032265 1430597121 /nfs/dbraw/zinc/59/71/21/1430597121.db2.gz FKETYPYFJGMIMR-HZPDHXFCSA-N 1 1 395.525 3.143 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183034572 1430597340 /nfs/dbraw/zinc/59/73/40/1430597340.db2.gz CTOLNYVIZPPXEG-HZPDHXFCSA-N 1 1 395.525 3.143 20 5 GGBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183033461 1430597448 /nfs/dbraw/zinc/59/74/48/1430597448.db2.gz SPUXYZIGWOFTBO-GOEBONIOSA-N 1 1 395.525 3.089 20 5 GGBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183034590 1430597463 /nfs/dbraw/zinc/59/74/63/1430597463.db2.gz CTOLNYVIZPPXEG-HOTGVXAUSA-N 1 1 395.525 3.143 20 5 GGBDMO Cn1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C2CCCCC2)n1 ZINC000183087365 1430609871 /nfs/dbraw/zinc/60/98/71/1430609871.db2.gz TZZPHVPRLRPBHW-QGZVFWFLSA-N 1 1 384.484 3.457 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4cccc(F)c4)C3)o2)cc1 ZINC000183366737 1430691492 /nfs/dbraw/zinc/69/14/92/1430691492.db2.gz ILRPQRFPDDLVNF-QGZVFWFLSA-N 1 1 384.367 3.437 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4cccc(F)c4)C3)o2)cc1 ZINC000183366737 1430691498 /nfs/dbraw/zinc/69/14/98/1430691498.db2.gz ILRPQRFPDDLVNF-QGZVFWFLSA-N 1 1 384.367 3.437 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183511794 1430731730 /nfs/dbraw/zinc/73/17/30/1430731730.db2.gz UHVQTOINOOIASX-MRXNPFEDSA-N 1 1 376.438 3.048 20 5 GGBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 ZINC000183552906 1430741064 /nfs/dbraw/zinc/74/10/64/1430741064.db2.gz NGASGHUVFQTNSI-QGZVFWFLSA-N 1 1 390.465 3.438 20 5 GGBDMO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000183589800 1430748783 /nfs/dbraw/zinc/74/87/83/1430748783.db2.gz HZHUDTGWTPKMBJ-UHFFFAOYSA-N 1 1 391.378 3.054 20 5 GGBDMO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000183670465 1430768069 /nfs/dbraw/zinc/76/80/69/1430768069.db2.gz JSXXWYIAXQPPOR-PMACEKPBSA-N 1 1 388.512 3.004 20 5 GGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183905755 1430811380 /nfs/dbraw/zinc/81/13/80/1430811380.db2.gz PUMAILXHBUANNX-OLZOCXBDSA-N 1 1 397.859 3.050 20 5 GGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183905755 1430811381 /nfs/dbraw/zinc/81/13/81/1430811381.db2.gz PUMAILXHBUANNX-OLZOCXBDSA-N 1 1 397.859 3.050 20 5 GGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183975656 1430821414 /nfs/dbraw/zinc/82/14/14/1430821414.db2.gz BHLXZILBPWJHBG-GFCCVEGCSA-N 1 1 378.454 3.124 20 5 GGBDMO COc1cc(C[NH+]2CCC(C)(CO)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000184073740 1430837604 /nfs/dbraw/zinc/83/76/04/1430837604.db2.gz OJQYGTSERPDLNA-UHFFFAOYSA-N 1 1 392.374 3.139 20 5 GGBDMO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184182189 1430852076 /nfs/dbraw/zinc/85/20/76/1430852076.db2.gz AZLLHPPRAPJZKJ-KRWDZBQOSA-N 1 1 393.447 3.208 20 5 GGBDMO CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184182189 1430852078 /nfs/dbraw/zinc/85/20/78/1430852078.db2.gz AZLLHPPRAPJZKJ-KRWDZBQOSA-N 1 1 393.447 3.208 20 5 GGBDMO CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184182189 1430852080 /nfs/dbraw/zinc/85/20/80/1430852080.db2.gz AZLLHPPRAPJZKJ-KRWDZBQOSA-N 1 1 393.447 3.208 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c([N+](=O)[O-])cc1F ZINC000184219221 1430858054 /nfs/dbraw/zinc/85/80/54/1430858054.db2.gz YJINWMQMHHXRNS-ZDUSSCGKSA-N 1 1 385.399 3.165 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c([N+](=O)[O-])cc1F ZINC000184219221 1430858057 /nfs/dbraw/zinc/85/80/57/1430858057.db2.gz YJINWMQMHHXRNS-ZDUSSCGKSA-N 1 1 385.399 3.165 20 5 GGBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000184218844 1430858086 /nfs/dbraw/zinc/85/80/86/1430858086.db2.gz ALMVGGRLJYYSBX-UHFFFAOYSA-N 1 1 390.528 3.038 20 5 GGBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184251777 1430862463 /nfs/dbraw/zinc/86/24/63/1430862463.db2.gz GJXLMQSTMBOAFL-ZIAGYGMSSA-N 1 1 381.448 3.259 20 5 GGBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184251777 1430862464 /nfs/dbraw/zinc/86/24/64/1430862464.db2.gz GJXLMQSTMBOAFL-ZIAGYGMSSA-N 1 1 381.448 3.259 20 5 GGBDMO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000184265026 1430864780 /nfs/dbraw/zinc/86/47/80/1430864780.db2.gz RCDUOVOGFLQUHZ-KPZWWZAWSA-N 1 1 376.384 3.383 20 5 GGBDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184394986 1430882724 /nfs/dbraw/zinc/88/27/24/1430882724.db2.gz NSNHNDNMAGBLBV-YPMHNXCESA-N 1 1 378.454 3.436 20 5 GGBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184418717 1430885716 /nfs/dbraw/zinc/88/57/16/1430885716.db2.gz FCVYSVPTKBWAKB-ZDUSSCGKSA-N 1 1 378.454 3.438 20 5 GGBDMO O=C(NCC[N@@H+]1CCc2sccc2C1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184481498 1430892827 /nfs/dbraw/zinc/89/28/27/1430892827.db2.gz LUOLZQVTCXJPKA-UHFFFAOYSA-N 1 1 394.884 3.167 20 5 GGBDMO O=C(NCC[N@H+]1CCc2sccc2C1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184481498 1430892829 /nfs/dbraw/zinc/89/28/29/1430892829.db2.gz LUOLZQVTCXJPKA-UHFFFAOYSA-N 1 1 394.884 3.167 20 5 GGBDMO C[C@H](c1nccs1)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184612377 1430919480 /nfs/dbraw/zinc/91/94/80/1430919480.db2.gz FFWGDHBHYPLGPE-OAHLLOKOSA-N 1 1 376.482 3.199 20 5 GGBDMO CCc1nc([C@H](C)[NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000184698781 1430945431 /nfs/dbraw/zinc/94/54/31/1430945431.db2.gz AILLBVAPKAPDHZ-NSHDSACASA-N 1 1 378.454 3.302 20 5 GGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000184705165 1430947595 /nfs/dbraw/zinc/94/75/95/1430947595.db2.gz FJBSQCVUEMKPRN-MRXNPFEDSA-N 1 1 387.505 3.400 20 5 GGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000184705165 1430947612 /nfs/dbraw/zinc/94/76/12/1430947612.db2.gz FJBSQCVUEMKPRN-MRXNPFEDSA-N 1 1 387.505 3.400 20 5 GGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000184843003 1431000457 /nfs/dbraw/zinc/00/04/57/1431000457.db2.gz LDKOEFYSHKQZST-ZIFCJYIRSA-N 1 1 391.512 3.169 20 5 GGBDMO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000184906098 1431018333 /nfs/dbraw/zinc/01/83/33/1431018333.db2.gz ICMVQUWMQBVPNG-ZBFHGGJFSA-N 1 1 383.404 3.340 20 5 GGBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185077105 1431055340 /nfs/dbraw/zinc/05/53/40/1431055340.db2.gz UOHFGGHSFHMEIU-GFCCVEGCSA-N 1 1 399.382 3.463 20 5 GGBDMO COc1ccc(NC(=O)C[NH2+][C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000185277907 1431098462 /nfs/dbraw/zinc/09/84/62/1431098462.db2.gz MMURYVQAGMCXPB-INIZCTEOSA-N 1 1 376.438 3.048 20 5 GGBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])c1 ZINC000185336071 1431118818 /nfs/dbraw/zinc/11/88/18/1431118818.db2.gz YISDRWWAAIUAAZ-MEDUHNTESA-N 1 1 390.465 3.436 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185371586 1431128470 /nfs/dbraw/zinc/12/84/70/1431128470.db2.gz NKIHNJNFHORUMO-ZBEGNZNMSA-N 1 1 390.465 3.436 20 5 GGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185439643 1431145760 /nfs/dbraw/zinc/14/57/60/1431145760.db2.gz YFKDHZDKIIJKIF-LSDHHAIUSA-N 1 1 388.493 3.362 20 5 GGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185448580 1431147899 /nfs/dbraw/zinc/14/78/99/1431147899.db2.gz QORSTAFUSCMJPG-HNNXBMFYSA-N 1 1 388.493 3.364 20 5 GGBDMO C[C@H](c1ccsc1)[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185448599 1431147918 /nfs/dbraw/zinc/14/79/18/1431147918.db2.gz QORSTAFUSCMJPG-OAHLLOKOSA-N 1 1 388.493 3.364 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(O)(c4ccccc4)CC3)n2)cc1 ZINC000185518630 1431163279 /nfs/dbraw/zinc/16/32/79/1431163279.db2.gz VTNVWWAOVWELAK-UHFFFAOYSA-N 1 1 380.404 3.128 20 5 GGBDMO C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185689806 1431207097 /nfs/dbraw/zinc/20/70/97/1431207097.db2.gz WUILGIXWGOFZKM-ZBFHGGJFSA-N 1 1 385.468 3.387 20 5 GGBDMO COc1ccc(OCCN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000185695233 1431208381 /nfs/dbraw/zinc/20/83/81/1431208381.db2.gz REJGYLCWEAXYPN-CVEARBPZSA-N 1 1 377.485 3.225 20 5 GGBDMO COc1ccc(OCCN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000185695233 1431208386 /nfs/dbraw/zinc/20/83/86/1431208386.db2.gz REJGYLCWEAXYPN-CVEARBPZSA-N 1 1 377.485 3.225 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000185729197 1431217401 /nfs/dbraw/zinc/21/74/01/1431217401.db2.gz YPINAUVXJACSLP-IXDOHACOSA-N 1 1 388.512 3.473 20 5 GGBDMO C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754259 1431225533 /nfs/dbraw/zinc/22/55/33/1431225533.db2.gz GTKGXOOJSMHCLI-GOEBONIOSA-N 1 1 385.468 3.387 20 5 GGBDMO CCOC(=O)N1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000185771130 1431230906 /nfs/dbraw/zinc/23/09/06/1431230906.db2.gz VASNWXGDWNKQNZ-ZDUSSCGKSA-N 1 1 376.438 3.039 20 5 GGBDMO