smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cc1cncnc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126403128 748708237 /nfs/dbraw/zinc/70/82/37/748708237.db2.gz UINOZAJXACMHKV-UHFFFAOYSA-N 0 3 315.333 0.833 20 5 DCBDHN Cn1cncc1CN1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045436404 753194308 /nfs/dbraw/zinc/19/43/08/753194308.db2.gz QUOFRQOJBNLKES-CHWSQXEVSA-N 0 3 321.381 0.556 20 5 DCBDHN Cc1cnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001086363237 760101558 /nfs/dbraw/zinc/10/15/58/760101558.db2.gz JDHLLRQZNZYMFH-DDHJBXDOSA-N 0 3 308.338 0.633 20 5 DCBDHN COC(=O)CNC(=O)[C@@H]1CCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046271 760561650 /nfs/dbraw/zinc/56/16/50/760561650.db2.gz KFIWAKAPYSHGTL-SRVKXCTJSA-N 0 3 313.354 0.185 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605441 764535674 /nfs/dbraw/zinc/53/56/74/764535674.db2.gz PUBNNHXUQLYWMR-WDNDVIMCSA-N 0 3 305.334 0.693 20 5 DCBDHN Cc1nn(C)c(N2CC[C@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001120071351 766894191 /nfs/dbraw/zinc/89/41/91/766894191.db2.gz SQKVQBIKQDDWGF-RYUDHWBXSA-N 0 3 309.370 0.672 20 5 DCBDHN Cn1c(CCC[N+](=O)[O-])nnc1N1CCN(CC2CC2)CC1 ZINC001121288271 767498628 /nfs/dbraw/zinc/49/86/28/767498628.db2.gz BKYCZSFYOYVLAA-UHFFFAOYSA-N 0 3 308.386 0.556 20 5 DCBDHN O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC001122081831 767711890 /nfs/dbraw/zinc/71/18/90/767711890.db2.gz JULMEQJAXRWFGQ-KBPBESRZSA-N 0 3 317.345 0.899 20 5 DCBDHN Cc1cc(Cl)nc([N-][C@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155570241 770547817 /nfs/dbraw/zinc/54/78/17/770547817.db2.gz LJZUHYDQPVQMDB-JMCQJSRRSA-N 0 3 311.729 0.942 20 5 DCBDHN COc1nc(N2CCO[C@@H](CN3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158306330 771756792 /nfs/dbraw/zinc/75/67/92/771756792.db2.gz XHPPQRVIEHWTEU-NSHDSACASA-N 0 3 323.353 0.694 20 5 DCBDHN C[C@H](Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159501759 771920500 /nfs/dbraw/zinc/92/05/00/771920500.db2.gz XJGSWHFIGZYDNY-IONNQARKSA-N 0 3 302.718 0.670 20 5 DCBDHN CC(=O)Nc1ccc(N(C)S(=O)(=O)CCN)cc1[N+](=O)[O-] ZINC001164297051 772640744 /nfs/dbraw/zinc/64/07/44/772640744.db2.gz IIPQZFNFHAELON-UHFFFAOYSA-N 0 3 316.339 0.278 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)S(=O)(=O)CCN)c1 ZINC001164300175 772641074 /nfs/dbraw/zinc/64/10/74/772641074.db2.gz KDMJHYUBSOQBLZ-UHFFFAOYSA-N 0 3 317.323 0.106 20 5 DCBDHN CCOc1cc(N(C)S(=O)(=O)CCN)ccc1[N+](=O)[O-] ZINC001164300353 772641252 /nfs/dbraw/zinc/64/12/52/772641252.db2.gz NUVCQMFOXVIVBD-UHFFFAOYSA-N 0 3 303.340 0.718 20 5 DCBDHN Cc1nocc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001165672882 772754876 /nfs/dbraw/zinc/75/48/76/772754876.db2.gz DEKAHJISZMIGMQ-UHFFFAOYSA-N 0 3 322.325 0.534 20 5 DCBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CCNC(N)=O ZINC001317662921 945153792 /nfs/dbraw/zinc/15/37/92/945153792.db2.gz RUOFKARHURTWMY-UHFFFAOYSA-N 0 3 323.353 0.201 20 5 DCBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001254548097 946409897 /nfs/dbraw/zinc/40/98/97/946409897.db2.gz GOPYIUBVMVLLOO-DCAQKATOSA-N 0 3 322.365 0.494 20 5 DCBDHN CN1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC001330897134 950745077 /nfs/dbraw/zinc/74/50/77/950745077.db2.gz QVDCDXSQCXNCEU-UHFFFAOYSA-N 0 3 322.369 0.170 20 5 DCBDHN CN1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC001348971396 954553007 /nfs/dbraw/zinc/55/30/07/954553007.db2.gz VBBXGQTXHNALKW-UHFFFAOYSA-N 0 3 321.381 0.775 20 5 DCBDHN CCn1c(C[N+](=O)[O-])nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001356349888 956840193 /nfs/dbraw/zinc/84/01/93/956840193.db2.gz VSWHCONOLXJZGW-GFCCVEGCSA-N 0 3 324.385 0.233 20 5 DCBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC(N[C@H]2CCOC2)C1 ZINC001304086555 960077125 /nfs/dbraw/zinc/07/71/25/960077125.db2.gz YNTSSKREGCWWTG-NSHDSACASA-N 0 3 309.297 0.937 20 5 DCBDHN CN(CCO)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001558359414 1012351243 /nfs/dbraw/zinc/35/12/43/1012351243.db2.gz YWJHLLNYNLPHIY-UHFFFAOYSA-N 0 3 306.322 0.730 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1conc1C ZINC001493289810 1019292571 /nfs/dbraw/zinc/29/25/71/1019292571.db2.gz ASTQGFQZZYNJQG-CHWSQXEVSA-N 0 3 310.354 0.976 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc2c(c1)CNC2 ZINC000188673276 200285138 /nfs/dbraw/zinc/28/51/38/200285138.db2.gz XNBULCLBTJRNPH-UHFFFAOYSA-N 0 3 301.306 0.711 20 5 DCBDHN COc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000315552730 291253595 /nfs/dbraw/zinc/25/35/95/291253595.db2.gz LLBRGPJGNMJJGP-GFCCVEGCSA-N 0 3 307.310 0.346 20 5 DCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CNCCC2(F)F)n1 ZINC000567612213 291364610 /nfs/dbraw/zinc/36/46/10/291364610.db2.gz DGGGFWXEYUMOMT-MRVPVSSYSA-N 0 3 303.269 0.538 20 5 DCBDHN CCn1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1=O ZINC000569448824 291479346 /nfs/dbraw/zinc/47/93/46/291479346.db2.gz BULYYNJQJWLTAX-ZDUSSCGKSA-N 0 3 321.337 0.124 20 5 DCBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346179329 254019314 /nfs/dbraw/zinc/01/93/14/254019314.db2.gz BBOIXLXUNKYSGU-SCRDCRAPSA-N 0 3 321.381 0.980 20 5 DCBDHN CCN(CCN1CCCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000346312894 254035472 /nfs/dbraw/zinc/03/54/72/254035472.db2.gz ZUFCHDADAXHZPX-UHFFFAOYSA-N 0 3 324.385 0.911 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347304953 254146659 /nfs/dbraw/zinc/14/66/59/254146659.db2.gz POHUSHISHAYPPO-CYBMUJFWSA-N 0 3 312.301 0.922 20 5 DCBDHN CN(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000349077602 254271915 /nfs/dbraw/zinc/27/19/15/254271915.db2.gz FTASWXZSJGAFAC-JTQLQIEISA-N 0 3 324.337 0.470 20 5 DCBDHN CN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000556780951 288393846 /nfs/dbraw/zinc/39/38/46/288393846.db2.gz QKRDQGHVDHPZEA-UHFFFAOYSA-N 0 3 310.358 0.075 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC([NH3+])C1 ZINC000036265750 395722919 /nfs/dbraw/zinc/72/29/19/395722919.db2.gz ZUSHPSVXRRIWEV-UHFFFAOYSA-N 0 3 301.324 0.371 20 5 DCBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000115438538 395839933 /nfs/dbraw/zinc/83/99/33/395839933.db2.gz SNKSGJUWKXMTSV-GFCCVEGCSA-N 0 3 322.365 0.557 20 5 DCBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000270698416 395799451 /nfs/dbraw/zinc/79/94/51/395799451.db2.gz HOIJPZCCWYOSJZ-UHFFFAOYSA-N 0 3 323.353 0.693 20 5 DCBDHN CCN1CCCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000150966206 395976450 /nfs/dbraw/zinc/97/64/50/395976450.db2.gz RFLUASAMBZBOMQ-GFCCVEGCSA-N 0 3 324.385 0.965 20 5 DCBDHN COCCNCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000262643414 396167072 /nfs/dbraw/zinc/16/70/72/396167072.db2.gz IHJKBMIJLBKPKQ-UHFFFAOYSA-N 0 3 315.301 0.465 20 5 DCBDHN C[C@]1(C(N)=O)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000280874563 396227073 /nfs/dbraw/zinc/22/70/73/396227073.db2.gz ZTOGKQMDXZFWHR-ABAIWWIYSA-N 0 3 323.349 0.532 20 5 DCBDHN O=C(CNC1(CO)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000264651757 396299384 /nfs/dbraw/zinc/29/93/84/396299384.db2.gz YGKLAOLNJSDMKK-UHFFFAOYSA-N 0 3 309.322 0.664 20 5 DCBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCNCC1 ZINC000269137276 396388576 /nfs/dbraw/zinc/38/85/76/396388576.db2.gz RYNAOKAYBAYKLF-UHFFFAOYSA-N 0 3 307.306 0.802 20 5 DCBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193239326 396446751 /nfs/dbraw/zinc/44/67/51/396446751.db2.gz GNRFDZLCHUULCU-ZETCQYMHSA-N 0 3 319.314 0.383 20 5 DCBDHN COC(=O)NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000496364635 396482217 /nfs/dbraw/zinc/48/22/17/396482217.db2.gz IAOYLXBQRYZHJP-JTQLQIEISA-N 0 3 313.310 0.280 20 5 DCBDHN O=C1C[C@@H](CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CN1 ZINC000595374759 396597365 /nfs/dbraw/zinc/59/73/65/396597365.db2.gz JILBDJAIJXQRBO-GHMZBOCLSA-N 0 3 305.338 0.612 20 5 DCBDHN COc1ccc(CC(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000562981291 396690419 /nfs/dbraw/zinc/69/04/19/396690419.db2.gz AKMCYYKODIPDMG-NSHDSACASA-N 0 3 309.322 0.251 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000588866579 396696924 /nfs/dbraw/zinc/69/69/24/396696924.db2.gz MBHSJUYVAGLNGM-NSHDSACASA-N 0 3 310.354 0.436 20 5 DCBDHN CCC1(CO)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000305684300 396746980 /nfs/dbraw/zinc/74/69/80/396746980.db2.gz ACPKKNXPERISPK-CYBMUJFWSA-N 0 3 312.370 0.637 20 5 DCBDHN CN1CCC[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591747754 396995820 /nfs/dbraw/zinc/99/58/20/396995820.db2.gz FKICHUWDZPKRMI-OCCSQVGLSA-N 0 3 323.349 0.545 20 5 DCBDHN CN1CCC[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591747753 396995912 /nfs/dbraw/zinc/99/59/12/396995912.db2.gz FKICHUWDZPKRMI-JSGCOSHPSA-N 0 3 323.349 0.545 20 5 DCBDHN Cc1c(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000572016423 397014580 /nfs/dbraw/zinc/01/45/80/397014580.db2.gz VDVVJHJHOQIMCI-QWHCGFSZSA-N 0 3 304.350 0.647 20 5 DCBDHN C[C@H](CO)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000593085814 397322365 /nfs/dbraw/zinc/32/23/65/397322365.db2.gz XQCBZHMJUFCBNF-BXUZGUMPSA-N 0 3 312.370 0.493 20 5 DCBDHN CN(CCCNCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000603633281 397618508 /nfs/dbraw/zinc/61/85/08/397618508.db2.gz ZYVSNRWWKZLNHW-UHFFFAOYSA-N 0 3 301.368 0.966 20 5 DCBDHN CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cn1 ZINC000604510026 397641686 /nfs/dbraw/zinc/64/16/86/397641686.db2.gz GYZLMIIFJIAWSV-UHFFFAOYSA-N 0 3 306.326 0.944 20 5 DCBDHN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000118101843 158175777 /nfs/dbraw/zinc/17/57/77/158175777.db2.gz HWELURIXNOLSKF-CYBMUJFWSA-N 0 3 320.349 0.990 20 5 DCBDHN NC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000237890850 287067767 /nfs/dbraw/zinc/06/77/67/287067767.db2.gz ZICYJSHTJFLOQZ-UHFFFAOYSA-N 0 3 324.362 0.432 20 5 DCBDHN CCc1[nH]nc(C(=O)Nc2ccnn2CCN(C)C)c1[N+](=O)[O-] ZINC000294112397 287139165 /nfs/dbraw/zinc/13/91/65/287139165.db2.gz PAUZUWZFSFQVEM-UHFFFAOYSA-N 0 3 321.341 0.891 20 5 DCBDHN NC(=O)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000026711414 415168089 /nfs/dbraw/zinc/16/80/89/415168089.db2.gz WWQPDCCKMYDNBW-ZDUSSCGKSA-N 0 3 323.349 0.532 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCCCNCc1cccnc1 ZINC000120754976 415782189 /nfs/dbraw/zinc/78/21/89/415782189.db2.gz DEQOSQBEDQYWFH-UHFFFAOYSA-N 0 3 318.337 0.482 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000152852067 415971312 /nfs/dbraw/zinc/97/13/12/415971312.db2.gz YHPLRAWSGOBVKF-AWEZNQCLSA-N 0 3 311.338 0.402 20 5 DCBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000152915774 415973254 /nfs/dbraw/zinc/97/32/54/415973254.db2.gz DHAHIMGLNQAVGD-NSHDSACASA-N 0 3 324.385 0.321 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356880934 415999552 /nfs/dbraw/zinc/99/95/52/415999552.db2.gz WJXVDVHYNJEOMK-LLVKDONJSA-N 0 3 324.385 0.084 20 5 DCBDHN CN(C)Cc1ccccc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000338073388 416042648 /nfs/dbraw/zinc/04/26/48/416042648.db2.gz LWIFIXIJRIHNST-UHFFFAOYSA-N 0 3 318.337 0.564 20 5 DCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301137886 416076775 /nfs/dbraw/zinc/07/67/75/416076775.db2.gz DNEZFQJYABCCBU-ZDUSSCGKSA-N 0 3 319.365 0.733 20 5 DCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000584183249 416508673 /nfs/dbraw/zinc/50/86/73/416508673.db2.gz AKSGSRJKQVHFHF-SKDRFNHKSA-N 0 3 322.296 0.118 20 5 DCBDHN NCC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423902468 416586035 /nfs/dbraw/zinc/58/60/35/416586035.db2.gz PBOSYFLEXQZXNA-UHFFFAOYSA-N 0 3 318.337 0.469 20 5 DCBDHN O=C1CCC(=O)N1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369670235 416813743 /nfs/dbraw/zinc/81/37/43/416813743.db2.gz KLBWMOANVHPJAN-UHFFFAOYSA-N 0 3 321.337 0.577 20 5 DCBDHN C[C@H](CN)N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000429321618 416962617 /nfs/dbraw/zinc/96/26/17/416962617.db2.gz YMHCHDDASMRGSE-MRVPVSSYSA-N 0 3 315.351 0.418 20 5 DCBDHN CN(C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC000523717280 417092723 /nfs/dbraw/zinc/09/27/23/417092723.db2.gz DBOZJFSBKGONNH-UHFFFAOYSA-N 0 3 306.326 0.944 20 5 DCBDHN O=C(CNc1ncc([N+](=O)[O-])cn1)NCCN1CCCCCC1 ZINC000431494030 417127591 /nfs/dbraw/zinc/12/75/91/417127591.db2.gz FCIGIYBLUMRLLQ-UHFFFAOYSA-N 0 3 322.369 0.789 20 5 DCBDHN CC(=O)c1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000569021434 417207227 /nfs/dbraw/zinc/20/72/27/417207227.db2.gz YSPHTQNQBSTVDX-YPMHNXCESA-N 0 3 318.333 0.546 20 5 DCBDHN COc1ccc(NC(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000571028475 417414808 /nfs/dbraw/zinc/41/48/08/417414808.db2.gz VAAGBNQZKADJPO-NSHDSACASA-N 0 3 323.353 0.710 20 5 DCBDHN O=C(NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000570564659 417367411 /nfs/dbraw/zinc/36/74/11/417367411.db2.gz ZBFDSNGJQDUOLJ-GFCCVEGCSA-N 0 3 323.349 0.450 20 5 DCBDHN CN1CCN(CCCSc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000578084321 417682475 /nfs/dbraw/zinc/68/24/75/417682475.db2.gz WBNPUGARILLFRK-UHFFFAOYSA-N 0 3 312.399 0.697 20 5 DCBDHN CNc1nccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000579255323 417689929 /nfs/dbraw/zinc/68/99/29/417689929.db2.gz BRIFVTSMJPMIME-ZYHUDNBSSA-N 0 3 321.381 1.444 20 5 DCBDHN CNc1nccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000579970893 417694645 /nfs/dbraw/zinc/69/46/45/417694645.db2.gz OFTHWOOSDRJPJW-MNOVXSKESA-N 0 3 319.365 1.340 20 5 DCBDHN CN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000316576524 261175388 /nfs/dbraw/zinc/17/53/88/261175388.db2.gz LUBCKXFWZBOAED-GBXSZLQWSA-N 0 3 304.350 0.709 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNCCC2(F)F)cc1 ZINC000420436606 280369728 /nfs/dbraw/zinc/36/97/28/280369728.db2.gz BCZMEEPUJJVRRJ-SNVBAGLBSA-N 0 3 321.305 0.870 20 5 DCBDHN Cn1cncc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584586758 337369667 /nfs/dbraw/zinc/36/96/67/337369667.db2.gz WQGJPBDRHMXFOI-ZDUSSCGKSA-N 0 3 306.322 0.858 20 5 DCBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330859334 533899310 /nfs/dbraw/zinc/89/93/10/533899310.db2.gz RFUARFQSYNWHST-JOYOIKCWSA-N 0 3 307.354 0.984 20 5 DCBDHN C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000736758930 598501681 /nfs/dbraw/zinc/50/16/81/598501681.db2.gz KDYCORCQJXANPT-NSHDSACASA-N 0 3 318.341 0.922 20 5 DCBDHN C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000736758930 598501682 /nfs/dbraw/zinc/50/16/82/598501682.db2.gz KDYCORCQJXANPT-NSHDSACASA-N 0 3 318.341 0.922 20 5 DCBDHN Cc1oncc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775810 659557516 /nfs/dbraw/zinc/55/75/16/659557516.db2.gz NERVHTIRPONRCK-LBELIVKGSA-N 0 3 306.322 0.195 20 5 DCBDHN CN(Cc1ccn(C)n1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985429614 662441247 /nfs/dbraw/zinc/44/12/47/662441247.db2.gz AXCOFYDRQSTMQM-ZIAGYGMSSA-N 0 3 321.381 0.508 20 5 DCBDHN Cn1ccc(CN2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001001399882 666042086 /nfs/dbraw/zinc/04/20/86/666042086.db2.gz NXFYUPBAGCKKFI-ZIAGYGMSSA-N 0 3 321.381 0.414 20 5 DCBDHN CN(CCO)CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000884825966 667612787 /nfs/dbraw/zinc/61/27/87/667612787.db2.gz AMQXMFQOGMMSBR-UHFFFAOYSA-N 0 3 311.264 0.683 20 5 DCBDHN CC(C)(NCCn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCCC1 ZINC000796581867 669936025 /nfs/dbraw/zinc/93/60/25/669936025.db2.gz JYCAZVBADUSYTB-UHFFFAOYSA-N 0 3 322.365 0.747 20 5 DCBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](CO)CN1CCCC1 ZINC000808220119 670399156 /nfs/dbraw/zinc/39/91/56/670399156.db2.gz XWMCIICRKXXEDW-ZDUSSCGKSA-N 0 3 307.350 0.710 20 5 DCBDHN CC(COC(=O)[C@H](C)NS(=O)(=O)c1cccs1)[N+](=O)[O-] ZINC000813107300 670611786 /nfs/dbraw/zinc/61/17/86/670611786.db2.gz OUYQEMVOVLRHGL-YUMQZZPRSA-N 0 3 322.364 0.623 20 5 DCBDHN CS(=O)(=O)CCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818971979 671081561 /nfs/dbraw/zinc/08/15/61/671081561.db2.gz DTEHAMHMHHZDRT-GFCCVEGCSA-N 0 3 302.352 0.653 20 5 DCBDHN Cc1noc(CONC(=N)COC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000853726941 671262419 /nfs/dbraw/zinc/26/24/19/671262419.db2.gz ADJSBAYEOQHQHL-VIFPVBQESA-N 0 3 314.298 0.943 20 5 DCBDHN CN(C[C@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591058475 1167097607 /nfs/dbraw/zinc/09/76/07/1167097607.db2.gz REQHBRXWIGQUTR-SECBINFHSA-N 0 3 318.341 0.700 20 5 DCBDHN CN(C[C@H]1CCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591058475 1167097611 /nfs/dbraw/zinc/09/76/11/1167097611.db2.gz REQHBRXWIGQUTR-SECBINFHSA-N 0 3 318.341 0.700 20 5 DCBDHN CN(C[C@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591058475 1167097614 /nfs/dbraw/zinc/09/76/14/1167097614.db2.gz REQHBRXWIGQUTR-SECBINFHSA-N 0 3 318.341 0.700 20 5 DCBDHN CN(C[C@H]1CCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591058475 1167097618 /nfs/dbraw/zinc/09/76/18/1167097618.db2.gz REQHBRXWIGQUTR-SECBINFHSA-N 0 3 318.341 0.700 20 5 DCBDHN CC(C)(C)[NH2+]CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609077104 1170800942 /nfs/dbraw/zinc/80/09/42/1170800942.db2.gz QAKLBSVJAIRRIE-UHFFFAOYSA-N 0 3 306.330 0.970 20 5 DCBDHN CC(C)(C)[NH2+]CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609077104 1170800948 /nfs/dbraw/zinc/80/09/48/1170800948.db2.gz QAKLBSVJAIRRIE-UHFFFAOYSA-N 0 3 306.330 0.970 20 5 DCBDHN O=C(N[C@@H](Cc1nnc[nH]1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001633251039 1171636569 /nfs/dbraw/zinc/63/65/69/1171636569.db2.gz SAXNNSAUJIAUID-GRYCIOLGSA-N 0 3 301.306 0.870 20 5 DCBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC(N[C@H]2CCOC2)C1 ZINC001635935929 1171718205 /nfs/dbraw/zinc/71/82/05/1171718205.db2.gz QMRJXTKVGMUROM-VIFPVBQESA-N 0 3 309.297 0.937 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC001636962465 1171754757 /nfs/dbraw/zinc/75/47/57/1171754757.db2.gz UBFKZUNIOBFOHK-SNVBAGLBSA-N 0 3 308.338 0.364 20 5 DCBDHN COC1(OC)CCOC[C@@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC001644360570 1172006702 /nfs/dbraw/zinc/00/67/02/1172006702.db2.gz XQGTZRQIEJTXTE-JTQLQIEISA-N 0 3 300.315 0.159 20 5 DCBDHN CC(C)(C(=O)N1CC(N[C@H]2CCOC2)C1)n1cc([N+](=O)[O-])cn1 ZINC001652690747 1173774720 /nfs/dbraw/zinc/77/47/20/1173774720.db2.gz MCWMEOKWGONYFY-JTQLQIEISA-N 0 3 323.353 0.116 20 5 DCBDHN CC[C@@H](C)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001654461526 1173804907 /nfs/dbraw/zinc/80/49/07/1173804907.db2.gz NXTXVBWWVVGGBE-OCCSQVGLSA-N 0 3 311.386 0.568 20 5 DCBDHN O=C(CCN1CC[C@@H](O)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654529584 1173806872 /nfs/dbraw/zinc/80/68/72/1173806872.db2.gz UCEGJVFJQHOQRT-OLZOCXBDSA-N 0 3 309.322 0.351 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCCn3nccc32)c1 ZINC001654610998 1173807371 /nfs/dbraw/zinc/80/73/71/1173807371.db2.gz RVEFOXSLCCHJJE-NEPJUHHUSA-N 0 3 306.326 0.473 20 5 DCBDHN COC(=O)NCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124172399 751536153 /nfs/dbraw/zinc/53/61/53/751536153.db2.gz LPJCQAMQAFLJER-UHFFFAOYSA-N 0 3 310.310 0.157 20 5 DCBDHN CCC(=O)NCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124866655 751727750 /nfs/dbraw/zinc/72/77/50/751727750.db2.gz