C[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000185894270 1431266851 /nfs/dbraw/zinc/26/68/51/1431266851.db2.gz QMNUCOAVUUNCNS-ROUUACIJSA-N 1 1 388.855 3.493 20 5 GGBDMO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186298196 1431374895 /nfs/dbraw/zinc/37/48/95/1431374895.db2.gz ZXRTUAVRPUUUJT-GOSISDBHSA-N 1 1 383.448 3.340 20 5 GGBDMO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186303896 1431376653 /nfs/dbraw/zinc/37/66/53/1431376653.db2.gz ARHLHFILNDGOSM-QGZVFWFLSA-N 1 1 397.431 3.060 20 5 GGBDMO CNC(=O)c1ccc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000186417126 1431410563 /nfs/dbraw/zinc/41/05/63/1431410563.db2.gz YDOPJZYPYOJASN-FQEVSTJZSA-N 1 1 382.464 3.277 20 5 GGBDMO Cn1cc(C[N@H+]2CCSC3(CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186481804 1431432002 /nfs/dbraw/zinc/43/20/02/1431432002.db2.gz YXHGQLVHLMWOSK-UHFFFAOYSA-N 1 1 388.493 3.093 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186599020 1431464716 /nfs/dbraw/zinc/46/47/16/1431464716.db2.gz INGSBSSHTURLLL-OAQYLSRUSA-N 1 1 397.431 3.063 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186616786 1431470364 /nfs/dbraw/zinc/47/03/64/1431470364.db2.gz DVSUHWXNVASROH-FQEVSTJZSA-N 1 1 378.388 3.276 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186616786 1431470369 /nfs/dbraw/zinc/47/03/69/1431470369.db2.gz DVSUHWXNVASROH-FQEVSTJZSA-N 1 1 378.388 3.276 20 5 GGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186635463 1431475988 /nfs/dbraw/zinc/47/59/88/1431475988.db2.gz YRHWJEZDWMHFSO-OAQYLSRUSA-N 1 1 381.432 3.363 20 5 GGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186838048 1431534232 /nfs/dbraw/zinc/53/42/32/1431534232.db2.gz RHADDJWTEJMVFN-ZDUSSCGKSA-N 1 1 390.465 3.304 20 5 GGBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1Cc1ccccc1 ZINC000187359541 1431707933 /nfs/dbraw/zinc/70/79/33/1431707933.db2.gz ONGULKCDTUZNHO-DOTOQJQBSA-N 1 1 382.464 3.302 20 5 GGBDMO COc1cc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000187612772 1431779255 /nfs/dbraw/zinc/77/92/55/1431779255.db2.gz HBAOXQXGGMZALP-LJQANCHMSA-N 1 1 383.448 3.244 20 5 GGBDMO CCC(CC)[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000188032078 1431838065 /nfs/dbraw/zinc/83/80/65/1431838065.db2.gz SSBXPVOALFAURJ-INIZCTEOSA-N 1 1 395.525 3.184 20 5 GGBDMO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188288566 1431870075 /nfs/dbraw/zinc/87/00/75/1431870075.db2.gz BUJXTBCOYZRMKL-FQEVSTJZSA-N 1 1 389.883 3.317 20 5 GGBDMO Cc1c(NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000188370100 1431877982 /nfs/dbraw/zinc/87/79/82/1431877982.db2.gz JBTWBNMOMOCINJ-NRFANRHFSA-N 1 1 398.463 3.004 20 5 GGBDMO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc([N+](=O)[O-])c1C ZINC000188428319 1431883508 /nfs/dbraw/zinc/88/35/08/1431883508.db2.gz FLKRVAKGQWCPFE-LBPRGKRZSA-N 1 1 389.477 3.150 20 5 GGBDMO COc1cc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc([N+](=O)[O-])c1C ZINC000188428319 1431883509 /nfs/dbraw/zinc/88/35/09/1431883509.db2.gz FLKRVAKGQWCPFE-LBPRGKRZSA-N 1 1 389.477 3.150 20 5 GGBDMO O=C(CCN1CCC[N@H+](C2CCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189029342 1432030154 /nfs/dbraw/zinc/03/01/54/1432030154.db2.gz BEGNZNLISCRRRP-UHFFFAOYSA-N 1 1 378.448 3.013 20 5 GGBDMO CS(=O)(=O)c1ccc(NCCNc2cc[nH+]c3ccsc32)c([N+](=O)[O-])c1 ZINC000189113697 1432047633 /nfs/dbraw/zinc/04/76/33/1432047633.db2.gz FMPCIILPRDUFHP-UHFFFAOYSA-N 1 1 392.462 3.132 20 5 GGBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189582228 1432166539 /nfs/dbraw/zinc/16/65/39/1432166539.db2.gz SSRRUPULBWNJHT-CQSZACIVSA-N 1 1 395.431 3.116 20 5 GGBDMO O=C(CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1cc([N+](=O)[O-])ccc1F ZINC000189587207 1432168778 /nfs/dbraw/zinc/16/87/78/1432168778.db2.gz RJHLOFUJNXPKKN-FQEVSTJZSA-N 1 1 385.395 3.194 20 5 GGBDMO CC(C)c1ccc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190045477 1432310263 /nfs/dbraw/zinc/31/02/63/1432310263.db2.gz PGPFJPWJFMADTG-IYBDPMFKSA-N 1 1 377.485 3.337 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000190048586 1432311047 /nfs/dbraw/zinc/31/10/47/1432311047.db2.gz ZGEMIKISANKVDJ-BEFAXECRSA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000190061218 1432312668 /nfs/dbraw/zinc/31/26/68/1432312668.db2.gz OZPIXMBTKRCKGV-KXBFYZLASA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000190061218 1432312672 /nfs/dbraw/zinc/31/26/72/1432312672.db2.gz OZPIXMBTKRCKGV-KXBFYZLASA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000190061202 1432312770 /nfs/dbraw/zinc/31/27/70/1432312770.db2.gz OZPIXMBTKRCKGV-BEFAXECRSA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000190061202 1432312774 /nfs/dbraw/zinc/31/27/74/1432312774.db2.gz OZPIXMBTKRCKGV-BEFAXECRSA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc([N+](=O)[O-])c1C ZINC000190107826 1432321030 /nfs/dbraw/zinc/32/10/30/1432321030.db2.gz MRQAEPNSTBUDER-LSDHHAIUSA-N 1 1 375.469 3.295 20 5 GGBDMO COC(=O)c1cnc(NC[C@H](c2ccccc2Cl)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190164660 1432331636 /nfs/dbraw/zinc/33/16/36/1432331636.db2.gz FGGYBIIWATVYHN-OAHLLOKOSA-N 1 1 378.816 3.145 20 5 GGBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190313512 1432358638 /nfs/dbraw/zinc/35/86/38/1432358638.db2.gz QDHKBKNNBUWCAB-ICKBMGCOSA-N 1 1 381.476 3.177 20 5 GGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190313512 1432358641 /nfs/dbraw/zinc/35/86/41/1432358641.db2.gz QDHKBKNNBUWCAB-ICKBMGCOSA-N 1 1 381.476 3.177 20 5 GGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190313512 1432358644 /nfs/dbraw/zinc/35/86/44/1432358644.db2.gz QDHKBKNNBUWCAB-ICKBMGCOSA-N 1 1 381.476 3.177 20 5 GGBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000190422124 1432378787 /nfs/dbraw/zinc/37/87/87/1432378787.db2.gz SEQNZHBUYJONOL-IBGZPJMESA-N 1 1 384.436 3.007 20 5 GGBDMO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000190839910 1432503559 /nfs/dbraw/zinc/50/35/59/1432503559.db2.gz IDKKLZGGBDTTFC-LJQANCHMSA-N 1 1 398.463 3.316 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)ccc1N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000190880883 1432517424 /nfs/dbraw/zinc/51/74/24/1432517424.db2.gz NYFLFBQTEQDXHL-UHFFFAOYSA-N 1 1 390.871 3.372 20 5 GGBDMO COc1cc(C[N@@H+](C)CC2CC(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000191166076 1432580960 /nfs/dbraw/zinc/58/09/60/1432580960.db2.gz LLAMFAUGUUDBIX-UHFFFAOYSA-N 1 1 386.448 3.385 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000191185633 1432585544 /nfs/dbraw/zinc/58/55/44/1432585544.db2.gz XQILRWSSLRIHCA-HNAYVOBHSA-N 1 1 386.448 3.385 20 5 GGBDMO Cn1cc([C@H]2CSCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000191214706 1432593950 /nfs/dbraw/zinc/59/39/50/1432593950.db2.gz SNWJDRBYFRSKTA-QGZVFWFLSA-N 1 1 399.476 3.316 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000191329558 1432634024 /nfs/dbraw/zinc/63/40/24/1432634024.db2.gz JNYQSACZZGXIPN-UHFFFAOYSA-N 1 1 398.463 3.366 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191341492 1432637222 /nfs/dbraw/zinc/63/72/22/1432637222.db2.gz IMZOWNXRBAEXTF-IXDOHACOSA-N 1 1 390.484 3.317 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191341492 1432637228 /nfs/dbraw/zinc/63/72/28/1432637228.db2.gz IMZOWNXRBAEXTF-IXDOHACOSA-N 1 1 390.484 3.317 20 5 GGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000191391849 1432649835 /nfs/dbraw/zinc/64/98/35/1432649835.db2.gz LPTCDUUYDYGPPB-INIZCTEOSA-N 1 1 378.473 3.080 20 5 GGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191472184 1432667647 /nfs/dbraw/zinc/66/76/47/1432667647.db2.gz BYQLXHOFVMRERV-GOSISDBHSA-N 1 1 385.464 3.421 20 5 GGBDMO COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191472006 1432667697 /nfs/dbraw/zinc/66/76/97/1432667697.db2.gz OQOZJSSXKFNUTA-MRXNPFEDSA-N 1 1 391.855 3.376 20 5 GGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191472006 1432667702 /nfs/dbraw/zinc/66/77/02/1432667702.db2.gz OQOZJSSXKFNUTA-MRXNPFEDSA-N 1 1 391.855 3.376 20 5 GGBDMO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191491002 1432670990 /nfs/dbraw/zinc/67/09/90/1432670990.db2.gz ABTYLTTUMGSYDM-SFHVURJKSA-N 1 1 382.420 3.334 20 5 GGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191491002 1432670997 /nfs/dbraw/zinc/67/09/97/1432670997.db2.gz ABTYLTTUMGSYDM-SFHVURJKSA-N 1 1 382.420 3.334 20 5 GGBDMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191490996 1432671074 /nfs/dbraw/zinc/67/10/74/1432671074.db2.gz PXQNHLPVLUORLR-INIZCTEOSA-N 1 1 387.484 3.401 20 5 GGBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191496508 1432672317 /nfs/dbraw/zinc/67/23/17/1432672317.db2.gz HPKNJEUWKKLXIP-UHFFFAOYSA-N 