IBLRMBWJZYTTFJ-UHFFFAOYSA-N 0 3 308.338 0.327 20 5 DCBDHN O=C(CN1CCOCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125892429 747996319 /nfs/dbraw/zinc/99/63/19/747996319.db2.gz YHGFRNLRBODFQE-UHFFFAOYSA-N 0 3 322.365 0.133 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1=COCCC1 ZINC001155602220 759983866 /nfs/dbraw/zinc/98/38/66/759983866.db2.gz JKKFJOYGZVIIRV-UHFFFAOYSA-N 0 3 323.353 0.619 20 5 DCBDHN O=C(NC[C@H]1C[C@H](NCc2nncs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363441 760100770 /nfs/dbraw/zinc/10/07/70/760100770.db2.gz UTTZYMDDQQTHEI-ZYUZMQFOSA-N 0 3 311.367 0.188 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H](C)[C@H]2CNCCO2)n1 ZINC001170566168 763846903 /nfs/dbraw/zinc/84/69/03/763846903.db2.gz XJFAWOFEQCXYJX-GZMMTYOYSA-N 0 3 310.310 0.565 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1CCCO ZINC001117826670 766144210 /nfs/dbraw/zinc/14/42/10/766144210.db2.gz UVPUCFORZQCBOF-GFCCVEGCSA-N 0 3 322.365 0.754 20 5 DCBDHN COc1c(O)ccc(CNC[C@H]2COCCN2C)c1[N+](=O)[O-] ZINC001120059427 766891096 /nfs/dbraw/zinc/89/10/96/766891096.db2.gz NQNWWTVRHXRMKA-NSHDSACASA-N 0 3 311.338 0.729 20 5 DCBDHN CC(C)CN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001094291725 768978796 /nfs/dbraw/zinc/97/87/96/768978796.db2.gz SYOUXVFRESPOJV-CHWSQXEVSA-N 0 3 322.369 0.072 20 5 DCBDHN O=C(Cn1cncn1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001175464694 769904536 /nfs/dbraw/zinc/90/45/36/769904536.db2.gz LHNPNRNWDVYAAG-UHFFFAOYSA-N 0 3 318.337 0.482 20 5 DCBDHN COc1ccc(NC(=O)CCN2CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001176464390 770108759 /nfs/dbraw/zinc/10/87/59/770108759.db2.gz WVFSJLFUTRSIDF-JTQLQIEISA-N 0 3 309.322 0.999 20 5 DCBDHN CN(C)C[C@@H]1COCCN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001154974900 770357829 /nfs/dbraw/zinc/35/78/29/770357829.db2.gz ALAQCKAFZOIBBQ-SECBINFHSA-N 0 3 316.745 0.648 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CNCCO2)n1 ZINC001159503348 771920841 /nfs/dbraw/zinc/92/08/41/771920841.db2.gz WMKBYSMYJARKQL-LDYMZIIASA-N 0 3 310.310 0.565 20 5 DCBDHN COc1cc([N+](=O)[O-])c(N(C)S(=O)(=O)CCN)cc1F ZINC001164297177 772640682 /nfs/dbraw/zinc/64/06/82/772640682.db2.gz XGINPHYAPFMORM-UHFFFAOYSA-N 0 3 307.303 0.467 20 5 DCBDHN CCOc1nc(N2CC[C@@H]3NCCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165270668 772713587 /nfs/dbraw/zinc/71/35/87/772713587.db2.gz JGKRNQPIQQSRKZ-JQWIXIFHSA-N 0 3 308.338 0.956 20 5 DCBDHN CC(=O)NCCN1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001111309606 775728799 /nfs/dbraw/zinc/72/87/99/775728799.db2.gz UIQNZTQLGXBLMB-UHFFFAOYSA-N 0 3 323.353 0.708 20 5 DCBDHN Cc1[n-]c(=O)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001228686870 776114310 /nfs/dbraw/zinc/11/43/10/776114310.db2.gz RWSKMYCNKBUNBB-SECBINFHSA-O 0 3 314.318 0.366 20 5 DCBDHN O=C(NC/C=C\CNCc1cc2n(n1)CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001483007990 941772716 /nfs/dbraw/zinc/77/27/16/941772716.db2.gz PXPYBDNCVBTSFD-KOMGFDSOSA-N 0 3 319.365 0.257 20 5 DCBDHN NC(=O)CC(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001264417748 948967439 /nfs/dbraw/zinc/96/74/39/948967439.db2.gz ZUJXRIBHTHZVAB-UMSPYCQHSA-N 0 3 320.349 0.455 20 5 DCBDHN NC(=O)C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001488772868 949170505 /nfs/dbraw/zinc/17/05/05/949170505.db2.gz YFBWUPJJXHYCQE-JGZJWPJOSA-N 0 3 306.322 0.065 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN([C@H]2CCOC2)CC1 ZINC001334558698 952343465 /nfs/dbraw/zinc/34/34/65/952343465.db2.gz PQHSRGDLFIPCSR-LBPRGKRZSA-N 0 3 323.353 0.161 20 5 DCBDHN Cc1ccc([C@H](C)NC(=O)[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC001343337861 953338068 /nfs/dbraw/zinc/33/80/68/953338068.db2.gz WWBPUUKAJAXJKV-FZMZJTMJSA-N 0 3 306.366 0.984 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN[C@H](Cc2ccc(F)cc2)C1 ZINC001454257808 1009023502 /nfs/dbraw/zinc/02/35/02/1009023502.db2.gz APOOWMQWKMEWIV-MGPQQGTHSA-N 0 3 307.325 0.834 20 5 DCBDHN NC(=O)c1ccc(CN[C@@H](CO)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001559909554 1012436120 /nfs/dbraw/zinc/43/61/20/1012436120.db2.gz IVXNAIUUCHSPDG-STQMWFEESA-N 0 3 323.349 0.571 20 5 DCBDHN Cn1cc(CCN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)nn1 ZINC001560066355 1012439756 /nfs/dbraw/zinc/43/97/56/1012439756.db2.gz RMSLTVXNYVBVMZ-CQSZACIVSA-N 0 3 305.338 0.763 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@H]2CCOC2)cc1 ZINC000088694785 185262410 /nfs/dbraw/zinc/26/24/10/185262410.db2.gz LXINQXWNLLTXJC-JTQLQIEISA-N 0 3 315.351 0.252 20 5 DCBDHN Cc1n[nH]c(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000331032230 232385926 /nfs/dbraw/zinc/38/59/26/232385926.db2.gz HMPIBMHEJSNGBZ-SNVBAGLBSA-N 0 3 324.385 0.382 20 5 DCBDHN COC[C@H](CO)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279634336 215020757 /nfs/dbraw/zinc/02/07/57/215020757.db2.gz CGQOAKURGKOHIP-PWSUYJOCSA-N 0 3 311.338 0.909 20 5 DCBDHN C[C@@H](CN(C)C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000286906505 219220324 /nfs/dbraw/zinc/22/03/24/219220324.db2.gz HIDLMWGQDNJDDR-JTQLQIEISA-N 0 3 318.337 0.855 20 5 DCBDHN COC[C@@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173999476 198279191 /nfs/dbraw/zinc/27/91/91/198279191.db2.gz SNNLNUBYUWRDLD-SNVBAGLBSA-N 0 3 317.367 0.498 20 5 DCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000566455261 291303444 /nfs/dbraw/zinc/30/34/44/291303444.db2.gz LKCDRSLHZGDWAZ-OAHLLOKOSA-N 0 3 323.324 0.920 20 5 DCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000566455259 291303449 /nfs/dbraw/zinc/30/34/49/291303449.db2.gz LKCDRSLHZGDWAZ-HNNXBMFYSA-N 0 3 323.324 0.920 20 5 DCBDHN CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1(C)C ZINC000281790703 216545853 /nfs/dbraw/zinc/54/58/53/216545853.db2.gz NZQIYESSNXIAOF-UHFFFAOYSA-N 0 3 309.370 0.679 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425056068 240278529 /nfs/dbraw/zinc/27/85/29/240278529.db2.gz JMIHALIOYMYIEN-NWDGAFQWSA-N 0 3 307.354 0.652 20 5 DCBDHN CN1CC[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000562995975 288614271 /nfs/dbraw/zinc/61/42/71/288614271.db2.gz NDOUSCDXDIHYQH-AAEUAGOBSA-N 0 3 309.322 0.155 20 5 DCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCN(C2CC2)CC1 ZINC000065772740 184379493 /nfs/dbraw/zinc/37/94/93/184379493.db2.gz BRSHEUNZFRSPAH-UHFFFAOYSA-N 0 3 307.354 0.924 20 5 DCBDHN CN(C)C/C=C/C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000271654698 209097957 /nfs/dbraw/zinc/09/79/57/209097957.db2.gz LIXVMLKWOCQJBT-LNMOPNHASA-N 0 3 323.349 0.223 20 5 DCBDHN C[C@H](NCCNC(=O)c1ccn[nH]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285112604 131139244 /nfs/dbraw/zinc/13/92/44/131139244.db2.gz KVTKOWUTIALTMP-VIFPVBQESA-N 0 3 318.337 0.981 20 5 DCBDHN COCCCN(CCOC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270566732 395784245 /nfs/dbraw/zinc/78/42/45/395784245.db2.gz MEXPRZIVKXXWCS-UHFFFAOYSA-N 0 3 313.354 0.741 20 5 DCBDHN CC(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000045801690 395766400 /nfs/dbraw/zinc/76/64/00/395766400.db2.gz XEWDTTJDBVXMQJ-SECBINFHSA-N 0 3 315.351 0.556 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000052093310 395859279 /nfs/dbraw/zinc/85/92/79/395859279.db2.gz WYLOODULZHWKLY-ZETCQYMHSA-N 0 3 305.743 0.888 20 5 DCBDHN COC(=O)[C@@]1(C)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246296924 395946272 /nfs/dbraw/zinc/94/62/72/395946272.db2.gz BSLZUQSPYUSFLY-YPMHNXCESA-N 0 3 312.326 0.037 20 5 DCBDHN C[C@H]1CN(CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCO1 ZINC000277714535 396083314 /nfs/dbraw/zinc/08/33/14/396083314.db2.gz WURHNWGZBQHUHH-JTQLQIEISA-N 0 3 311.342 0.549 20 5 DCBDHN C[C@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000177096723 396166276 /nfs/dbraw/zinc/16/62/76/396166276.db2.gz QSJOCCXFAGIQRX-QWRGUYRKSA-N 0 3 307.354 0.923 20 5 DCBDHN Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000177169565 396168268 /nfs/dbraw/zinc/16/82/68/396168268.db2.gz XNPVEWNWEJCHAL-PSASIEDQSA-N 0 3 307.354 0.992 20 5 DCBDHN C[C@@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CN1C1CC1 ZINC000177188919 396168912 /nfs/dbraw/zinc/16/89/12/396168912.db2.gz SBTOMTORYABSDP-GHMZBOCLSA-N 0 3 320.349 0.498 20 5 DCBDHN C[C@H]1SCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000075749088 396186084 /nfs/dbraw/zinc/18/60/84/396186084.db2.gz CZVSPKSRGVHIHU-FOGDFJRCSA-N 0 3 300.384 0.978 20 5 DCBDHN C[C@]1(C(N)=O)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000280874572 396226780 /nfs/dbraw/zinc/22/67/80/396226780.db2.gz ZTOGKQMDXZFWHR-NHYWBVRUSA-N 0 3 323.349 0.532 20 5 DCBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CN1C1CC1 ZINC000185281870 396323981 /nfs/dbraw/zinc/32/39/81/396323981.db2.gz STOFKFBYRYBCGK-RKDXNWHRSA-N 0 3 305.338 0.927 20 5 DCBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CN1C1CC1 ZINC000185281847 396324101 /nfs/dbraw/zinc/32/41/01/396324101.db2.gz STOFKFBYRYBCGK-IUCAKERBSA-N 0 3 305.338 0.927 20 5 DCBDHN N[C@H]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000594738098 396503425 /nfs/dbraw/zinc/50/34/25/396503425.db2.gz HADMJSUURDLGDB-AAEUAGOBSA-N 0 3 324.768 0.992 20 5 DCBDHN CCN(C)C[C@@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000516315659 396513440 /nfs/dbraw/zinc/51/34/40/396513440.db2.gz QTZSXBJJMZMDQQ-MRVPVSSYSA-N 0 3 312.351 0.679 20 5 DCBDHN CN(CCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000290615953 396467902 /nfs/dbraw/zinc/46/79/02/396467902.db2.gz KNXLITUNXDHLCF-UHFFFAOYSA-N 0 3 324.381 0.914 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](O)Cn1ccnn1 