1 1 384.440 3.316 20 5 GGBDMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000191577268 1432686469 /nfs/dbraw/zinc/68/64/69/1432686469.db2.gz CCRBPNUDWVWSGT-UHFFFAOYSA-N 1 1 383.448 3.260 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000191657236 1432700818 /nfs/dbraw/zinc/70/08/18/1432700818.db2.gz YMVPPNWGAKGPGU-CQSZACIVSA-N 1 1 384.436 3.205 20 5 GGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000191689157 1432706935 /nfs/dbraw/zinc/70/69/35/1432706935.db2.gz XOOMILDYLPXRTD-UHFFFAOYSA-N 1 1 377.485 3.496 20 5 GGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191936427 1432760287 /nfs/dbraw/zinc/76/02/87/1432760287.db2.gz LYHOGGIWSHCMQX-IBGZPJMESA-N 1 1 398.463 3.316 20 5 GGBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000192135199 1432804374 /nfs/dbraw/zinc/80/43/74/1432804374.db2.gz DYQBISTXIPZYDF-JKSUJKDBSA-N 1 1 395.525 3.143 20 5 GGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192226837 1432819494 /nfs/dbraw/zinc/81/94/94/1432819494.db2.gz VAOBWVYQYRCXKZ-FQEVSTJZSA-N 1 1 385.464 3.444 20 5 GGBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000192534376 1432856330 /nfs/dbraw/zinc/85/63/30/1432856330.db2.gz BBMIKSLSOYTKJI-IAGOWNOFSA-N 1 1 397.475 3.476 20 5 GGBDMO CN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000192603946 1432865037 /nfs/dbraw/zinc/86/50/37/1432865037.db2.gz VBNLHBZBQSIMIG-QGZVFWFLSA-N 1 1 383.448 3.340 20 5 GGBDMO CN(C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000192603930 1432865132 /nfs/dbraw/zinc/86/51/32/1432865132.db2.gz VBNLHBZBQSIMIG-KRWDZBQOSA-N 1 1 383.448 3.340 20 5 GGBDMO CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192644329 1432870688 /nfs/dbraw/zinc/87/06/88/1432870688.db2.gz VNZCOBCJGDKBRD-SFHVURJKSA-N 1 1 389.477 3.012 20 5 GGBDMO COc1cccc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000192657668 1432872110 /nfs/dbraw/zinc/87/21/10/1432872110.db2.gz BZWLUHCNDYMDES-MRXNPFEDSA-N 1 1 383.448 3.340 20 5 GGBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192925531 1432908562 /nfs/dbraw/zinc/90/85/62/1432908562.db2.gz FVNBTALMTAUAED-PKOBYXMFSA-N 1 1 396.491 3.424 20 5 GGBDMO COC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC000193662568 1433036120 /nfs/dbraw/zinc/03/61/20/1433036120.db2.gz XZKXKJXAZRBXTF-KRWDZBQOSA-N 1 1 377.828 3.472 20 5 GGBDMO Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000193746284 1433051195 /nfs/dbraw/zinc/05/11/95/1433051195.db2.gz VFCVSSMGPXVNSD-IBGZPJMESA-N 1 1 398.463 3.182 20 5 GGBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000193791568 1433060379 /nfs/dbraw/zinc/06/03/79/1433060379.db2.gz FDZSXGQJDLKBHD-KRWDZBQOSA-N 1 1 394.475 3.421 20 5 GGBDMO C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000193798625 1433061918 /nfs/dbraw/zinc/06/19/18/1433061918.db2.gz DPOICAHTPMGWOZ-DOTOQJQBSA-N 1 1 385.439 3.476 20 5 GGBDMO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000193798611 1433061970 /nfs/dbraw/zinc/06/19/70/1433061970.db2.gz DPOICAHTPMGWOZ-WBVHZDCISA-N 1 1 385.439 3.476 20 5 GGBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193801769 1433062772 /nfs/dbraw/zinc/06/27/72/1433062772.db2.gz GDHFHQAOQHWXOV-GOSISDBHSA-N 1 1 382.464 3.035 20 5 GGBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193801789 1433062792 /nfs/dbraw/zinc/06/27/92/1433062792.db2.gz GDHFHQAOQHWXOV-SFHVURJKSA-N 1 1 382.464 3.035 20 5 GGBDMO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@H+]1CCc2ccccc2C1 ZINC000193838392 1433070254 /nfs/dbraw/zinc/07/02/54/1433070254.db2.gz BPYMYUMYXYBOFY-AWEZNQCLSA-N 1 1 380.448 3.338 20 5 GGBDMO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@H+]1CCc2sccc2C1 ZINC000193854460 1433073791 /nfs/dbraw/zinc/07/37/91/1433073791.db2.gz GSSZMGQWBITBJA-LBPRGKRZSA-N 1 1 386.477 3.400 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000193946162 1433090081 /nfs/dbraw/zinc/09/00/81/1433090081.db2.gz KBKGTMWWZAZXPR-GOSISDBHSA-N 1 1 398.463 3.067 20 5 GGBDMO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000194058923 1433109601 /nfs/dbraw/zinc/10/96/01/1433109601.db2.gz OMLQTQFUCSGZOO-FUHWJXTLSA-N 1 1 382.464 3.477 20 5 GGBDMO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000194058886 1433109633 /nfs/dbraw/zinc/10/96/33/1433109633.db2.gz OMLQTQFUCSGZOO-WMZOPIPTSA-N 1 1 382.464 3.477 20 5 GGBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194352018 1433165664 /nfs/dbraw/zinc/16/56/64/1433165664.db2.gz SEKYXDXSBAGJPJ-KRWDZBQOSA-N 1 1 395.459 3.388 20 5 GGBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000194352952 1433165913 /nfs/dbraw/zinc/16/59/13/1433165913.db2.gz QPKDUPBYYQIXEP-UHFFFAOYSA-N 1 1 399.488 3.011 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000194487873 1433186353 /nfs/dbraw/zinc/18/63/53/1433186353.db2.gz ODKDDLNUHQYPNC-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000194487873 1433186355 /nfs/dbraw/zinc/18/63/55/1433186355.db2.gz ODKDDLNUHQYPNC-INIZCTEOSA-N 1 1 383.448 3.054 20 5 GGBDMO C[NH+](C)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000194489868 1433186655 /nfs/dbraw/zinc/18/66/55/1433186655.db2.gz UNYDLFKEGJNPEF-QGZVFWFLSA-N 1 1 376.844 3.350 20 5 GGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000194530741 1433193183 /nfs/dbraw/zinc/19/31/83/1433193183.db2.gz APYANNAUMWKNCO-IBGZPJMESA-N 1 1 397.475 3.310 20 5 GGBDMO COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000194535244 1433193737 /nfs/dbraw/zinc/19/37/37/1433193737.db2.gz CSQNKJZCWHMVRL-KDURUIRLSA-N 1 1 397.475 3.176 20 5 GGBDMO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000194554210 1433196370 /nfs/dbraw/zinc/19/63/70/1433196370.db2.gz LZMAXLGDUZDQIV-HNNXBMFYSA-N 1 1 383.448 3.386 20 5 GGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000194646935 1433210712 /nfs/dbraw/zinc/21/07/12/1433210712.db2.gz WNFGHHZQFQYABG-UHFFFAOYSA-N 1 1 386.477 3.465 20 5 GGBDMO Cc1csc(Sc2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])n1 ZINC000194745465 1433223347 /nfs/dbraw/zinc/22/33/47/1433223347.db2.gz NPOPVRTUFZTMTA-CYBMUJFWSA-N 1 1 392.506 3.335 20 5 GGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194873133 1433253707 /nfs/dbraw/zinc/25/37/07/1433253707.db2.gz WUPGFMHHINRWFA-FQEVSTJZSA-N 1 1 391.468 3.143 20 5 GGBDMO CCC[C@@]1(COC)CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000194939536 1433268899 /nfs/dbraw/zinc/26/88/99/1433268899.db2.gz BLESQLFRQQDMHJ-IBGZPJMESA-N 1 1 379.457 3.213 20 5 GGBDMO CN(C(=O)C[NH+]1CCC(OCCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000195211286 1433307673 /nfs/dbraw/zinc/30/76/73/1433307673.db2.gz NOUXPKUYNBVZIW-UHFFFAOYSA-N 1 1 397.475 3.281 20 5 GGBDMO COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000195271403 1433314098 /nfs/dbraw/zinc/31/40/98/1433314098.db2.gz CNLINPCGLXDMJW-HXUWFJFHSA-N 1 1 385.464 3.310 20 5 GGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000195526747 1433338639 /nfs/dbraw/zinc/33/86/39/1433338639.db2.gz AHZFAEZROIHOEE-MRXNPFEDSA-N 1 1 379.363 3.423 20 5 GGBDMO CCc1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195607711 1433341434 /nfs/dbraw/zinc/34/14/34/1433341434.db2.gz JWXIKWHERNDZJH-IBGZPJMESA-N 1 1 399.495 3.383 20 5 GGBDMO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000216191800 1433363121 /nfs/dbraw/zinc/36/31/21/1433363121.db2.gz GZYWHYOQXDIFHU-WMLDXEAASA-N 1 1 385.420 3.084 20 5 GGBDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000216191800 1433363122 /nfs/dbraw/zinc/36/31/22/1433363122.db2.gz GZYWHYOQXDIFHU-WMLDXEAASA-N 1 1 385.420 3.084 20 5 GGBDMO C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000226492808 1433368739 /nfs/dbraw/zinc/36/87/39/1433368739.db2.gz SQPDOVVKKYOJGP-IAGOWNOFSA-N 1 1 388.512 3.048 20 5 GGBDMO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236984013 1433384870 /nfs/dbraw/zinc/38/48/70/1433384870.db2.gz WXWXNKOIZQAVBT-QWHCGFSZSA-N 1 1 375.425 3.256 20 5 GGBDMO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236990011 1433385162 /nfs/dbraw/zinc/38/51/62/1433385162.db2.gz WXWXNKOIZQAVBT-STQMWFEESA-N 1 1 375.425 3.256 20 5 GGBDMO COc1cc(CNC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000237450455 1433403629 /nfs/dbraw/zinc/40/36/29/1433403629.db2.gz PQINSFQHEWSHHF-KRWDZBQOSA-N 1 1 389.452 3.440 20 5 GGBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000245449480 1433470128 /nfs/dbraw/zinc/47/01/28/1433470128.db2.gz NSVFDUYCQDSNHP-LEWJYISDSA-N 1 1 398.438 3.403 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000245535434 1433482249 /nfs/dbraw/zinc/48/22/49/1433482249.db2.gz WQQIBRYLEBPOQU-HUUCEWRRSA-N 1 1 389.452 3.050 20 5 GGBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245741079 