ZINC000595054183 396546094 /nfs/dbraw/zinc/54/60/94/396546094.db2.gz ZAPNEDXMHDJMQH-PWSUYJOCSA-N 0 3 321.337 0.907 20 5 DCBDHN CN1C[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715449 396617434 /nfs/dbraw/zinc/61/74/34/396617434.db2.gz UKROQKBRJJXARW-JQWIXIFHSA-N 0 3 309.322 0.155 20 5 DCBDHN C[C@@H](NCCN1C(=O)CNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294428237 396674126 /nfs/dbraw/zinc/67/41/26/396674126.db2.gz UPRJHXYGTYEIDG-MRVPVSSYSA-N 0 3 307.310 0.379 20 5 DCBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000563433637 396734042 /nfs/dbraw/zinc/73/40/42/396734042.db2.gz PHZUMUBFBHIDPW-KOLCDFICSA-N 0 3 308.313 0.791 20 5 DCBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N(CCO)CCO ZINC000600179243 396750530 /nfs/dbraw/zinc/75/05/30/396750530.db2.gz LNPUVWBKNFAZEQ-NSHDSACASA-N 0 3 311.338 0.599 20 5 DCBDHN Cc1nn(C)c(C)c1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000316712205 396797299 /nfs/dbraw/zinc/79/72/99/396797299.db2.gz KHMCFIRIKCUZBR-GFCCVEGCSA-N 0 3 308.342 0.292 20 5 DCBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000377593230 397107840 /nfs/dbraw/zinc/10/78/40/397107840.db2.gz MJCXTRYGUJTCBQ-VHSXEESVSA-N 0 3 323.353 0.473 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597653781 397046842 /nfs/dbraw/zinc/04/68/42/397046842.db2.gz LYXUIWCYYHDDPP-LBPRGKRZSA-N 0 3 320.349 0.588 20 5 DCBDHN COc1ccc(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000573018679 397126790 /nfs/dbraw/zinc/12/67/90/397126790.db2.gz AGMJHYXEAQAVPI-STQMWFEESA-N 0 3 323.349 0.279 20 5 DCBDHN C[C@H](O)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592429242 397174110 /nfs/dbraw/zinc/17/41/10/397174110.db2.gz ARLORLBVOXPKTA-JTQLQIEISA-N 0 3 302.352 0.729 20 5 DCBDHN CCN1C[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000573676558 397193947 /nfs/dbraw/zinc/19/39/47/397193947.db2.gz GJUJOLLCFOHOER-NWDGAFQWSA-N 0 3 323.349 0.545 20 5 DCBDHN CCCN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000598341901 397216386 /nfs/dbraw/zinc/21/63/86/397216386.db2.gz HZLZLDFKPZZTJW-NSHDSACASA-N 0 3 308.338 0.357 20 5 DCBDHN CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](CN)C1 ZINC000598913885 397306567 /nfs/dbraw/zinc/30/65/67/397306567.db2.gz RHMVWSKFPOQNQE-SNVBAGLBSA-N 0 3 311.317 0.841 20 5 DCBDHN C[NH2+]CCOCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599106692 397338299 /nfs/dbraw/zinc/33/82/99/397338299.db2.gz HJKRGQBHWBKDIV-UHFFFAOYSA-N 0 3 303.340 0.109 20 5 DCBDHN CCN(CCO)CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593612314 397409260 /nfs/dbraw/zinc/40/92/60/397409260.db2.gz KBCZYMLYIXWMJU-UHFFFAOYSA-N 0 3 313.329 0.707 20 5 DCBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CNCCO1 ZINC000578315435 397417911 /nfs/dbraw/zinc/41/79/11/397417911.db2.gz PRUWHPDSMKBBHH-SNVBAGLBSA-N 0 3 309.322 0.712 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594197264 397512348 /nfs/dbraw/zinc/51/23/48/397512348.db2.gz BLGXCFLSJAXGHI-QWRGUYRKSA-N 0 3 308.342 0.319 20 5 DCBDHN COCCNCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000579333627 397552361 /nfs/dbraw/zinc/55/23/61/397552361.db2.gz WPMDYYWDKCOQRA-UHFFFAOYSA-N 0 3 322.365 0.899 20 5 DCBDHN COc1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000579142398 397529399 /nfs/dbraw/zinc/52/93/99/397529399.db2.gz CLKQWKHKEJOPDK-WPRPVWTQSA-N 0 3 324.312 0.491 20 5 DCBDHN CN1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C1 ZINC000609665198 397788649 /nfs/dbraw/zinc/78/86/49/397788649.db2.gz CGZILEGTEANUSL-GFCCVEGCSA-N 0 3 321.381 0.775 20 5 DCBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)C1 ZINC000319399170 159008316 /nfs/dbraw/zinc/00/83/16/159008316.db2.gz DXZHCAWJEUTYRR-CQSZACIVSA-N 0 3 305.338 0.740 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC000368273359 159384821 /nfs/dbraw/zinc/38/48/21/159384821.db2.gz QFDGYMCPUDPGIW-UKRRQHHQSA-N 0 3 324.381 0.901 20 5 DCBDHN C[C@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193401558 287060826 /nfs/dbraw/zinc/06/08/26/287060826.db2.gz YGQRTZSCSIURGI-YUMQZZPRSA-N 0 3 305.381 0.933 20 5 DCBDHN CCN(CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)C ZINC000343309248 415549614 /nfs/dbraw/zinc/54/96/14/415549614.db2.gz WLFMYXQDSNXOGQ-UHFFFAOYSA-N 0 3 310.354 0.603 20 5 DCBDHN COc1cc(CNC[C@@H]2CC[C@H](CO)O2)c([N+](=O)[O-])cc1O ZINC000353690972 415627964 /nfs/dbraw/zinc/62/79/64/415627964.db2.gz SLOBMKXGTPXGRO-WDEREUQCSA-N 0 3 312.322 0.939 20 5 DCBDHN Cc1cnn([C@@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000289869929 415729166 /nfs/dbraw/zinc/72/91/66/415729166.db2.gz LRASWZFDSZTCTD-OCCSQVGLSA-N 0 3 320.353 0.604 20 5 DCBDHN Cn1c(C(=O)NCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000344873946 416000844 /nfs/dbraw/zinc/00/08/44/416000844.db2.gz MDEBNOQUCSGBKI-UHFFFAOYSA-N 0 3 309.370 0.301 20 5 DCBDHN CNS(=O)(=O)c1ccc(NC[C@@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000298282391 415999752 /nfs/dbraw/zinc/99/97/52/415999752.db2.gz GEVYCJLPSUSOPD-SECBINFHSA-N 0 3 316.383 0.865 20 5 DCBDHN CN(C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])nn2C)CCSC1 ZINC000357042138 416025774 /nfs/dbraw/zinc/02/57/74/416025774.db2.gz GCTWCHMCWMTQQP-GFCCVEGCSA-N 0 3 313.383 0.495 20 5 DCBDHN COc1ccc(CNC(=O)C(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000298857950 416034133 /nfs/dbraw/zinc/03/41/33/416034133.db2.gz OULLXJXORLHHHJ-MRVPVSSYSA-N 0 3 316.335 0.653 20 5 DCBDHN COc1ccc(NC(=O)C(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000357577410 416099143 /nfs/dbraw/zinc/09/91/43/416099143.db2.gz AUOZORJMBMDJHL-SECBINFHSA-N 0 3 324.337 0.608 20 5 DCBDHN C[C@H](CN(C)C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000357583612 416100446 /nfs/dbraw/zinc/10/04/46/416100446.db2.gz PXCATEKGCOWITE-MRVPVSSYSA-N 0 3 312.301 0.739 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](CN3CCOCC3)C2)n1 ZINC000176240535 416122397 /nfs/dbraw/zinc/12/23/97/416122397.db2.gz HBIRPULHEXHXID-CQSZACIVSA-N 0 3 323.397 0.836 20 5 DCBDHN COc1cc(S(=O)(=O)N2CCCNCC2)ccc1[N+](=O)[O-] ZINC000178891297 416176639 /nfs/dbraw/zinc/17/66/39/416176639.db2.gz DOZFOVLFLRPAJT-UHFFFAOYSA-N 0 3 315.351 0.587 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000358703606 416270485 /nfs/dbraw/zinc/27/04/85/416270485.db2.gz HBNPFQYIMLYQMK-OAHLLOKOSA-N 0 3 322.365 0.503 20 5 DCBDHN CN(C)CCOC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000351830487 416283167 /nfs/dbraw/zinc/28/31/67/416283167.db2.gz SIMRVPUVKYWDKX-UHFFFAOYSA-N 0 3 310.358 0.514 20 5 DCBDHN Cn1ncc2c1CCC[C@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583435429 416463245 /nfs/dbraw/zinc/46/32/45/416463245.db2.gz CFSHCKPZZYVHGG-DGCLKSJQSA-N 0 3 320.353 0.553 20 5 DCBDHN CNc1ccc(C(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000533110515 416474734 /nfs/dbraw/zinc/47/47/34/416474734.db2.gz VINJUXYTANDXOZ-AWEZNQCLSA-N 0 3 310.354 0.679 20 5 DCBDHN CNc1nccc(C(=O)NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000590422882 416527604 /nfs/dbraw/zinc/52/76/04/416527604.db2.gz KCYIAOKKYHFTST-LLVKDONJSA-N 0 3 321.381 1.493 20 5 DCBDHN CCO[C@@H]1COCC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000362027198 416546802 /nfs/dbraw/zinc/54/68/02/416546802.db2.gz NRJSKZYETZWBMT-CHWSQXEVSA-N 0 3 311.338 0.540 20 5 DCBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC000423998075 416603457 /nfs/dbraw/zinc/60/34/57/416603457.db2.gz ZJQIMCWFMNQGLK-NSHDSACASA-N 0 3 308.338 0.501 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596198253 416580340 /nfs/dbraw/zinc/58/03/40/416580340.db2.gz YFQNWXBRWRHDRV-NSHDSACASA-N 0 3 308.386 1.010 20 5 DCBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)Cn1ccnn1 ZINC000514951496 416686063 /nfs/dbraw/zinc/68/60/63/416686063.db2.gz LOUJCLWSGCAFRW-MFKMUULPSA-N 0 3 303.322 0.824 20 5 DCBDHN CC(=O)N1CC[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000516276918 416720031 /nfs/dbraw/zinc/72/00/31/416720031.db2.gz QHRGZQLGIUUFMM-STQMWFEESA-N 0 3 323.349 0.545 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000516563026 416725907 /nfs/dbraw/zinc/72/59/07/416725907.db2.gz OLIFDUFXWIRDCC-VIFPVBQESA-N 0 3 323.305 0.084 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CO)CC(F)(F)F)c1 ZINC000518374753 416853954 /nfs/dbraw/zinc/85/39/54/416853954.db2.gz GQUBAFHRGIWNCU-IONNQARKSA-N 0 3 312.248 0.055 20 5 DCBDHN CCN1CCC(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000561100068 416856601 /nfs/dbraw/zinc/85/66/01/416856601.db2.gz DHZBJNAXATUBMJ-UHFFFAOYSA-N 0 3 307.354 1.246 20 5 DCBDHN NC(=O)NC(=O)CCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735629 416944139 /nfs/dbraw/zinc/94/41/39/416944139.db2.gz LATDGSGMEMIEKD-UHFFFAOYSA-N 0 3 306.322 0.928 20 5 DCBDHN O=C(C[C@@H]1CNCCO1)NCCNc1ccccc1[N+](=O)[O-] ZINC000429776889 416997345 /nfs/dbraw/zinc/99/73/45/416997345.db2.gz UYBFPVNMSCCVJI-LLVKDONJSA-N 0 3 308.338 0.501 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CNC[C@H]1CCCO1 ZINC000429967946 417008115 /nfs/dbraw/zinc/00/81/15/417008115.db2.gz GUBQTXNZZLAAIH-CYBMUJFWSA-N 0 3 323.349 0.988 20 5 DCBDHN COc1cc(CNC[C@@H]2CNCCN2C)c([N+](=O)[O-])cc1OC ZINC000414959989 417317053 /nfs/dbraw/zinc/31/70/53/417317053.db2.gz GMXOCQNDSUQBIM-LBPRGKRZSA-N 0 3 324.381 0.605 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N[C@H](CN)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000419152044 262313659 /nfs/dbraw/zinc/31/36/59/262313659.db2.gz NWIRIQZJIAHWPX-BXKDBHETSA-N 0 3 320.349 0.626 20 5 DCBDHN CN(CCC(=O)N1CCNCC1)CCc1ccccc1[N+](=O)[O-] ZINC000420371162 262372035 /nfs/dbraw/zinc/37/20/35/262372035.db2.gz