1433509261 /nfs/dbraw/zinc/50/92/61/1433509261.db2.gz RNJQSIKICKURPN-IEBWSBKVSA-N 1 1 394.475 3.304 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000245789721 1433518095 /nfs/dbraw/zinc/51/80/95/1433518095.db2.gz NNLXLLIZVPZHKV-BBRMVZONSA-N 1 1 383.876 3.115 20 5 GGBDMO O=C(C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000245855628 1433527555 /nfs/dbraw/zinc/52/75/55/1433527555.db2.gz JZOIPHXIAWRAKZ-KBPBESRZSA-N 1 1 399.900 3.173 20 5 GGBDMO O=C(C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000245855628 1433527566 /nfs/dbraw/zinc/52/75/66/1433527566.db2.gz JZOIPHXIAWRAKZ-KBPBESRZSA-N 1 1 399.900 3.173 20 5 GGBDMO C[C@@H](O)C[N@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000245913388 1433541261 /nfs/dbraw/zinc/54/12/61/1433541261.db2.gz VUNRAIBAIHVSES-SJKOYZFVSA-N 1 1 377.828 3.241 20 5 GGBDMO C[C@@H](O)C[N@@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000245913388 1433541264 /nfs/dbraw/zinc/54/12/64/1433541264.db2.gz VUNRAIBAIHVSES-SJKOYZFVSA-N 1 1 377.828 3.241 20 5 GGBDMO C[C@H](O)C[N@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000245913393 1433541285 /nfs/dbraw/zinc/54/12/85/1433541285.db2.gz VUNRAIBAIHVSES-YVEFUNNKSA-N 1 1 377.828 3.241 20 5 GGBDMO C[C@H](O)C[N@@H+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000245913393 1433541286 /nfs/dbraw/zinc/54/12/86/1433541286.db2.gz VUNRAIBAIHVSES-YVEFUNNKSA-N 1 1 377.828 3.241 20 5 GGBDMO CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000246180948 1433578584 /nfs/dbraw/zinc/57/85/84/1433578584.db2.gz RHYHVMUZAZWXCO-WMLDXEAASA-N 1 1 383.452 3.066 20 5 GGBDMO CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000246180948 1433578587 /nfs/dbraw/zinc/57/85/87/1433578587.db2.gz RHYHVMUZAZWXCO-WMLDXEAASA-N 1 1 383.452 3.066 20 5 GGBDMO CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000246196097 1433580952 /nfs/dbraw/zinc/58/09/52/1433580952.db2.gz AGVMDQSROITWCQ-ZWKOTPCHSA-N 1 1 393.484 3.350 20 5 GGBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1CNC(=O)OC(C)(C)C ZINC000246217361 1433582906 /nfs/dbraw/zinc/58/29/06/1433582906.db2.gz CZPSRBNIJAPAGA-JLSDUUJJSA-N 1 1 393.484 3.253 20 5 GGBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1CNC(=O)OC(C)(C)C ZINC000246217354 1433582944 /nfs/dbraw/zinc/58/29/44/1433582944.db2.gz CZPSRBNIJAPAGA-FHLIZLRMSA-N 1 1 393.484 3.253 20 5 GGBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000246217367 1433582989 /nfs/dbraw/zinc/58/29/89/1433582989.db2.gz CZPSRBNIJAPAGA-ZTFGCOKTSA-N 1 1 393.484 3.253 20 5 GGBDMO O=C(NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000246245123 1433585990 /nfs/dbraw/zinc/58/59/90/1433585990.db2.gz IHLMQIXLSIQVBF-VQTJNVASSA-N 1 1 398.463 3.304 20 5 GGBDMO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000246272672 1433588229 /nfs/dbraw/zinc/58/82/29/1433588229.db2.gz BAACLAODPQSQIO-KXBFYZLASA-N 1 1 399.447 3.324 20 5 GGBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000246272672 1433588231 /nfs/dbraw/zinc/58/82/31/1433588231.db2.gz BAACLAODPQSQIO-KXBFYZLASA-N 1 1 399.447 3.324 20 5 GGBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246332957 1433596311 /nfs/dbraw/zinc/59/63/11/1433596311.db2.gz ICENINURMDFYAZ-IAGOWNOFSA-N 1 1 395.525 3.178 20 5 GGBDMO COc1cccc(C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000246364326 1433600955 /nfs/dbraw/zinc/60/09/55/1433600955.db2.gz XUZOAHAJICEMPT-LEWJYISDSA-N 1 1 386.448 3.318 20 5 GGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000246367192 1433601400 /nfs/dbraw/zinc/60/14/00/1433601400.db2.gz LHPAZSQKPPKSAX-DLBZAZTESA-N 1 1 375.469 3.087 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000246370630 1433601897 /nfs/dbraw/zinc/60/18/97/1433601897.db2.gz LQTBZRBLZJTMGE-HUUCEWRRSA-N 1 1 399.488 3.009 20 5 GGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000246378582 1433603328 /nfs/dbraw/zinc/60/33/28/1433603328.db2.gz ZIGLMIYXPXMUIE-VQTJNVASSA-N 1 1 382.416 3.457 20 5 GGBDMO O=C(C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000246429290 1433611773 /nfs/dbraw/zinc/61/17/73/1433611773.db2.gz DAGVWTIZERDOAD-HOCLYGCPSA-N 1 1 390.461 3.133 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000246477608 1433618819 /nfs/dbraw/zinc/61/88/19/1433618819.db2.gz GIMHMSXPVDQQRR-MAUKXSAKSA-N 1 1 383.452 3.094 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000246488681 1433620042 /nfs/dbraw/zinc/62/00/42/1433620042.db2.gz RUDHRPAKWHPCEW-KSEOMHKRSA-N 1 1 387.524 3.273 20 5 GGBDMO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000246488667 1433620198 /nfs/dbraw/zinc/62/01/98/1433620198.db2.gz RUDHRPAKWHPCEW-ILWGZMRPSA-N 1 1 387.524 3.273 20 5 GGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246524425 1433625258 /nfs/dbraw/zinc/62/52/58/1433625258.db2.gz CGBMJXHJXHYDOJ-SJLPKXTDSA-N 1 1 395.525 3.011 20 5 GGBDMO Cc1c(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000246535458 1433626799 /nfs/dbraw/zinc/62/67/99/1433626799.db2.gz JOSJGTVTQDXKFQ-FTRWYGJKSA-N 1 1 386.496 3.179 20 5 GGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000246541481 1433628004 /nfs/dbraw/zinc/62/80/04/1433628004.db2.gz GLMSBTZRRVMYTH-WMLDXEAASA-N 1 1 386.477 3.275 20 5 GGBDMO O=C1N(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)CCN1c1ccccc1[N+](=O)[O-] ZINC000246570770 1433632832 /nfs/dbraw/zinc/63/28/32/1433632832.db2.gz MISZVVJITOFMBH-IAGOWNOFSA-N 1 1 376.482 3.154 20 5 GGBDMO O=C1N(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)CCN1c1ccccc1[N+](=O)[O-] ZINC000246570770 1433632833 /nfs/dbraw/zinc/63/28/33/1433632833.db2.gz MISZVVJITOFMBH-IAGOWNOFSA-N 1 1 376.482 3.154 20 5 GGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000246590866 1433636323 /nfs/dbraw/zinc/63/63/23/1433636323.db2.gz IMHHUXNLSWYODA-YOEHRIQHSA-N 1 1 386.477 3.275 20 5 GGBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000246642268 1433644340 /nfs/dbraw/zinc/64/43/40/1433644340.db2.gz WWEJGBMFYRFVKK-GUYCJALGSA-N 1 1 375.450 3.447 20 5 GGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000246642268 1433644345 /nfs/dbraw/zinc/64/43/45/1433644345.db2.gz WWEJGBMFYRFVKK-GUYCJALGSA-N 1 1 375.450 3.447 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246666070 1433647071 /nfs/dbraw/zinc/64/70/71/1433647071.db2.gz AYEAJAZNCCREHW-WMLDXEAASA-N 1 1 395.525 3.184 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246716152 1433654536 /nfs/dbraw/zinc/65/45/36/1433654536.db2.gz GAPYSZJXOQJEHY-BBRMVZONSA-N 1 1 383.876 3.115 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246759523 1433661129 /nfs/dbraw/zinc/66/11/29/1433661129.db2.gz KDUJUICTMNRYEX-SUMWQHHRSA-N 1 1 383.876 3.115 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246759508 1433661160 /nfs/dbraw/zinc/66/11/60/1433661160.db2.gz KDUJUICTMNRYEX-GUYCJALGSA-N 1 1 383.876 3.115 20 5 GGBDMO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000246796814 1433668502 /nfs/dbraw/zinc/66/85/02/1433668502.db2.gz MPLSCPMXUKBRAY-YJBOKZPZSA-N 1 1 383.452 3.094 20 5 GGBDMO C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000247200033 1433690314 /nfs/dbraw/zinc/69/03/14/1433690314.db2.gz XBZXIEMAZUEGKN-OXJNMPFZSA-N 1 1 396.491 3.143 20 5 GGBDMO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000247200033 1433690319 /nfs/dbraw/zinc/69/03/19/1433690319.db2.gz XBZXIEMAZUEGKN-OXJNMPFZSA-N 1 1 396.491 3.143 20 5 GGBDMO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000247200033 1433690325 /nfs/dbraw/zinc/69/03/25/1433690325.db2.gz XBZXIEMAZUEGKN-OXJNMPFZSA-N 1 1 396.491 3.143 20 5 GGBDMO CCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000247249542 1433696302 /nfs/dbraw/zinc/69/63/02/1433696302.db2.gz VZMLVWIJZFPNBC-HUUCEWRRSA-N 1 1 379.457 3.212 20 5 GGBDMO CCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000247249542 1433696306 /nfs/dbraw/zinc/69/63/06/1433696306.db2.gz VZMLVWIJZFPNBC-HUUCEWRRSA-N 1 1 379.457 3.212 20 5 GGBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000247284330 1433699983 /nfs/dbraw/zinc/69/99/83/1433699983.db2.gz SQYDISFUVSHYNY-DOTOQJQBSA-N 1 1 378.473 3.162 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247336901 1433709071 /nfs/dbraw/zinc/70/90/71/1433709071.db2.gz YUKHRPUFFSVDLM-FCEWJHQRSA-N 1 1 392.500 3.092 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000247342624 1433710234 /nfs/dbraw/zinc/71/02/34/1433710234.db2.gz JNIDRJRGSJBNNA-QVDMIQRCSA-N 1 1 382.464 3.063 20 5 GGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247442363 1433722671 /nfs/dbraw/zinc/72/26/71/1433722671.db2.gz OJHDSFFLJFNRJX-JIPZTSHUSA-N 1 1 397.475 3.490 20 5 GGBDMO Nc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000247966340 1433760069 /nfs/dbraw/zinc/76/00/69/1433760069.db2.gz