KHVLCKAFRRVKEP-UHFFFAOYSA-N 0 3 320.393 0.891 20 5 DCBDHN C[C@@H]1CNCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420219229 271367359 /nfs/dbraw/zinc/36/73/59/271367359.db2.gz POSKZQDFBNBCHX-SSDOTTSWSA-N 0 3 305.381 0.858 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H]2COCCO2)c1 ZINC000555575438 288357158 /nfs/dbraw/zinc/35/71/58/288357158.db2.gz JWOKNEDPMAPTNO-TZMCWYRMSA-N 0 3 312.322 0.340 20 5 DCBDHN Cn1c(C(=O)NC[C@@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000560506435 288508534 /nfs/dbraw/zinc/50/85/34/288508534.db2.gz XUSCSTOJNWXIFQ-CQSZACIVSA-N 0 3 308.338 0.120 20 5 DCBDHN [NH3+]C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCC1 ZINC000564958093 288797575 /nfs/dbraw/zinc/79/75/75/288797575.db2.gz JFHLUWGLLAEORB-UHFFFAOYSA-N 0 3 314.367 0.930 20 5 DCBDHN CCN1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000580064434 332923459 /nfs/dbraw/zinc/92/34/59/332923459.db2.gz CXHJKLMHYZFEOL-DGCLKSJQSA-N 0 3 323.349 0.545 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381454298 332657576 /nfs/dbraw/zinc/65/75/76/332657576.db2.gz HQDIBTRPUVHFGG-SFYZADRCSA-N 0 3 303.340 0.617 20 5 DCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@]1(O)CN2CCC1CC2 ZINC000583278932 337302504 /nfs/dbraw/zinc/30/25/04/337302504.db2.gz ZIHZPRQYMHFGPC-INIZCTEOSA-N 0 3 319.361 0.710 20 5 DCBDHN Cc1n[n-]c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266219790 525465606 /nfs/dbraw/zinc/46/56/06/525465606.db2.gz LKNZGNDRFHIOFM-LLVKDONJSA-N 0 3 323.353 0.421 20 5 DCBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000157392520 525930349 /nfs/dbraw/zinc/93/03/49/525930349.db2.gz KHUVBJZHGMDQMT-JTQLQIEISA-N 0 3 315.351 0.170 20 5 DCBDHN C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736858887 598503765 /nfs/dbraw/zinc/50/37/65/598503765.db2.gz VLWNGFUHLVRABS-SECBINFHSA-N 0 3 318.341 0.924 20 5 DCBDHN C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736858887 598503766 /nfs/dbraw/zinc/50/37/66/598503766.db2.gz VLWNGFUHLVRABS-SECBINFHSA-N 0 3 318.341 0.924 20 5 DCBDHN C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736858887 598503767 /nfs/dbraw/zinc/50/37/67/598503767.db2.gz VLWNGFUHLVRABS-SECBINFHSA-N 0 3 318.341 0.924 20 5 DCBDHN C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736858887 598503768 /nfs/dbraw/zinc/50/37/68/598503768.db2.gz VLWNGFUHLVRABS-SECBINFHSA-N 0 3 318.341 0.924 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CCc2ccns2)CC1 ZINC000981138701 661085561 /nfs/dbraw/zinc/08/55/61/661085561.db2.gz ZCWXNWKHAZXYCA-CHWSQXEVSA-N 0 3 324.406 0.885 20 5 DCBDHN C[C@@]1(NC(=O)CCn2cc([N+](=O)[O-])cn2)CN2CCC1CC2 ZINC000892788437 659457481 /nfs/dbraw/zinc/45/74/81/659457481.db2.gz CFDGBLANSLGAFC-CQSZACIVSA-N 0 3 307.354 0.782 20 5 DCBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000726163829 661652387 /nfs/dbraw/zinc/65/23/87/661652387.db2.gz OEKRXXLYOAQOKD-WDEREUQCSA-N 0 3 323.353 0.230 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)CCO)c1 ZINC000912608335 664193671 /nfs/dbraw/zinc/19/36/71/664193671.db2.gz GFTZVHYNJSQXRU-UHFFFAOYSA-N 0 3 311.338 0.600 20 5 DCBDHN COc1cccc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031661996 665273317 /nfs/dbraw/zinc/27/33/17/665273317.db2.gz QMDWOUYTFWMFBA-HUUCEWRRSA-N 0 3 319.361 0.908 20 5 DCBDHN O=C(NC1CCN(Cc2ccns2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002788084 666221979 /nfs/dbraw/zinc/22/19/79/666221979.db2.gz NCSNDEFUZHBTPN-VXGBXAGGSA-N 0 3 310.379 0.889 20 5 DCBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2cnn(C)c2)CC1 ZINC001005378048 666838733 /nfs/dbraw/zinc/83/87/33/666838733.db2.gz IBPVTRMWIXDCIF-ZIAGYGMSSA-N 0 3 321.381 0.508 20 5 DCBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000885873812 667715205 /nfs/dbraw/zinc/71/52/05/667715205.db2.gz ZQVDRUZQOAVVIO-GFCCVEGCSA-N 0 3 320.349 0.973 20 5 DCBDHN O=[N+]([O-])c1ccc(CCN2CCC(O)(COCCO)CC2)cc1 ZINC000886740561 667794967 /nfs/dbraw/zinc/79/49/67/667794967.db2.gz ANFPRBJHCNYBDR-UHFFFAOYSA-N 0 3 324.377 0.973 20 5 DCBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930441005 669018057 /nfs/dbraw/zinc/01/80/57/669018057.db2.gz QIUCGTWNCMGUKL-GOEBONIOSA-N 0 3 324.377 0.972 20 5 DCBDHN CCC1(CC)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C1=O ZINC000813110719 670612070 /nfs/dbraw/zinc/61/20/70/670612070.db2.gz IBGMOAMZVFVMOA-MRVPVSSYSA-N 0 3 301.299 0.305 20 5 DCBDHN Cc1ccc(CNC(=O)C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000867323925 672073169 /nfs/dbraw/zinc/07/31/69/672073169.db2.gz MXIRHKNSRPTVIL-UHFFFAOYSA-N 0 3 322.365 0.539 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001580667615 1165681294 /nfs/dbraw/zinc/68/12/94/1165681294.db2.gz YLSOKEFZZCNVOQ-JTQLQIEISA-N 0 3 304.306 0.794 20 5 DCBDHN CC(C)[C@@H](CO)[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589763270 1166684041 /nfs/dbraw/zinc/68/40/41/1166684041.db2.gz YLRUXWAKAWCTJO-LLVKDONJSA-N 0 3 306.326 0.881 20 5 DCBDHN CC(C)[C@@H](CO)[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589763270 1166684042 /nfs/dbraw/zinc/68/40/42/1166684042.db2.gz YLRUXWAKAWCTJO-LLVKDONJSA-N 0 3 306.326 0.881 20 5 DCBDHN CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591168102 1167121990 /nfs/dbraw/zinc/12/19/90/1167121990.db2.gz DZOMAWKVGKNSHO-UHFFFAOYSA-N 0 3 303.326 0.773 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001597700911 1168010937 /nfs/dbraw/zinc/01/09/37/1168010937.db2.gz LXAKQRQTWQHQJP-VIFPVBQESA-N 0 3 306.322 0.380 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001607077650 1170381858 /nfs/dbraw/zinc/38/18/58/1170381858.db2.gz QDANZVVMSIOMQH-VXGBXAGGSA-N 0 3 315.337 0.426 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001607077650 1170381865 /nfs/dbraw/zinc/38/18/65/1170381865.db2.gz QDANZVVMSIOMQH-VXGBXAGGSA-N 0 3 315.337 0.426 20 5 DCBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001637266144 1171762192 /nfs/dbraw/zinc/76/21/92/1171762192.db2.gz OFOARTAKMAVPMX-GHMZBOCLSA-N 0 3 305.338 0.881 20 5 DCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCO)C2CCN(C)CC2)n1 ZINC001643946355 1171992653 /nfs/dbraw/zinc/99/26/53/1171992653.db2.gz OVPHOGPDWRNKCN-UHFFFAOYSA-N 0 3 322.365 0.827 20 5 DCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)n1 ZINC001644702506 1172016470 /nfs/dbraw/zinc/01/64/70/1172016470.db2.gz GFKHQZCGBCEKKT-WCQYABFASA-N 0 3 320.349 0.579 20 5 DCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)CN1CCO ZINC001659064042 1173928137 /nfs/dbraw/zinc/92/81/37/1173928137.db2.gz IQLCEGHDSKRNNZ-CHWSQXEVSA-N 0 3 324.381 0.143 20 5 DCBDHN O=C(NCC=CCNCc1csc([N+](=O)[O-])c1)c1ncn[nH]1 ZINC001699318569 1178061270 /nfs/dbraw/zinc/06/12/70/1178061270.db2.gz AHZYQONBQHIUGP-OWOJBTEDSA-N 0 3 322.350 0.850 20 5 DCBDHN O=C(NCC=CCNCc1csc([N+](=O)[O-])c1)c1nc[nH]n1 ZINC001699318569 1178061279 /nfs/dbraw/zinc/06/12/79/1178061279.db2.gz AHZYQONBQHIUGP-OWOJBTEDSA-N 0 3 322.350 0.850 20 5 DCBDHN CN(CCCNC(=O)CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001712940170 1180568999 /nfs/dbraw/zinc/56/89/99/1180568999.db2.gz TXQUZNVZTZQTGX-UHFFFAOYSA-N 0 3 308.338 0.408 20 5 DCBDHN Cc1n[nH]c(C(C)C)c1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001742404593 1187976827 /nfs/dbraw/zinc/97/68/27/1187976827.db2.gz NFUFWPMANHKRMM-NXEZZACHSA-N 0 3 323.353 0.353 20 5 DCBDHN Cc1cnc(CNCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC001754370549 1188835443 /nfs/dbraw/zinc/83/54/43/1188835443.db2.gz GEKMSOZNJZQKQL-VXGBXAGGSA-N 0 3 307.354 0.388 20 5 DCBDHN O=C(NCCNCc1nc2ccc(F)cc2o1)[C@@H]1CC1[N+](=O)[O-] ZINC001126938474 750151517 /nfs/dbraw/zinc/15/15/17/750151517.db2.gz ANOFFEAWTPEBNI-MWLCHTKSSA-N 0 3 322.296 0.838 20 5 DCBDHN COc1nscc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938562 750151948 /nfs/dbraw/zinc/15/19/48/750151948.db2.gz FPHUFUYMRZWINJ-RKDXNWHRSA-N 0 3 300.340 0.023 20 5 DCBDHN COC(=O)c1nc(Cl)nc(N(C)CCN(C)C)c1[N+](=O)[O-] ZINC001163590155 755171873 /nfs/dbraw/zinc/17/18/73/755171873.db2.gz TYTUCQKPEIYQAZ-UHFFFAOYSA-N 0 3 317.733 0.823 20 5 DCBDHN COC[C@@]1(CO)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001170352481 762613065 /nfs/dbraw/zinc/61/30/65/762613065.db2.gz WEGQVGZRYQWZCO-AWEZNQCLSA-N 0 3 311.338 0.087 20 5 DCBDHN COCCCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001155044897 759377459 /nfs/dbraw/zinc/37/74/59/759377459.db2.gz NLNNWTLJWRTFGH-UHFFFAOYSA-N 0 3 313.358 0.351 20 5 DCBDHN CN(c1ncnc2cc([N+](=O)[O-])ccc21)S(=O)(=O)CCN ZINC001156236388 760518583 /nfs/dbraw/zinc/51/85/83/760518583.db2.gz IDNOGWSTAHECNB-UHFFFAOYSA-N 0 3 311.323 0.263 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ncccn1 ZINC001168942158 760519109 /nfs/dbraw/zinc/51/91/09/760519109.db2.gz DVWUDYFTRNJXRM-UHFFFAOYSA-N 0 3 319.325 0.028 20 5 DCBDHN CN(C)C(=O)c1nn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169018375 760559118 /nfs/dbraw/zinc/55/91/18/760559118.db2.gz AVVXYEHLNMRPIC-QWRGUYRKSA-N 0 3 321.381 0.849 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1n[nH]cc1F ZINC001133479129 764982377 /nfs/dbraw/zinc/98/23/77/764982377.db2.gz QSLVFIWJYRQVGE-UHFFFAOYSA-N 0 3 307.285 0.977 20 5 DCBDHN O=C(CCc1cn[nH]n1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001134013697 765298920 /nfs/dbraw/zinc/29/89/20/765298920.db2.gz BFFGGFQQGTVTHI-UHFFFAOYSA-N 0 3 324.366 0.613 20 5 DCBDHN O=C(CCc1c[nH]nn1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001134013697 765298924 /nfs/dbraw/zinc/29/89/24/765298924.db2.gz BFFGGFQQGTVTHI-UHFFFAOYSA-N 0 3 324.366 0.613 20 5 DCBDHN O=C(CCc1cn[nH]n1)NCCNCc1ccccc1[N+](=O)[O-] ZINC001134013907 765300612 /nfs/dbraw/zinc/30/06/12/765300612.db2.gz