GVUINDNAZXSLTE-AZUAARDMSA-N 1 1 394.475 3.304 20 5 GGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000248179095 1433777740 /nfs/dbraw/zinc/77/77/40/1433777740.db2.gz WCFSFRJNFOGHJU-RHSMWYFYSA-N 1 1 386.477 3.275 20 5 GGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248400725 1433797107 /nfs/dbraw/zinc/79/71/07/1433797107.db2.gz YCBPREUIYTWGLC-XYJFISCASA-N 1 1 391.512 3.168 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000248446825 1433803390 /nfs/dbraw/zinc/80/33/90/1433803390.db2.gz HAZXABKHDXQHHF-VXGBXAGGSA-N 1 1 378.454 3.122 20 5 GGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000248446825 1433803391 /nfs/dbraw/zinc/80/33/91/1433803391.db2.gz HAZXABKHDXQHHF-VXGBXAGGSA-N 1 1 378.454 3.122 20 5 GGBDMO Cc1ccc([C@H]2CSCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248450651 1433803756 /nfs/dbraw/zinc/80/37/56/1433803756.db2.gz IRSPJLDXGNEJQX-IEBWSBKVSA-N 1 1 388.489 3.433 20 5 GGBDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000248464020 1433805125 /nfs/dbraw/zinc/80/51/25/1433805125.db2.gz QXQSWMVRUPETKI-CJNGLKHVSA-N 1 1 377.466 3.109 20 5 GGBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000248472261 1433805234 /nfs/dbraw/zinc/80/52/34/1433805234.db2.gz WDIJZRQIJZIKPH-MOPGFXCFSA-N 1 1 385.464 3.238 20 5 GGBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000248472262 1433805291 /nfs/dbraw/zinc/80/52/91/1433805291.db2.gz WDIJZRQIJZIKPH-RTBURBONSA-N 1 1 385.464 3.238 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000248537693 1433807593 /nfs/dbraw/zinc/80/75/93/1433807593.db2.gz HIXLVVZSMKSXOA-MDYRTPRTSA-N 1 1 383.448 3.286 20 5 GGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000248537693 1433807594 /nfs/dbraw/zinc/80/75/94/1433807594.db2.gz HIXLVVZSMKSXOA-MDYRTPRTSA-N 1 1 383.448 3.286 20 5 GGBDMO C[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000248628250 1433812368 /nfs/dbraw/zinc/81/23/68/1433812368.db2.gz QMNUCOAVUUNCNS-ZWKOTPCHSA-N 1 1 388.855 3.493 20 5 GGBDMO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248736804 1433818880 /nfs/dbraw/zinc/81/88/80/1433818880.db2.gz BTJTWHJRCSDLOX-GOEBONIOSA-N 1 1 385.468 3.005 20 5 GGBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248736804 1433818881 /nfs/dbraw/zinc/81/88/81/1433818881.db2.gz BTJTWHJRCSDLOX-GOEBONIOSA-N 1 1 385.468 3.005 20 5 GGBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000248736804 1433818882 /nfs/dbraw/zinc/81/88/82/1433818882.db2.gz BTJTWHJRCSDLOX-GOEBONIOSA-N 1 1 385.468 3.005 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000248823579 1433824146 /nfs/dbraw/zinc/82/41/46/1433824146.db2.gz LQHPBRNHGVOHNP-YCRPNKLZSA-N 1 1 392.459 3.255 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000248877497 1433827257 /nfs/dbraw/zinc/82/72/57/1433827257.db2.gz RHJIMXSZVDERKV-FUHWJXTLSA-N 1 1 383.448 3.000 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000248916174 1433829521 /nfs/dbraw/zinc/82/95/21/1433829521.db2.gz WCCWTUDVLXQJJG-VQIMIIECSA-N 1 1 382.464 3.257 20 5 GGBDMO C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000248929925 1433829669 /nfs/dbraw/zinc/82/96/69/1433829669.db2.gz XQLUJQJNGIZZPB-TWOQFEAHSA-N 1 1 382.464 3.476 20 5 GGBDMO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000249871147 1433853405 /nfs/dbraw/zinc/85/34/05/1433853405.db2.gz JWZQLXKVOYTKLU-GOEBONIOSA-N 1 1 399.447 3.429 20 5 GGBDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 ZINC000249871147 1433853406 /nfs/dbraw/zinc/85/34/06/1433853406.db2.gz JWZQLXKVOYTKLU-GOEBONIOSA-N 1 1 399.447 3.429 20 5 GGBDMO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000251701684 1433860020 /nfs/dbraw/zinc/86/00/20/1433860020.db2.gz ODVPEFAJMYZOMD-QRWLVFNGSA-N 1 1 399.447 3.394 20 5 GGBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000251701684 1433860021 /nfs/dbraw/zinc/86/00/21/1433860021.db2.gz ODVPEFAJMYZOMD-QRWLVFNGSA-N 1 1 399.447 3.394 20 5 GGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000255892585 1433891138 /nfs/dbraw/zinc/89/11/38/1433891138.db2.gz RVEGPJLRUXTZPU-POHAHGRESA-N 1 1 392.459 3.347 20 5 GGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000255892585 1433891139 /nfs/dbraw/zinc/89/11/39/1433891139.db2.gz RVEGPJLRUXTZPU-POHAHGRESA-N 1 1 392.459 3.347 20 5 GGBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261716178 1433899758 /nfs/dbraw/zinc/89/97/58/1433899758.db2.gz DVPKHRDDGRTOAF-KRWDZBQOSA-N 1 1 389.839 3.190 20 5 GGBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261895152 1433910538 /nfs/dbraw/zinc/91/05/38/1433910538.db2.gz GAXHEERTRVIEAC-LJQANCHMSA-N 1 1 384.411 3.095 20 5 GGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262106401 1433927308 /nfs/dbraw/zinc/92/73/08/1433927308.db2.gz ZQLRQEQJXTYINH-QGZVFWFLSA-N 1 1 377.803 3.103 20 5 GGBDMO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263517224 1434010556 /nfs/dbraw/zinc/01/05/56/1434010556.db2.gz PEZMSVUEWIBYEI-INIZCTEOSA-N 1 1 387.436 3.226 20 5 GGBDMO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263517224 1434010559 /nfs/dbraw/zinc/01/05/59/1434010559.db2.gz PEZMSVUEWIBYEI-INIZCTEOSA-N 1 1 387.436 3.226 20 5 GGBDMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263517224 1434010563 /nfs/dbraw/zinc/01/05/63/1434010563.db2.gz PEZMSVUEWIBYEI-INIZCTEOSA-N 1 1 387.436 3.226 20 5 GGBDMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263517224 1434010567 /nfs/dbraw/zinc/01/05/67/1434010567.db2.gz PEZMSVUEWIBYEI-INIZCTEOSA-N 1 1 387.436 3.226 20 5 GGBDMO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000263698190 1434022519 /nfs/dbraw/zinc/02/25/19/1434022519.db2.gz KYIIZGMVLWLKGK-UHFFFAOYSA-N 1 1 397.475 3.271 20 5 GGBDMO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000263698190 1434022522 /nfs/dbraw/zinc/02/25/22/1434022522.db2.gz KYIIZGMVLWLKGK-UHFFFAOYSA-N 1 1 397.475 3.271 20 5 GGBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(N2CCOC2=O)c1 ZINC000263709923 1434023911 /nfs/dbraw/zinc/02/39/11/1434023911.db2.gz UBNCIHYHHABBCX-ZDUSSCGKSA-N 1 1 399.403 3.269 20 5 GGBDMO C[C@H](c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000264422325 1434110494 /nfs/dbraw/zinc/11/04/94/1434110494.db2.gz IZQPURFVWPEFCA-OAHLLOKOSA-N 1 1 385.420 3.006 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000264685724 1434143795 /nfs/dbraw/zinc/14/37/95/1434143795.db2.gz YBFGBKKVOXENJN-YQQAZPJKSA-N 1 1 376.457 3.009 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000264685722 1434143933 /nfs/dbraw/zinc/14/39/33/1434143933.db2.gz YBFGBKKVOXENJN-UXLLHSPISA-N 1 1 376.457 3.009 20 5 GGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000264685722 1434143935 /nfs/dbraw/zinc/14/39/35/1434143935.db2.gz YBFGBKKVOXENJN-UXLLHSPISA-N 1 1 376.457 3.009 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)c1 ZINC000264753362 1434151862 /nfs/dbraw/zinc/15/18/62/1434151862.db2.gz XCQZHQLCXKRQDV-XJKSGUPXSA-N 1 1 385.342 3.180 20 5 GGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264907029 1434163849 /nfs/dbraw/zinc/16/38/49/1434163849.db2.gz DFHHEDKFZWIYBQ-UHFFFAOYSA-N 1 1 383.448 3.210 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000264990728 1434172163 /nfs/dbraw/zinc/17/21/63/1434172163.db2.gz WZNGOVMSQLIJIQ-UHFFFAOYSA-N 1 1 387.436 3.236 20 5 GGBDMO O=[N+]([O-])c1ccccc1OCc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000265071807 1434181266 /nfs/dbraw/zinc/18/12/66/1434181266.db2.gz XOZVQBDEGZOKQL-UHFFFAOYSA-N 1 1 396.403 3.056 20 5 GGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000265619857 1434250885 /nfs/dbraw/zinc/25/08/85/1434250885.db2.gz AULNQDIGDMHBSC-KRWDZBQOSA-N 1 1 394.431 3.000 20 5 GGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000265739562 1434261678 /nfs/dbraw/zinc/26/16/78/1434261678.db2.gz DMIMQGVMODLKTF-UHFFFAOYSA-N 1 1 377.828 3.491 20 5 GGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266037752 1434298667 /nfs/dbraw/zinc/29/86/67/1434298667.db2.gz VACYLHQQVGHSCU-ZDUSSCGKSA-N 1 1 381.860 3.468 20 5 GGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC2(CCOCC2)C1 ZINC000266037752 1434298670 /nfs/dbraw/zinc/29/86/70/1434298670.db2.gz VACYLHQQVGHSCU-ZDUSSCGKSA-N 1 1 381.860 3.468 20 5 GGBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCc2sccc2C1 ZINC000266431244 1434335684 /nfs/dbraw/zinc/33/56/84/1434335684.db2.gz UHDIAXKRBZICMJ-UHFFFAOYSA-N 1 1 388.449 3.083 20 5 GGBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CCO)c1ccccc1 ZINC000266630196 1434356243 /nfs/dbraw/zinc/35/62/43/1434356243.db2.gz PGBLMRSJNWKRED-KRWDZBQOSA-N 1 1 377.828 3.242 20 5 GGBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CCO)c1ccccc1 ZINC000266630196 1434356245 /nfs/dbraw/zinc/35/62/45/1434356245.db2.gz PGBLMRSJNWKRED-KRWDZBQOSA-N 1 1 377.828 3.242 20 5 GGBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000266665487 1434361404 /nfs/dbraw/zinc/36/14/04/1434361404.db2.gz SQSLPEPCZXEQPC-UHFFFAOYSA-N 1 1 384.436 3.011 20 5 GGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266958137 1434393025 /nfs/dbraw/zinc/39/30/25/1434393025.db2.gz VWOGNNMBAIPQHJ-NWDGAFQWSA-N 1 1 377.832 3.178 20 5 GGBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000267442413 1434433658 /nfs/dbraw/zinc/43/36/58/1434433658.db2.gz CIUYJZURIFGLMS-CJNGLKHVSA-N 1 1 383.876 3.115 20 5 GGBDMO COC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267466855 1434436752 /nfs/dbraw/zinc/43/67/52/1434436752.db2.gz WRARUGIWTKCCSK-CHWSQXEVSA-N 1 1 390.465 3.014 20 5 GGBDMO COC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000267466855 1434436754 /nfs/dbraw/zinc/43/67/54/1434436754.db2.gz WRARUGIWTKCCSK-CHWSQXEVSA-N 1 1 390.465 3.014 20 5 GGBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267633161 1434451693 /nfs/dbraw/zinc/45/16/93/1434451693.db2.gz SZEPIWWWUXKIBC-TZMCWYRMSA-N 1 1 390.440 3.471 20 5 GGBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267633161 1434451695 /nfs/dbraw/zinc/45/16/95/1434451695.db2.gz SZEPIWWWUXKIBC-TZMCWYRMSA-N 1 1 390.440 3.471 20 5 GGBDMO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267633145 1434451730 /nfs/dbraw/zinc/45/17/30/1434451730.db2.gz SZEPIWWWUXKIBC-GXTWGEPZSA-N 1 1 390.440 3.471 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267633145 1434451732 /nfs/dbraw/zinc/45/17/32/1434451732.db2.gz SZEPIWWWUXKIBC-GXTWGEPZSA-N 1 1 390.440 3.471 20 5 GGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000268285831 1434508557 /nfs/dbraw/zinc/50/85/57/1434508557.db2.gz YXLLPXPRPMNGBT-GOSISDBHSA-N 1 1 391.515 3.249 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003556 1434580556 /nfs/dbraw/zinc/58/05/56/1434580556.db2.gz VKDYCZLCNTZMQR-FUHWJXTLSA-N 1 1 382.464 3.034 20 5 GGBDMO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000269077565 1434588871 /nfs/dbraw/zinc/58/88/71/1434588871.db2.gz NTSYYCRCDNMQGH-RYUDHWBXSA-N 1 1 378.454 3.266 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000269456182 1434648565 /nfs/dbraw/zinc/64/85/65/1434648565.db2.gz HARBAGRSRYXTBD-ZBFHGGJFSA-N 1 1 385.468 3.082 20 5 GGBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269456179 1434648682 /nfs/dbraw/zinc/64/86/82/1434648682.db2.gz HARBAGRSRYXTBD-HOCLYGCPSA-N 1 1 385.468 3.082 20 5 GGBDMO CC(C)c1[nH]nc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000269462518 1434649548 /nfs/dbraw/zinc/64/95/48/1434649548.db2.gz SQHDOQCIBWRIBD-CYBMUJFWSA-N 1 1 387.440 3.087 20 5 GGBDMO COc1cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1OC ZINC000270161835 1434708452 /nfs/dbraw/zinc/70/84/52/1434708452.db2.gz UEAKRTRSFLZPBY-RYZVSIALSA-N 1 1 378.450 3.200 20 5 GGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c2c(c1)COCO2 ZINC000270464295 1434735542 /nfs/dbraw/zinc/73/55/42/1434735542.db2.gz MMMAAACTWQJZPW-QGZVFWFLSA-N 1 1 394.431 3.476 20 5 GGBDMO CC(C)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)CC1 ZINC000270478323 1434737102 /nfs/dbraw/zinc/73/71/02/1434737102.db2.gz OTKCPWZDOYCINY-UHFFFAOYSA-N 1 1 383.496 3.138 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(c4ncccc4F)CC3)o2)c1 ZINC000270492018 1434738444 /nfs/dbraw/zinc/73/84/44/1434738444.db2.gz BSHQNCLWWWCTCT-UHFFFAOYSA-N 1 1 397.410 3.149 20 5 GGBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+](CCc2cccs2)CC1 ZINC000270815879 1434777913 /nfs/dbraw/zinc/77/79/13/1434777913.db2.gz NEBYXMBKFGKOJV-UHFFFAOYSA-N 1 1 396.472 3.205 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270957818 1434790778 /nfs/dbraw/zinc/79/07/78/1434790778.db2.gz NRMIDQOJQPSBBY-UHFFFAOYSA-N 1 1 391.512 3.124 20 5 GGBDMO COc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271056838 1434799128 /nfs/dbraw/zinc/79/91/28/1434799128.db2.gz ATFIOVLKKCESFH-UHFFFAOYSA-N 1 1 375.404 3.230 20 5 GGBDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271118164 1434803040 /nfs/dbraw/zinc/80/30/40/1434803040.db2.gz CYKUMEVMEQLSSJ-SFHVURJKSA-N 1 1 392.452 3.089 20 5 GGBDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271118160 1434803077 /nfs/dbraw/zinc/80/30/77/1434803077.db2.gz CYKUMEVMEQLSSJ-GOSISDBHSA-N 1 1 392.452 3.089 20 5 GGBDMO COc1cc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c([N+](=O)[O-])cc1OC ZINC000271172746 1434806014 /nfs/dbraw/zinc/80/60/14/1434806014.db2.gz AKTMFJFCOKEMDE-CYBMUJFWSA-N 1 1 388.424 3.252 20 5 GGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c([N+](=O)[O-])cc1OC ZINC000271172746 1434806016 /nfs/dbraw/zinc/80/60/16/1434806016.db2.gz AKTMFJFCOKEMDE-CYBMUJFWSA-N 1 1 388.424 3.252 20 5 GGBDMO CCCCCC(=O)NC1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000271206898 1434808157 /nfs/dbraw/zinc/80/81/57/1434808157.db2.gz YTAQWWTVKBBQFU-UHFFFAOYSA-N 1 1 393.484 3.273 20 5 GGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000271553225 1434834344 /nfs/dbraw/zinc/83/43/44/1434834344.db2.gz VHYAANSADQPHCG-SZVBFZGTSA-N 1 1 393.553 3.433 20 5 GGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000271553221 1434834363 /nfs/dbraw/zinc/83/43/63/1434834363.db2.gz VHYAANSADQPHCG-HHXXYDBFSA-N 1 1 393.553 3.433 20 5 GGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272222976 1434879316 /nfs/dbraw/zinc/87/93/16/1434879316.db2.gz AGCWDQKJCXLNMM-QWHCGFSZSA-N 1 1 390.440 3.471 20 5 GGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272222976 1434879317 /nfs/dbraw/zinc/87/93/17/1434879317.db2.gz AGCWDQKJCXLNMM-QWHCGFSZSA-N 1 1 390.440 3.471 20 5 GGBDMO COc1cc(CN(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272252217 1434881784 /nfs/dbraw/zinc/88/17/84/1434881784.db2.gz IMVFDGSDSSFJER-UHFFFAOYSA-N 1 1 387.427 3.021 20 5 GGBDMO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272386279 1434892841 /nfs/dbraw/zinc/89/28/41/1434892841.db2.gz WCLAUXRZUQNJQE-WMZOPIPTSA-N 1 1 383.448 3.000 20 5 GGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272404980 1434894262 /nfs/dbraw/zinc/89/42/62/1434894262.db2.gz YNRLJDLVXHSGSY-UHFFFAOYSA-N 1 1 379.848 3.027 20 5 GGBDMO Cn1ccnc1[C@H](NCC[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272480061 1434899205 /nfs/dbraw/zinc/89/92/05/1434899205.db2.gz CAUCIEJIDSWJSV-HXUWFJFHSA-N 1 1 379.464 3.139 20 5 GGBDMO Cn1ccnc1[C@@H](NCC[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272480055 1434899275 /nfs/dbraw/zinc/89/92/75/1434899275.db2.gz CAUCIEJIDSWJSV-FQEVSTJZSA-N 1 1 379.464 3.139 20 5 GGBDMO Cn1ccnc1[C@H]([NH2+]CCCCNc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000272484990 1434899638 /nfs/dbraw/zinc/89/96/38/1434899638.db2.gz CUUXFMWOHZDTQL-LJQANCHMSA-N 1 1 380.452 3.295 20 5 GGBDMO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272494710 1434900518 /nfs/dbraw/zinc/90/05/18/1434900518.db2.gz FOKRHMSECGXPNW-YLJYHZDGSA-N 1 1 385.512 3.375 20 5 GGBDMO COc1ccc(O[C@@H](C)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272498657 1434900848 /nfs/dbraw/zinc/90/08/48/1434900848.db2.gz GHZLDXBZACUTSE-MGPUTAFESA-N 1 1 396.447 3.483 20 5 GGBDMO COc1ccc(O[C@H](C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272498663 1434900927 /nfs/dbraw/zinc/90/09/27/1434900927.db2.gz GHZLDXBZACUTSE-QRWLVFNGSA-N 1 1 396.447 3.483 20 5 GGBDMO COc1cccc(O[C@@H](C)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272537916 1434905858 /nfs/dbraw/zinc/90/58/58/1434905858.db2.gz OKBZJHKSODAMKZ-YWZLYKJASA-N 1 1 396.447 3.483 20 5 GGBDMO Cn1ccnc1[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272575028 1434909463 /nfs/dbraw/zinc/90/94/63/1434909463.db2.gz WXTBKAICAVWYNQ-CTNGQTDRSA-N 1 1 391.475 3.282 20 5 GGBDMO Cn1ccnc1[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272575050 1434909660 /nfs/dbraw/zinc/90/96/60/1434909660.db2.gz WXTBKAICAVWYNQ-TZIWHRDSSA-N 1 1 391.475 3.282 20 5 GGBDMO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272681447 1434922300 /nfs/dbraw/zinc/92/23/00/1434922300.db2.gz VLYXPQAAQPNKHZ-UHFFFAOYSA-N 1 1 397.334 3.445 20 5 GGBDMO C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272732687 1434926649 /nfs/dbraw/zinc/92/66/49/1434926649.db2.gz BXOGCAHBQWVBLU-ZIAGYGMSSA-N 1 1 381.498 3.063 20 5 GGBDMO COc1ccc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1[N+](=O)[O-] ZINC000273009489 1434949657 /nfs/dbraw/zinc/94/96/57/1434949657.db2.gz YTNWKPSXGOMILP-UHFFFAOYSA-N 1 1 390.465 3.219 20 5 GGBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])sc2C1 ZINC000273081846 1434958727 /nfs/dbraw/zinc/95/87/27/1434958727.db2.gz XVPUKQSSZUUZRU-UHFFFAOYSA-N 1 1 382.392 3.348 20 5 GGBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])sc2C1 ZINC000273081846 1434958731 /nfs/dbraw/zinc/95/87/31/1434958731.db2.gz XVPUKQSSZUUZRU-UHFFFAOYSA-N 1 1 382.392 3.348 20 5 GGBDMO Cc1cc(-c2noc([C@H](C)[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000273273727 1434977336 /nfs/dbraw/zinc/97/73/36/1434977336.db2.gz FDVXPJVOZYVCBG-SJCJKPOMSA-N 1 1 386.383 3.477 20 5 GGBDMO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)nc1 ZINC000274104545 1435044183 /nfs/dbraw/zinc/04/41/83/1435044183.db2.gz YVKQZSCJTQOOIB-MRXNPFEDSA-N 1 1 379.420 3.343 20 5 GGBDMO CC(C)c1noc([C@@H](C)[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000274157987 1435047624 /nfs/dbraw/zinc/04/76/24/1435047624.db2.gz ZBEADFTZVZCZEO-CYBMUJFWSA-N 1 1 399.455 3.251 20 5 GGBDMO CC(C)c1noc([C@@H](C)[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000274157987 1435047625 /nfs/dbraw/zinc/04/76/25/1435047625.db2.gz ZBEADFTZVZCZEO-CYBMUJFWSA-N 1 1 399.455 3.251 20 5 GGBDMO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000274273536 1435056693 /nfs/dbraw/zinc/05/66/93/1435056693.db2.gz BJSLMAGVGZKCOK-CQSZACIVSA-N 1 1 378.425 3.015 20 5 GGBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000274273536 1435056695 /nfs/dbraw/zinc/05/66/95/1435056695.db2.gz BJSLMAGVGZKCOK-CQSZACIVSA-N 1 1 378.425 3.015 20 5 GGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801321 1435093708 /nfs/dbraw/zinc/09/37/08/1435093708.db2.gz FKGQPWFRXKJNMU-UWJYYQICSA-N 1 1 396.491 3.058 20 5 GGBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000275189003 1435121524 /nfs/dbraw/zinc/12/15/24/1435121524.db2.gz AIKYZRQKVCULIP-FPOVZHCZSA-N 1 1 380.448 3.305 20 5 GGBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275477150 1435142115 /nfs/dbraw/zinc/14/21/15/1435142115.db2.gz SKSHWCGTHRPXBZ-OAHLLOKOSA-N 1 1 393.487 3.011 20 5 GGBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275477150 1435142117 /nfs/dbraw/zinc/14/21/17/1435142117.db2.gz SKSHWCGTHRPXBZ-OAHLLOKOSA-N 1 1 393.487 3.011 20 5 GGBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000276326818 1435204869 /nfs/dbraw/zinc/20/48/69/1435204869.db2.gz QQOJLIYNQCKZPW-KGLIPLIRSA-N 1 1 381.498 3.063 20 5 GGBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000276326812 1435204875 /nfs/dbraw/zinc/20/48/75/1435204875.db2.gz QQOJLIYNQCKZPW-KBPBESRZSA-N 1 1 381.498 3.063 20 5 GGBDMO CC(=O)N(C[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000276669464 1435223959 /nfs/dbraw/zinc/22/39/59/1435223959.db2.gz ZDEGSXJJYAQXNH-IBGZPJMESA-N 1 1 398.463 3.268 20 5 GGBDMO CCOc1cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)ccc1[N+](=O)[O-] ZINC000276931035 1435244239 /nfs/dbraw/zinc/24/42/39/1435244239.db2.gz QTNJFLWSIBGWLK-INIZCTEOSA-N 1 1 381.436 3.416 20 5 GGBDMO CCCn1cc[nH+]c1CCCN(C)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000277279170 1435288735 /nfs/dbraw/zinc/28/87/35/1435288735.db2.gz YQGJCQGWVYXRIV-UHFFFAOYSA-N 1 1 387.440 3.227 20 5 GGBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277417755 1435303233 /nfs/dbraw/zinc/30/32/33/1435303233.db2.gz CQKXUFVQDJZEMC-INIZCTEOSA-N 1 1 393.509 3.080 20 5 GGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)o2)c1 ZINC000277624821 1435317168 /nfs/dbraw/zinc/31/71/68/1435317168.db2.gz ASCRXTCETRCOAP-GUYCJALGSA-N 1 1 399.369 3.428 20 5 GGBDMO COc1ccc(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1[N+](=O)[O-] ZINC000277906787 1435341257 /nfs/dbraw/zinc/34/12/57/1435341257.db2.gz FRBOJFIKCFNOGA-UHFFFAOYSA-N 1 1 386.408 3.382 20 5 GGBDMO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1SC ZINC000277978920 1435347565 /nfs/dbraw/zinc/34/75/65/1435347565.db2.gz QLLGMTPNPGGSAP-ZDUSSCGKSA-N 1 1 379.482 3.072 20 5 GGBDMO C[C@@H]1C[N@@H+](CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000278005625 1435349562 /nfs/dbraw/zinc/34/95/62/1435349562.db2.gz VMVOTFJSYKNJLA-OAHLLOKOSA-N 1 1 390.509 3.309 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278098326 1435359067 /nfs/dbraw/zinc/35/90/67/1435359067.db2.gz ZFAIOWNXCVVPIZ-UHFFFAOYSA-N 1 1 384.436 3.094 20 5 GGBDMO Cn1cc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278342377 1435381720 /nfs/dbraw/zinc/38/17/20/1435381720.db2.gz HTTLVPRSEUDECH-GUYCJALGSA-N 1 1 398.385 3.131 20 5 GGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278473275 1435393468 /nfs/dbraw/zinc/39/34/68/1435393468.db2.gz HQDDPMAQZUZPNW-QWHCGFSZSA-N 1 1 394.428 3.238 20 5 GGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278473275 1435393470 /nfs/dbraw/zinc/39/34/70/1435393470.db2.gz HQDDPMAQZUZPNW-QWHCGFSZSA-N 1 1 394.428 3.238 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1 ZINC000278621322 1435406711 /nfs/dbraw/zinc/40/67/11/1435406711.db2.gz KNFRMGUUZUFFMU-UHFFFAOYSA-N 1 1 380.404 3.463 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000278688158 1435414098 /nfs/dbraw/zinc/41/40/98/1435414098.db2.gz SABAVVWQGXLSHC-HNNXBMFYSA-N 1 1 384.436 3.169 20 5 GGBDMO Cc1c[nH+]ccc1OC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000278688161 1435414118 /nfs/dbraw/zinc/41/41/18/1435414118.db2.gz SABAVVWQGXLSHC-OAHLLOKOSA-N 1 1 384.436 3.169 20 5 GGBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000278729233 1435418155 /nfs/dbraw/zinc/41/81/55/1435418155.db2.gz RVAAKTHGBQFNQD-UHFFFAOYSA-N 1 1 377.485 3.114 20 5 GGBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]2CO)cn1 ZINC000278813298 1435426055 /nfs/dbraw/zinc/42/60/55/1435426055.db2.gz YWONNGNPIMQYDM-LPHOPBHVSA-N 1 1 398.488 3.265 20 5 GGBDMO CCn1nccc1C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000278889867 1435436229 /nfs/dbraw/zinc/43/62/29/1435436229.db2.gz OBGWQSVYTGQORX-UHFFFAOYSA-N 1 1 382.424 3.241 20 5 GGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278945952 1435443540 /nfs/dbraw/zinc/44/35/40/1435443540.db2.gz VCVLESIIKCVYDR-HNNXBMFYSA-N 1 1 397.479 3.334 20 5 GGBDMO CN1CCN(c2cc(C[NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)ccn2)CC1 ZINC000279031675 1435454020 /nfs/dbraw/zinc/45/40/20/1435454020.db2.gz INFPDPGBVOJVCW-HXUWFJFHSA-N 1 1 395.507 3.254 20 5 GGBDMO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000279330195 1435487167 /nfs/dbraw/zinc/48/71/67/1435487167.db2.gz TVURVULWYULIEX-UHFFFAOYSA-N 1 1 387.411 3.354 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000279335650 1435487769 /nfs/dbraw/zinc/48/77/69/1435487769.db2.gz PEKHPFFSAUBMQR-UHFFFAOYSA-N 1 1 398.463 3.388 20 5 GGBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC2(CCOCC2)O1 ZINC000279925561 1435564336 /nfs/dbraw/zinc/56/43/36/1435564336.db2.gz WMRAKEKPLUXVEK-OAHLLOKOSA-N 1 1 387.436 3.062 20 5 GGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000279998075 1435574322 /nfs/dbraw/zinc/57/43/22/1435574322.db2.gz KXVYOWYZRBBISG-LSDHHAIUSA-N 1 1 375.469 3.376 20 5 GGBDMO COc1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000280122808 1435595894 /nfs/dbraw/zinc/59/58/94/1435595894.db2.gz BUCNJISGFDIIHH-CYBMUJFWSA-N 1 1 386.326 3.325 20 5 GGBDMO CN(C(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)c1ccccc1 ZINC000280709073 1435707591 /nfs/dbraw/zinc/70/75/91/1435707591.db2.gz HJSMNVWJEUTAAG-AWEZNQCLSA-N 1 1 380.404 3.221 20 5 GGBDMO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280820446 1435725584 /nfs/dbraw/zinc/72/55/84/1435725584.db2.gz JZBVFIMYXDFQPD-HNNXBMFYSA-N 1 1 397.884 3.397 20 5 GGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281024791 1435758373 /nfs/dbraw/zinc/75/83/73/1435758373.db2.gz OPZGWHSQHNKVKC-KSSFIOAISA-N 1 1 395.419 3.392 20 5 GGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281024791 1435758374 /nfs/dbraw/zinc/75/83/74/1435758374.db2.gz OPZGWHSQHNKVKC-KSSFIOAISA-N 1 1 395.419 3.392 20 5 GGBDMO COc1cc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000281083821 1435771129 /nfs/dbraw/zinc/77/11/29/1435771129.db2.gz JNTOCGSIHRSEQK-OAHLLOKOSA-N 1 1 399.447 3.097 20 5 GGBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000281103105 1435775176 /nfs/dbraw/zinc/77/51/76/1435775176.db2.gz VOBHAVVBXUJADP-MRXNPFEDSA-N 1 1 398.463 3.376 20 5 GGBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000281103098 1435775280 /nfs/dbraw/zinc/77/52/80/1435775280.db2.gz VOBHAVVBXUJADP-INIZCTEOSA-N 1 1 398.463 3.376 20 5 GGBDMO Cc1cc(OCC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000281115146 1435777589 /nfs/dbraw/zinc/77/75/89/1435777589.db2.gz NNJHDFDCQNGWEH-HZPDHXFCSA-N 1 1 375.469 3.051 20 5 GGBDMO C[NH+](C)Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1Cl ZINC000281518672 1435812013 /nfs/dbraw/zinc/81/20/13/1435812013.db2.gz IPAYWTPAKCLJCI-UHFFFAOYSA-N 1 1 391.811 3.333 20 5 GGBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282455794 1435847798 /nfs/dbraw/zinc/84/77/98/1435847798.db2.gz JHEOOIVKRTUUDE-HXUWFJFHSA-N 1 1 396.491 3.084 20 5 GGBDMO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282455794 1435847799 /nfs/dbraw/zinc/84/77/99/1435847799.db2.gz JHEOOIVKRTUUDE-HXUWFJFHSA-N 1 1 396.491 3.084 20 5 GGBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282455788 1435847890 /nfs/dbraw/zinc/84/78/90/1435847890.db2.gz JHEOOIVKRTUUDE-FQEVSTJZSA-N 1 1 396.491 3.084 20 5 GGBDMO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282455788 1435847891 /nfs/dbraw/zinc/84/78/91/1435847891.db2.gz JHEOOIVKRTUUDE-FQEVSTJZSA-N 1 1 396.491 3.084 20 5 GGBDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283270089 1435882204 /nfs/dbraw/zinc/88/22/04/1435882204.db2.gz LEWKFLZHYJONKL-PGGUUEOZSA-N 1 1 389.477 3.354 20 5 GGBDMO CC(=O)c1cc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000283734016 1435913026 /nfs/dbraw/zinc/91/30/26/1435913026.db2.gz IDWXKYFNVZPTON-GASCZTMLSA-N 1 1 375.469 3.123 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000283915669 1435951342 /nfs/dbraw/zinc/95/13/42/1435951342.db2.gz JUETYTZHUOZUEZ-GOSISDBHSA-N 1 1 397.475 3.288 20 5 GGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000283915678 1435952116 /nfs/dbraw/zinc/95/21/16/1435952116.db2.gz JUETYTZHUOZUEZ-SFHVURJKSA-N 1 1 397.475 3.288 20 5 GGBDMO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000284136411 1435997022 /nfs/dbraw/zinc/99/70/22/1435997022.db2.gz ONNBKTSKHCCNQZ-UHFFFAOYSA-N 1 1 375.356 3.438 20 5 GGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000284237548 1436006028 /nfs/dbraw/zinc/00/60/28/1436006028.db2.gz VKWBEFCCUHULKN-LBPRGKRZSA-N 1 1 386.364 3.310 20 5 GGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000284253151 1436007461 /nfs/dbraw/zinc/00/74/61/1436007461.db2.gz WKCFWGDUTPZTIU-LBPRGKRZSA-N 1 1 386.364 3.310 20 5 GGBDMO Cc1nc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164628398 719054392 /nfs/dbraw/zinc/05/43/92/719054392.db2.gz YJMDNHAOHVIFOE-JKSUJKDBSA-N 1 1 387.871 3.447 20 5 GGBDMO Cc1nc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164628392 719054407 /nfs/dbraw/zinc/05/44/07/719054407.db2.gz YJMDNHAOHVIFOE-HOTGVXAUSA-N 1 1 387.871 3.447 20 5 GGBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164629102 719063428 /nfs/dbraw/zinc/06/34/28/719063428.db2.gz VQCVZRHANGPMEN-HOTGVXAUSA-N 1 1 387.871 3.447 20 5 GGBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC001164646223 719307265 /nfs/dbraw/zinc/30/72/65/719307265.db2.gz CKMWIYMMJGEOJD-UHFFFAOYSA-N 1 1 378.864 3.045 20 5 GGBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])c(C)n2)CC3)cs1 ZINC001164691202 719815913 /nfs/dbraw/zinc/81/59/13/719815913.db2.gz AYWSMHMDDXYPDU-UHFFFAOYSA-N 1 1 388.497 3.093 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])C2 ZINC001164811029 720097360 /nfs/dbraw/zinc/09/73/60/720097360.db2.gz NGDVLZJWGNEEKZ-BEFAXECRSA-N 1 1 394.903 3.136 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164811376 720099058 /nfs/dbraw/zinc/09/90/58/720099058.db2.gz ODJQAXKABPBYLG-GCJKJVERSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001164812528 720109205 /nfs/dbraw/zinc/10/92/05/720109205.db2.gz PBPRUDTXPUYGAE-XMSQKQJNSA-N 1 1 396.491 3.328 20 5 GGBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001164818529 720155605 /nfs/dbraw/zinc/15/56/05/720155605.db2.gz TVJLVKNWLIZETP-AVRDEDQJSA-N 1 1 396.491 3.328 20 5 GGBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164725695 720424238 /nfs/dbraw/zinc/42/42/38/720424238.db2.gz AQHYXTOWNKXUAS-PMACEKPBSA-N 1 1 375.432 3.391 20 5 GGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164839174 720555818 /nfs/dbraw/zinc/55/58/18/720555818.db2.gz PSJJIQSDWPDJKG-CEXWTWQISA-N 1 1 398.511 3.181 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]2C ZINC001164858339 720924328 /nfs/dbraw/zinc/92/43/28/720924328.db2.gz MUJHTNLPNNTARY-LBPRGKRZSA-N 1 1 378.864 3.261 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)[C@@H]2C ZINC001164863702 720932441 /nfs/dbraw/zinc/93/24/41/720932441.db2.gz YSEOYENDBYSCNK-CQSZACIVSA-N 1 1 395.467 3.156 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)cc([N+](=O)[O-])n1)[C@@H]2C ZINC001164860051 720949312 /nfs/dbraw/zinc/94/93/12/720949312.db2.gz PMJPUZUAFTXQHM-GFCCVEGCSA-N 1 1 378.864 3.261 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3cc([N+](=O)[O-])ccc31)[C@@H]2C ZINC001164860521 720954205 /nfs/dbraw/zinc/95/42/05/720954205.db2.gz QLXJUPQKJQPTDL-CQSZACIVSA-N 1 1 395.467 3.156 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3ccc([N+](=O)[O-])cc31)[C@@H]2C ZINC001164860451 720954216 /nfs/dbraw/zinc/95/42/16/720954216.db2.gz PUPKRULICZWQSC-CQSZACIVSA-N 1 1 395.467 3.156 20 5 GGBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3cc([N+](=O)[O-])ccc31)[C@H]2C ZINC001164860519 720954258 /nfs/dbraw/zinc/95/42/58/720954258.db2.gz QLXJUPQKJQPTDL-AWEZNQCLSA-N 1 1 395.467 3.156 20 5 GGBDMO O=[N+]([O-])c1ccc2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2c1 ZINC001164781712 721403908 /nfs/dbraw/zinc/40/39/08/721403908.db2.gz CXEYYRJQAXHHGC-GASCZTMLSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1ccc2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2c1 ZINC001164781712 721403911 /nfs/dbraw/zinc/40/39/11/721403911.db2.gz CXEYYRJQAXHHGC-GASCZTMLSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1ccc2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc2c1 ZINC001164781713 721404113 /nfs/dbraw/zinc/40/41/13/721404113.db2.gz CXEYYRJQAXHHGC-GJZGRUSLSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784229 721418827 /nfs/dbraw/zinc/41/88/27/721418827.db2.gz KWAWTTPXEOBFRD-GASCZTMLSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784229 721418830 /nfs/dbraw/zinc/41/88/30/721418830.db2.gz KWAWTTPXEOBFRD-GASCZTMLSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1ccc2ccnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164781798 721422358 /nfs/dbraw/zinc/42/23/58/721422358.db2.gz FERHFFVLSXRVMK-HUUCEWRRSA-N 1 1 381.461 3.168 20 5 GGBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896284 721512198 /nfs/dbraw/zinc/51/21/98/721512198.db2.gz AMYLWLMBOISGNN-ZBFHGGJFSA-N 1 1 392.818 3.124 20 5 GGBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165023995 721800843 /nfs/dbraw/zinc/80/08/43/721800843.db2.gz KPIIEKGOSAEMLG-PWIZWCRZSA-N 1 1 381.480 3.430 20 5 GGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001165025856 721805014 /nfs/dbraw/zinc/80/50/14/721805014.db2.gz POPAOAZGCXDZAE-JCGIZDLHSA-N 1 1 385.443 3.261 20 5 GGBDMO COc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165026308 721805115 /nfs/dbraw/zinc/80/51/15/721805115.db2.gz QORJOLYBMHSSCZ-CGTJXYLNSA-N 1 1 397.479 3.130 20 5 GGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001165025857 721805183 /nfs/dbraw/zinc/80/51/83/721805183.db2.gz POPAOAZGCXDZAE-ZTFGCOKTSA-N 1 1 385.443 3.261 20 5 GGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC001165026903 721808596 /nfs/dbraw/zinc/80/85/96/721808596.db2.gz SDKGJJOZFQGTSR-UCLAIMLFSA-N 1 1 385.443 3.261 20 5 GGBDMO COc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165028258 721809314 /nfs/dbraw/zinc/80/93/14/721809314.db2.gz WTDIABOSZJUGJD-SZMVWBNQSA-N 1 1 397.479 3.130 20 5 GGBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164928842 721860143 /nfs/dbraw/zinc/86/01/43/721860143.db2.gz OPQUSQPPVMGIGZ-JKSUJKDBSA-N 1 1 389.887 3.011 20 5 GGBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164928842 721860144 /nfs/dbraw/zinc/86/01/44/721860144.db2.gz OPQUSQPPVMGIGZ-JKSUJKDBSA-N 1 1 389.887 3.011 20 5 GGBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])cc4C)CC3)C2)cc1 ZINC001164938809 721921289 /nfs/dbraw/zinc/92/12/89/721921289.db2.gz RPTGQXRMZQTWAY-UHFFFAOYSA-N 1 1 396.491 3.478 20 5 GGBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165042436 721924933 /nfs/dbraw/zinc/92/49/33/721924933.db2.gz FAVZYXBMJVTRSR-CQSZACIVSA-N 1 1 376.844 3.097 20 5 GGBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000473524695 721957660 /nfs/dbraw/zinc/95/76/60/721957660.db2.gz PMGZXQXOIAMQLK-UHFFFAOYSA-N 1 1 378.432 3.344 20 5 GGBDMO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967574 722071309 /nfs/dbraw/zinc/07/13/09/722071309.db2.gz QHKQUJJPMUYHFX-OKILXGFUSA-N 1 1 388.855 3.096 20 5 GGBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1 ZINC001164967833 722075694 /nfs/dbraw/zinc/07/56/94/722075694.db2.gz YSNMOUILLKNOSS-GASCZTMLSA-N 1 1 388.855 3.096 20 5 GGBDMO COc1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC001164993884 722198396 /nfs/dbraw/zinc/19/83/96/722198396.db2.gz INQWTMFBODEQDG-FQEVSTJZSA-N 1 1 386.427 3.382 20 5 GGBDMO