HRMUKPHRVLCTNA-UHFFFAOYSA-N 0 3 318.337 0.552 20 5 DCBDHN O=C(Cc1c[nH]cn1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001134406979 765508230 /nfs/dbraw/zinc/50/82/30/765508230.db2.gz KWQMHPSUFYQTAQ-UHFFFAOYSA-N 0 3 303.322 0.766 20 5 DCBDHN CNC(=O)C1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001135250851 765856573 /nfs/dbraw/zinc/85/65/73/765856573.db2.gz WXPCWPWEGJTPJH-UHFFFAOYSA-N 0 3 320.349 0.327 20 5 DCBDHN CC(=O)NCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154199093 770107902 /nfs/dbraw/zinc/10/79/02/770107902.db2.gz BPFULJSCLXZLEY-UHFFFAOYSA-N 0 3 314.367 0.388 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001157003440 771516419 /nfs/dbraw/zinc/51/64/19/771516419.db2.gz DGVJRUNKLMMOEU-SNVBAGLBSA-N 0 3 315.757 0.829 20 5 DCBDHN O=[N+]([O-])c1cc[n+]([O-])c(N2CCO[C@H](CN3CCCC3)C2)c1 ZINC001158306287 771756487 /nfs/dbraw/zinc/75/64/87/771756487.db2.gz WEOJIXNNJVEWNG-CYBMUJFWSA-N 0 3 308.338 0.529 20 5 DCBDHN Nc1nc(NC[C@@H]2CCN2C2CCOCC2)ncc1[N+](=O)[O-] ZINC001187715707 772214729 /nfs/dbraw/zinc/21/47/29/772214729.db2.gz BLXIHWXAXZQCHT-JTQLQIEISA-N 0 3 308.342 0.632 20 5 DCBDHN CCN(CC)CCNC(=N)Nc1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001163128605 772468961 /nfs/dbraw/zinc/46/89/61/772468961.db2.gz MYMCEXQMQWFWBU-UHFFFAOYSA-N 0 3 310.358 0.815 20 5 DCBDHN COc1ccc2ncc([N+](=O)[O-])c(NCCN(C)CCO)c2c1 ZINC001164120735 772614499 /nfs/dbraw/zinc/61/44/99/772614499.db2.gz ZWSGIZZHFXAPFZ-UHFFFAOYSA-N 0 3 320.349 0.910 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(N[C@@H]3CCOC3)C2)c1 ZINC001164234475 772629116 /nfs/dbraw/zinc/62/91/16/772629116.db2.gz PFOVJYAZPMUKQW-LLVKDONJSA-N 0 3 321.333 0.949 20 5 DCBDHN COc1cc(C)nc(N2CC[C@@H]3NCCO[C@H]3C2)c1[N+](=O)[O-] ZINC001165271423 772714236 /nfs/dbraw/zinc/71/42/36/772714236.db2.gz UCNOBZFKLORKEL-JQWIXIFHSA-N 0 3 308.338 0.874 20 5 DCBDHN CN(Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C(=O)CN ZINC001211362114 773795410 /nfs/dbraw/zinc/79/54/10/773795410.db2.gz PSSPEVFEEGBRQQ-UHFFFAOYSA-N 0 3 310.245 0.096 20 5 DCBDHN O=C(NCC1(NCc2cnon2)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530821 776095850 /nfs/dbraw/zinc/09/58/50/776095850.db2.gz SXFCHFBQFOLSIM-VXGBXAGGSA-N 0 3 323.353 0.644 20 5 DCBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cnn(C)n1 ZINC001266888475 939266418 /nfs/dbraw/zinc/26/64/18/939266418.db2.gz SBQRFGIFPQJVAY-UHFFFAOYSA-N 0 3 318.337 0.585 20 5 DCBDHN COC(=O)CNC(=O)[C@H](C)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588469 946411473 /nfs/dbraw/zinc/41/14/73/946411473.db2.gz ZGWURAMNUCFQQE-CABZTGNLSA-N 0 3 321.333 0.329 20 5 DCBDHN CN(CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001325821515 947937025 /nfs/dbraw/zinc/93/70/25/947937025.db2.gz NQACUXHUWMSLIJ-UHFFFAOYSA-N 0 3 320.349 0.421 20 5 DCBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)n1 ZINC001328827368 949119478 /nfs/dbraw/zinc/11/94/78/949119478.db2.gz IHXRXKDHKUQIKR-LLVKDONJSA-N 0 3 323.353 0.311 20 5 DCBDHN Cc1ccc(CNC(=O)N2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC001334229480 952264663 /nfs/dbraw/zinc/26/46/63/952264663.db2.gz KQBQBFUQCNLVLI-UHFFFAOYSA-N 0 3 320.349 0.787 20 5 DCBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1COC2(CNC2)C1 ZINC001340615474 953182801 /nfs/dbraw/zinc/18/28/01/953182801.db2.gz OKFGFXXEVCFVDE-GCLPIYDQSA-N 0 3 303.318 0.855 20 5 DCBDHN C[C@H](NC(=O)C(=O)N(C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC001340800290 953195614 /nfs/dbraw/zinc/19/56/14/953195614.db2.gz OHKRIPGGQITTCO-NSHDSACASA-N 0 3 322.365 0.792 20 5 DCBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CNCCN1C)CC2 ZINC001341808663 953252217 /nfs/dbraw/zinc/25/22/17/953252217.db2.gz DXXOHTZGHOXGGU-CQSZACIVSA-N 0 3 304.350 0.696 20 5 DCBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001342767731 953307031 /nfs/dbraw/zinc/30/70/31/953307031.db2.gz KSNBZYLXBXJGFD-UHFFFAOYSA-N 0 3 310.354 0.681 20 5 DCBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC001343673541 953363233 /nfs/dbraw/zinc/36/32/33/953363233.db2.gz PIMJVZKAYLHDAK-LBPRGKRZSA-N 0 3 311.313 0.771 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)CNCCO2 ZINC001345120329 953597027 /nfs/dbraw/zinc/59/70/27/953597027.db2.gz QPRAADSTMUBEMI-UHFFFAOYSA-N 0 3 308.338 0.528 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001347858255 954174314 /nfs/dbraw/zinc/17/43/14/954174314.db2.gz ZTLQFGPUTQMULV-NSHDSACASA-N 0 3 323.353 0.311 20 5 DCBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001463747245 1013161437 /nfs/dbraw/zinc/16/14/37/1013161437.db2.gz MOOYORVJTGGWEV-RKDXNWHRSA-N 0 3 317.371 0.041 20 5 DCBDHN CNS(=O)(=O)CCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001308487571 960178080 /nfs/dbraw/zinc/17/80/80/960178080.db2.gz XPNYTJKVZWEIMR-UHFFFAOYSA-N 0 3 317.367 0.632 20 5 DCBDHN COc1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001558548568 1012366476 /nfs/dbraw/zinc/36/64/76/1012366476.db2.gz DIVOYKZDYSNWRZ-LLVKDONJSA-N 0 3 321.333 0.806 20 5 DCBDHN C[C@](CO)(NCCCS(N)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC001560066177 1012438702 /nfs/dbraw/zinc/43/87/02/1012438702.db2.gz KYBADNJGDMXDEY-GFCCVEGCSA-N 0 3 317.367 0.071 20 5 DCBDHN C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000272640087 210043480 /nfs/dbraw/zinc/04/34/80/210043480.db2.gz BAJSWRLJUQYEFO-LLVKDONJSA-N 0 3 322.369 0.741 20 5 DCBDHN CNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279922492 215239965 /nfs/dbraw/zinc/23/99/65/215239965.db2.gz KVAUBVJNWCVRDA-ZETCQYMHSA-N 0 3 315.307 0.213 20 5 DCBDHN C[C@@H](CN(C)C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000287265149 219415898 /nfs/dbraw/zinc/41/58/98/219415898.db2.gz SBZTXRGRVNVNMT-JTQLQIEISA-N 0 3 309.322 0.852 20 5 DCBDHN CCOC(=O)[C@@H]1NCC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000566091300 291268434 /nfs/dbraw/zinc/26/84/34/291268434.db2.gz TZHJWDYTZCJJJR-ZIAGYGMSSA-N 0 3 323.349 0.857 20 5 DCBDHN Cc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc(C)n1 ZINC000567104494 291337208 /nfs/dbraw/zinc/33/72/08/291337208.db2.gz PYWNFMFZMSYNBC-CQSZACIVSA-N 0 3 305.338 0.954 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(C2CC2)C1 ZINC000489918125 241102426 /nfs/dbraw/zinc/10/24/26/241102426.db2.gz MHLDLOPTWXWCSE-JTQLQIEISA-N 0 3 308.342 0.327 20 5 DCBDHN CC(C)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339814512 253149627 /nfs/dbraw/zinc/14/96/27/253149627.db2.gz RXEGOVAAUZZFOV-ZIAGYGMSSA-N 0 3 312.370 0.899 20 5 DCBDHN COCCN1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000340999949 253334006 /nfs/dbraw/zinc/33/40/06/253334006.db2.gz XUEUBWBQEGKIAY-GFCCVEGCSA-N 0 3 322.365 0.844 20 5 DCBDHN COC(=O)c1cc(CNCCn2cc([N+](=O)[O-])cn2)cn1C ZINC000348093473 254220150 /nfs/dbraw/zinc/22/01/50/254220150.db2.gz ADBKFJZMTYVFTQ-UHFFFAOYSA-N 0 3 307.310 0.706 20 5 DCBDHN CN(C)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000352053381 254393142 /nfs/dbraw/zinc/39/31/42/254393142.db2.gz SPQQKNIBLBMXLI-LLVKDONJSA-N 0 3 323.353 0.246 20 5 DCBDHN COC(=O)CC[C@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000289731623 221187121 /nfs/dbraw/zinc/18/71/21/221187121.db2.gz GQNIXJHXSKZGDU-VIFPVBQESA-N 0 3 321.293 0.690 20 5 DCBDHN CN(C)C1(CN(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC1 ZINC000275755543 130380885 /nfs/dbraw/zinc/38/08/85/130380885.db2.gz CAUPYMWMXQSFAS-UHFFFAOYSA-N 0 3 322.365 0.699 20 5 DCBDHN CN(CCc1ccccc1[N+](=O)[O-])CCN1C(=O)CNC1=O ZINC000285225865 131149599 /nfs/dbraw/zinc/14/95/99/131149599.db2.gz FPLFZSRVNCMWJQ-UHFFFAOYSA-N 0 3 306.322 0.621 20 5 DCBDHN C[C@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000033093265 395716185 /nfs/dbraw/zinc/71/61/85/395716185.db2.gz HGVZVBFPETUODN-LLVKDONJSA-N 0 3 322.365 0.781 20 5 DCBDHN O=C(CNC[C@@H]1CCCO1)NCCNc1ccccc1[N+](=O)[O-] ZINC000150758091 395971965 /nfs/dbraw/zinc/97/19/65/395971965.db2.gz FRIJYSUIEGJUQH-LBPRGKRZSA-N 0 3 322.365 0.892 20 5 DCBDHN CN(CCOCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000282280265 396276853 /nfs/dbraw/zinc/27/68/53/396276853.db2.gz DWBDMVHZIOADHU-CYBMUJFWSA-N 0 3 314.338 0.275 20 5 DCBDHN CCCc1n[nH]c(C(=O)NCCN(CC)CCO)c1[N+](=O)[O-] ZINC000183918961 396277383 /nfs/dbraw/zinc/27/73/83/396277383.db2.gz HYMBSMUYNWEPRI-UHFFFAOYSA-N 0 3 313.358 0.314 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](n2cccn2)C1 ZINC000291654538 396504668 /nfs/dbraw/zinc/50/46/68/396504668.db2.gz FLYUSNXZQFETIW-LBPRGKRZSA-N 0 3 303.322 0.900 20 5 DCBDHN CN1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715451 396617154 /nfs/dbraw/zinc/61/71/54/396617154.db2.gz UKROQKBRJJXARW-ZYHUDNBSSA-N 0 3 309.322 0.155 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000563141637 396708121 /nfs/dbraw/zinc/70/81/21/396708121.db2.gz LSPAHRISZDBLQM-AEGPPILISA-N 0 3 318.333 0.400 20 5 DCBDHN C[N@@H+]1CCC[C@H](N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)C1 ZINC000596129262 396722447 /nfs/dbraw/zinc/72/24/47/396722447.db2.gz SEKDWEZJPYPGAZ-LBPRGKRZSA-N 0 3 321.381 0.912 20 5 DCBDHN C[N@H+]1CCC[C@H](N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)C1 ZINC000596129262 396722451 /nfs/dbraw/zinc/72/24/51/396722451.db2.gz SEKDWEZJPYPGAZ-LBPRGKRZSA-N 0 3 321.381 0.912 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H](O)C(F)F)c1 ZINC000563887328 396789924 /nfs/dbraw/zinc/78/99/24/396789924.db2.gz GFLZHQDFIADULS-MWLCHTKSSA-N 0 3 306.265 0.550 20 5 DCBDHN CC(C)CO[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305044631 396734591 /nfs/dbraw/zinc/73/45/91/396734591.db2.gz KVSBWWRZHJFHEV-ZIAGYGMSSA-N 0 3 312.370 0.899 20 5 DCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610808396 396766288 /nfs/dbraw/zinc/76/62/88/396766288.db2.gz HMQIZKQDYLIHQO-ZDUSSCGKSA-N 0 3 319.365 0.733 20 5 DCBDHN COc1ccc(CNCc2nc(C[NH3+])cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000600776249 396942537 /nfs/dbraw/zinc/94/25/37/396942537.db2.gz QISVDLKSJKWYNP-UHFFFAOYSA-N 0 3 319.321 0.848 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572060119 397017293 /nfs/dbraw/zinc/01/72/93/397017293.db2.gz RBSPJFQFPNTZEN-WCQYABFASA-N 0 3 318.333 0.287 20 5 DCBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1c([N+](=O)[O-])cnn1C)C2 ZINC000597711914 397071994 /nfs/dbraw/zinc/07/19/94/397071994.db2.gz XLTRLBBTIMBVQX-CQSZACIVSA-N 0 3 307.354 0.886 20 5 DCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598184585 397186607 /nfs/dbraw/zinc/18/66/07/397186607.db2.gz DZZNBLNOVJDFKT-UHFFFAOYSA-N 0 3 311.342 0.015 20 5 DCBDHN COC(=O)c1ccnc(N2C[C@H]3CN(C)C[C@H]3C2)c1[N+](=O)[O-] ZINC000598622962 397262160 /nfs/dbraw/zinc/26/21/60/397262160.db2.gz URFBDQNWVPZQLF-AOOOYVTPSA-N 0 3 306.322 0.774 20 5 DCBDHN CN(CCN1CCCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000593381558 397358621 /nfs/dbraw/zinc/35/86/21/397358621.db2.gz IJKSCPUZUJUWPQ-UHFFFAOYSA-N 0 3 324.385 0.919 20 5 DCBDHN Cc1ccc(NCCCNc2nc(N)nc(N)n2)c([N+](=O)[O-])c1 ZINC000599047371 397327729 /nfs/dbraw/zinc/32/77/29/397327729.db2.gz UEAQUJIPNVXLFR-UHFFFAOYSA-N 0 3 318.341 0.249 20 5 DCBDHN O=[N+]([O-])c1cc2c(cc1CNCC1(O)CCOCC1)OCCO2 ZINC000609140477 397761911 /nfs/dbraw/zinc/76/19/11/397761911.db2.gz HRGSQIDMKGWAIL-UHFFFAOYSA-N 0 3 324.333 0.997 20 5 DCBDHN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265652 397810526 /nfs/dbraw/zinc/81/05/26/397810526.db2.gz IQJMLFMJKKIZOL-VIFPVBQESA-N 0 3 302.356 0.608 20 5 DCBDHN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265651 397810533 /nfs/dbraw/zinc/81/05/33/397810533.db2.gz IQJMLFMJKKIZOL-SECBINFHSA-N 0 3 302.356 0.608 20 5 DCBDHN COc1cc(S(=O)(=O)N[C@H]2CCCNC2)ccc1[N+](=O)[O-] ZINC000122898189 158225405 /nfs/dbraw/zinc/22/54/05/158225405.db2.gz FVCCUJNGIOOHIS-VIFPVBQESA-N 0 3 315.351 0.634 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356286570 287200668 /nfs/dbraw/zinc/20/06/68/287200668.db2.gz XGGJZIFVUMYURA-AWEZNQCLSA-N 0 3 307.354 0.886 20 5 DCBDHN C[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCN1 ZINC000420342366 287292616 /nfs/dbraw/zinc/29/26/16/287292616.db2.gz WUOZJVQNERQQPO-SMDDNHRTSA-N 0 3 304.350 0.994 20 5 DCBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@H]1O ZINC000352816214 415335117 /nfs/dbraw/zinc/33/51/17/415335117.db2.gz NIGFHOYABAIRKR-CHWSQXEVSA-N 0 3 309.322 0.615 20 5 DCBDHN CCN1CCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343178128 415485370 /nfs/dbraw/zinc/48/53/70/415485370.db2.gz AFUISYXUQVGYLU-LLVKDONJSA-N 0 3 308.338 0.357 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN(C)C ZINC000288152545 415675101 /nfs/dbraw/zinc/67/51/01/415675101.db2.gz MIMRRMQADZFPAK-VIFPVBQESA-N 0 3 324.337 0.608 20 5 DCBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)CN1CCN(C)CC1 ZINC000122099680 415827723 /nfs/dbraw/zinc/82/77/23/415827723.db2.gz OUBXGPSELUILMJ-LLVKDONJSA-N 0 3 310.354 0.801 20 5 DCBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356455970 415924036 /nfs/dbraw/zinc/92/40/36/415924036.db2.gz HJMMEUKMNKJYEE-SNVBAGLBSA-N 0 3 311.342 0.169 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000174858486 416087751 /nfs/dbraw/zinc/08/77/51/416087751.db2.gz UKLBZMCVFKKZDB-AWEZNQCLSA-N 0 3 323.397 0.836 20 5 DCBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301813628 416094337 /nfs/dbraw/zinc/09/43/37/416094337.db2.gz HZELPLCLVUUJGI-ZDUSSCGKSA-N 0 3 319.365 0.908 20 5 DCBDHN COc1cc(CNC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000358163216 416204487 /nfs/dbraw/zinc/20/44/87/416204487.db2.gz IRQLVUIOFBPXQZ-CQSZACIVSA-N 0 3 311.338 0.465 20 5 DCBDHN COc1cc(CNC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000358163216 416204489 /nfs/dbraw/zinc/20/44/89/416204489.db2.gz IRQLVUIOFBPXQZ-CQSZACIVSA-N 0 3 311.338 0.465 20 5 DCBDHN CCN(CCO)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000183954781 416250257 /nfs/dbraw/zinc/25/02/57/416250257.db2.gz WCDZLIQEAPHKJJ-UHFFFAOYSA-N 0 3 309.366 0.958 20 5 DCBDHN C[C@H]1CN(CC(C)(C)O)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000189434500 416266872 /nfs/dbraw/zinc/26/68/72/416266872.db2.gz DIFRZUJNDPRBGO-LBPRGKRZSA-N 0 3 311.386 0.568 20 5 DCBDHN CC(C)[C@H](N)C(=O)NCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000263274566 416337617 /nfs/dbraw/zinc/33/76/17/416337617.db2.gz XVOZOGHRIBKNOL-AWEZNQCLSA-N 0 3 322.365 0.353 20 5 DCBDHN CN(C)CCn1nnnc1SCCn1ccc([N+](=O)[O-])n1 ZINC000360412222 416389150 /nfs/dbraw/zinc/38/91/50/416389150.db2.gz FTHPCDRPGUPRTK-UHFFFAOYSA-N 0 3 312.359 0.132 20 5 DCBDHN N[C@@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000424068124 416608157 /nfs/dbraw/zinc/60/81/57/416608157.db2.gz ALEPBHPIPYTPJW-LLVKDONJSA-N 0 3 301.306 0.708 20 5 DCBDHN COc1ccc(C(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000539748792 416581598 /nfs/dbraw/zinc/58/15/98/416581598.db2.gz ZIYUJPUAHOLQHU-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN CCCN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517368271 416799425 /nfs/dbraw/zinc/79/94/25/416799425.db2.gz SFTUGAWBEISOSG-UHFFFAOYSA-N 0 3 321.381 0.980 20 5 DCBDHN C[C@H](O)[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519636142 416924247 /nfs/dbraw/zinc/92/42/47/416924247.db2.gz CBHUMYNCVFXBLR-UWVGGRQHSA-N 0 3 317.367 0.232 20 5 DCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCNCC1 ZINC000415303630 417359752 /nfs/dbraw/zinc/35/97/52/417359752.db2.gz FEIAZNWKUZSHIA-UHFFFAOYSA-N 0 3 320.349 0.918 20 5 DCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(C)(C)CN ZINC000415382589 417377832 /nfs/dbraw/zinc/37/78/32/417377832.db2.gz QDAGGASNYJGKHI-UHFFFAOYSA-N 0 3 308.338 0.949 20 5 DCBDHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000531044055 417603307 /nfs/dbraw/zinc/60/33/07/417603307.db2.gz KUWCBCNINNDGCF-LLVKDONJSA-N 0 3 320.349 0.991 20 5 DCBDHN C[C@@H]1COCCN1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000576766856 417634173 /nfs/dbraw/zinc/63/41/73/417634173.db2.gz YWOXIHWEXYOMDR-CYBMUJFWSA-N 0 3 323.397 0.976 20 5 DCBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000579142106 417690620 /nfs/dbraw/zinc/69/06/20/417690620.db2.gz ZNXJISNRTLZWSY-JTQLQIEISA-N 0 3 307.354 1.127 20 5 DCBDHN CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000316675626 261175345 /nfs/dbraw/zinc/17/53/45/261175345.db2.gz HHICIRQNKNRILC-YBJDMEARSA-N 0 3 304.350 0.709 20 5 DCBDHN C[C@H](NC(=O)NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000418240415 262273379 /nfs/dbraw/zinc/27/33/79/262273379.db2.gz ZJONRIPTRVOVBC-GWCFXTLKSA-N 0 3 308.338 0.943 20 5 DCBDHN CN(C)C1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000419001708 262303021 /nfs/dbraw/zinc/30/30/21/262303021.db2.gz LUJQUTKLWDBIKZ-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN C[C@@H]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000490320754 272073001 /nfs/dbraw/zinc/07/30/01/272073001.db2.gz RXXAAJJTIFWIPD-GHMZBOCLSA-N 0 3 310.358 0.573 20 5 DCBDHN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCNCC1 ZINC000122806227 280354020 /nfs/dbraw/zinc/35/40/20/280354020.db2.gz FGOMTNUASHOFME-UHFFFAOYSA-N 0 3 303.315 0.718 20 5 DCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000570464699 332759980 /nfs/dbraw/zinc/75/99/80/332759980.db2.gz TYOPFNGINVMEDN-MNOVXSKESA-N 0 3 318.333 0.287 20 5 DCBDHN CCOc1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000583704976 337092551 /nfs/dbraw/zinc/09/25/51/337092551.db2.gz XMBOXLMUPOVANM-NWDGAFQWSA-N 0 3 320.349 0.742 20 5 DCBDHN COCCCN(C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000266141118 523217233 /nfs/dbraw/zinc/21/72/33/523217233.db2.gz HCIORGFUAYUWCD-UHFFFAOYSA-N 0 3 313.358 0.266 20 5 DCBDHN COc1ccc(OCCN(CCO)CCCO)c([N+](=O)[O-])c1 ZINC000266532964 524955323 /nfs/dbraw/zinc/95/53/23/524955323.db2.gz MMVKHJULBOEGGI-UHFFFAOYSA-N 0 3 314.338 0.659 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000157393001 525572931 /nfs/dbraw/zinc/57/29/31/525572931.db2.gz JXOOIRJPEJSDMN-LLVKDONJSA-N 0 3 315.351 0.170 20 5 DCBDHN Cc1ncc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001025776813 659556896 /nfs/dbraw/zinc/55/68/96/659556896.db2.gz FWBZYUJETAHUQQ-LBELIVKGSA-N 0 3 306.322 0.195 20 5 DCBDHN CCc1noc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983657818 662001801 /nfs/dbraw/zinc/00/18/01/662001801.db2.gz OBLMCHZYZDVPJC-GWOFURMSSA-N 0 3 323.353 0.282 20 5 DCBDHN CCc1nn(C)c(N2CC[C@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897222328 662405530 /nfs/dbraw/zinc/40/55/30/662405530.db2.gz UFDAVHGFNKLGHE-STQMWFEESA-N 0 3 323.397 0.926 20 5 DCBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)C(N)=O)CC1 ZINC000985613822 662492697 /nfs/dbraw/zinc/49/26/97/662492697.db2.gz OXSPKNVBOKEKEN-UHFFFAOYSA-N 0 3 320.349 0.503 20 5 DCBDHN CN1CCOC[C@]1(CO)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903277208 663451375 /nfs/dbraw/zinc/45/13/75/663451375.db2.gz FCBIPFAMAGGUEV-GOEBONIOSA-N 0 3 321.377 0.865 20 5 DCBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000869194557 667636257 /nfs/dbraw/zinc/63/62/57/667636257.db2.gz GQYLLLPGRDHTIF-NWDGAFQWSA-N 0 3 323.324 0.554 20 5 DCBDHN Cc1c(CN2C(=O)N[C@@H](CN(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000924732198 668233267 /nfs/dbraw/zinc/23/32/67/668233267.db2.gz XEIGHZCYQSJYPR-NSHDSACASA-N 0 3 306.322 0.885 20 5 DCBDHN O=C(CN[C@@H](CO)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000771810323 668753155 /nfs/dbraw/zinc/75/31/55/668753155.db2.gz YCDZIUKZFKVCEF-ZDUSSCGKSA-N 0 3 305.334 0.844 20 5 DCBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@]1(O)CCOC1 ZINC000930441001 669018770 /nfs/dbraw/zinc/01/87/70/669018770.db2.gz QIUCGTWNCMGUKL-GDBMZVCRSA-N 0 3 324.377 0.972 20 5 DCBDHN NC(=O)C1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000784191338 669193243 /nfs/dbraw/zinc/19/32/43/669193243.db2.gz YUODIRYGGNVNGO-NSHDSACASA-N 0 3 323.349 0.722 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000934394520 669600729 /nfs/dbraw/zinc/60/07/29/669600729.db2.gz HCDHCEMERSPTDB-GXSJLCMTSA-N 0 3 307.354 0.841 20 5 DCBDHN Nc1nccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000847406547 670548852 /nfs/dbraw/zinc/54/88/52/670548852.db2.gz DBBZXTZVXQRVLL-NXEZZACHSA-N 0 3 321.337 0.165 20 5 DCBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1-n1cnnn1 ZINC000813102582 670610931 /nfs/dbraw/zinc/61/09/31/670610931.db2.gz SMPHXWRPLFJYGF-MRVPVSSYSA-N 0 3 307.266 0.493 20 5 DCBDHN CC(COC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[N+](=O)[O-] ZINC000813115126 670612914 /nfs/dbraw/zinc/61/29/14/670612914.db2.gz KWGIBDRASBMXPZ-WDEREUQCSA-N 0 3 307.306 0.639 20 5 DCBDHN O=[N+]([O-])c1c(N2CCN3C[C@H](O)C[C@H]3C2)nc2ccccn21 ZINC000848768101 670724638 /nfs/dbraw/zinc/72/46/38/670724638.db2.gz VOXBVNGNJIREMK-WDEREUQCSA-N 0 3 303.322 0.498 20 5 DCBDHN C[C@@H](NCC(=O)N1CCNCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945562 670955874 /nfs/dbraw/zinc/95/58/74/670955874.db2.gz GIIQJKIGYIMBSF-SNVBAGLBSA-N 0 3 307.354 0.259 20 5 DCBDHN C[C@]1(CO)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000859831716 671148532 /nfs/dbraw/zinc/14/85/32/671148532.db2.gz ACYHAPQVUHOMPP-OAGGEKHMSA-N 0 3 324.377 0.941 20 5 DCBDHN CCc1n[nH]c(C(=O)N2CCNC[C@@H]2CCOC)c1[N+](=O)[O-] ZINC001578243658 1164962927 /nfs/dbraw/zinc/96/29/27/1164962927.db2.gz UPGRFZZBBOZIMM-VIFPVBQESA-N 0 3 311.342 0.331 20 5 DCBDHN CCc1[nH]nc(C(=O)N2CCNC[C@@H]2CCOC)c1[N+](=O)[O-] ZINC001578243658 1164962932 /nfs/dbraw/zinc/96/29/32/1164962932.db2.gz UPGRFZZBBOZIMM-VIFPVBQESA-N 0 3 311.342 0.331 20 5 DCBDHN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1COC2(CNC2)C1 ZINC001580766690 1165714391 /nfs/dbraw/zinc/71/43/91/1165714391.db2.gz KJKXYCBYGQDMCW-SECBINFHSA-N 0 3 310.285 0.986 20 5 DCBDHN CNC(=O)C1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001620587062 1171403413 /nfs/dbraw/zinc/40/34/13/1171403413.db2.gz QWYZMNSZKCCTSV-ZDUSSCGKSA-N 0 3 323.349 0.513 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001639364641 1171833112 /nfs/dbraw/zinc/83/31/12/1171833112.db2.gz DKAMAYWZSIRCGY-SECBINFHSA-N 0 3 306.322 0.380 20 5 DCBDHN CN(CCO)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001644751205 1172020340 /nfs/dbraw/zinc/02/03/40/1172020340.db2.gz OKEGEVUDPZAOOL-UHFFFAOYSA-N 0 3 306.322 0.730 20 5 DCBDHN CN(CCO)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001651926228 1173758198 /nfs/dbraw/zinc/75/81/98/1173758198.db2.gz GTHTWEJKKYQZJZ-UHFFFAOYSA-N 0 3 315.301 0.153 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCCn3nccc32)c1 ZINC001654610999 1173808142 /nfs/dbraw/zinc/80/81/42/1173808142.db2.gz RVEFOXSLCCHJJE-NWDGAFQWSA-N 0 3 306.326 0.473 20 5 DCBDHN CCN(CC)CC(=O)N1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001655107087 1173815564 /nfs/dbraw/zinc/81/55/64/1173815564.db2.gz MEEWIIOWHJJERD-UHFFFAOYSA-N 0 3 324.385 0.319 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CSCCN2)n1 ZINC001655812656 1173828124 /nfs/dbraw/zinc/82/81/24/1173828124.db2.gz WYJLTGZCZMCGAB-QMMMGPOBSA-N 0 3 312.351 0.893 20 5 DCBDHN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cn(C)nn1 ZINC001753285819 1188557648 /nfs/dbraw/zinc/55/76/48/1188557648.db2.gz ZYUJQYJXJBLCDV-CHWSQXEVSA-N 0 3 324.385 0.197 20 5 DCBDHN CCNC(=O)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126002237 748181522 /nfs/dbraw/zinc/18/15/22/748181522.db2.gz GLZYSCLRAWRQHE-UHFFFAOYSA-N 0 3 308.338 0.327 20 5 DCBDHN Cn1nncc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126524707 748935077 /nfs/dbraw/zinc/93/50/77/748935077.db2.gz RWSJLNLQCACZRU-UHFFFAOYSA-N 0 3 304.310 0.243 20 5 DCBDHN Cc1conc1CN1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC001048812977 754954952 /nfs/dbraw/zinc/95/49/52/754954952.db2.gz UFKUFIBWCGVTED-GFQSEFKGSA-N 0 3 320.349 0.538 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001048814319 754956963 /nfs/dbraw/zinc/95/69/63/754956963.db2.gz DYIZROGWGGWFPX-WRWGMCAJSA-N 0 3 322.390 0.699 20 5 DCBDHN COc1ccc(C[C@H](C)NS(=O)(=O)CCN)c([N+](=O)[O-])c1 ZINC001170296969 762594930 /nfs/dbraw/zinc/59/49/30/762594930.db2.gz IVSDPPWCYBIFNN-VIFPVBQESA-N 0 3 317.367 0.413 20 5 DCBDHN CN(c1cnc2cc([N+](=O)[O-])ccc2n1)S(=O)(=O)CCN ZINC001156232546 760490646 /nfs/dbraw/zinc/49/06/46/760490646.db2.gz XMKZRUAOWCPDSH-UHFFFAOYSA-N 0 3 311.323 0.263 20 5 DCBDHN CN(C)C(=O)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001134939247 765737674 /nfs/dbraw/zinc/73/76/74/765737674.db2.gz SKJNBPYZZKGQNF-UHFFFAOYSA-N 0 3 308.338 0.279 20 5 DCBDHN NC(=O)COC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001116218862 765851124 /nfs/dbraw/zinc/85/11/24/765851124.db2.gz QQAIVVQVCJCCHV-UHFFFAOYSA-N 0 3 323.349 0.940 20 5 DCBDHN NC(=O)[C@H](C1CC1)N(CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC001175503312 769914225 /nfs/dbraw/zinc/91/42/25/769914225.db2.gz KSURLVHBQVLOKB-ZDUSSCGKSA-N 0 3 307.354 0.767 20 5 DCBDHN Nc1cc([N+](=O)[O-])cnc1NCc1nnn2c1CNCCC2 ZINC001155397335 770491404 /nfs/dbraw/zinc/49/14/04/770491404.db2.gz HUSBDBYQLDWTND-UHFFFAOYSA-N 0 3 304.314 0.269 20 5 DCBDHN COc1cc(C)nc([N-][C@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155571369 770548913 /nfs/dbraw/zinc/54/89/13/770548913.db2.gz SEIDYHUAMMUDOH-TVQRCGJNSA-N 0 3 307.310 0.297 20 5 DCBDHN CN(c1ccc2ccc([N+](=O)[O-])cc2n1)S(=O)(=O)CCN ZINC001156236083 770759176 /nfs/dbraw/zinc/75/91/76/770759176.db2.gz DUCLWHWAFKOIHW-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN O=C(NCCCNCc1nc(CC2CC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001157766924 771665723 /nfs/dbraw/zinc/66/57/23/771665723.db2.gz BUXUENDYGJCOQY-GHMZBOCLSA-N 0 3 323.353 0.283 20 5 DCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCNC3(CC3)C2)n1 ZINC001158944285 771836872 /nfs/dbraw/zinc/83/68/72/771836872.db2.gz KXVJLBKIQWHVGG-UHFFFAOYSA-N 0 3 306.326 0.594 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCC(F)F ZINC001162636739 772401514 /nfs/dbraw/zinc/40/15/14/772401514.db2.gz LVYOVTIRKZVYSD-UHFFFAOYSA-N 0 3 319.312 0.970 20 5 DCBDHN O=C1C[C@H]2[NH2+]CC[C@@]2([N-]c2ncc3cccc([N+](=O)[O-])c3n2)N1 ZINC001163243237 772489599 /nfs/dbraw/zinc/48/95/99/772489599.db2.gz RVUYYQHPQHZZDM-YGRLFVJLSA-N 0 3 314.305 0.528 20 5 DCBDHN Cc1c(N(C)S(=O)(=O)CCN)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001164297101 772640713 /nfs/dbraw/zinc/64/07/13/772640713.db2.gz UWRVUZCCGMOYFF-UHFFFAOYSA-N 0 3 318.311 0.536 20 5 DCBDHN CCN(C)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001214102562 773926127 /nfs/dbraw/zinc/92/61/27/773926127.db2.gz DNNCROPRQOQQEK-LLVKDONJSA-N 0 3 314.367 0.705 20 5 DCBDHN COC(=O)CNC(=O)[C@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254544711 946407975 /nfs/dbraw/zinc/40/79/75/946407975.db2.gz KFQLSVVHOTUTIC-QWRGUYRKSA-N 0 3 323.349 0.793 20 5 DCBDHN O=c1[n-]ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC001328600541 948983116 /nfs/dbraw/zinc/98/31/16/948983116.db2.gz DTNUFDRWLAQJOR-NSHDSACASA-N 0 3 308.338 0.731 20 5 DCBDHN O=c1[n-]ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC001328600541 948983128 /nfs/dbraw/zinc/98/31/28/948983128.db2.gz DTNUFDRWLAQJOR-NSHDSACASA-N 0 3 308.338 0.731 20 5 DCBDHN O=C(NC1CC1)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001330694564 950592062 /nfs/dbraw/zinc/59/20/62/950592062.db2.gz JZZURDBXJAFXQT-NSHDSACASA-N 0 3 307.354 0.782 20 5 DCBDHN Cc1cnc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001274017100 951332048 /nfs/dbraw/zinc/33/20/48/951332048.db2.gz QYRYPXCEGJCZOM-WUNPDAOYSA-N 0 3 310.379 0.879 20 5 DCBDHN O=C(C[C@H]1CNCCO1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001332156791 951500669 /nfs/dbraw/zinc/50/06/69/951500669.db2.gz NSIAELJONDRXSL-LBPRGKRZSA-N 0 3 323.353 0.333 20 5 DCBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC001466683536 1016100031 /nfs/dbraw/zinc/10/00/31/1016100031.db2.gz SYRPPYHBUTVZRY-HNNXBMFYSA-N 0 3 323.349 0.790 20 5 DCBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC001468315818 1016242958 /nfs/dbraw/zinc/24/29/58/1016242958.db2.gz GWLNZSYATFNQED-JTQLQIEISA-N 0 3 311.342 0.203 20 5 DCBDHN C[C@H]1C[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC001545709853 1005557675 /nfs/dbraw/zinc/55/76/75/1005557675.db2.gz MNKCMHGGRSJIEQ-WPRPVWTQSA-N 0 3 305.338 0.927 20 5 DCBDHN Nc1c(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc(F)cc1[N+](=O)[O-] ZINC001456298590 1010177439 /nfs/dbraw/zinc/17/74/39/1010177439.db2.gz ONJYCLKWMXYIQP-SECBINFHSA-N 0 3 324.312 0.519 20 5 DCBDHN Cc1nn(CCC(=O)NC[C@@H]2C[C@H](F)CN2)c(C)c1[N+](=O)[O-] ZINC000368368518 282302746 /nfs/dbraw/zinc/30/27/46/282302746.db2.gz CJPQBGSOBXXMGN-QWRGUYRKSA-N 0 3 313.333 0.614 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000566455308 291303231 /nfs/dbraw/zinc/30/32/31/291303231.db2.gz MFKAXGYRXXAIRF-AWEZNQCLSA-N 0 3 308.338 0.120 20 5 DCBDHN Cc1ccc(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000566491791 291307507 /nfs/dbraw/zinc/30/75/07/291307507.db2.gz ZCCCEACUDUYBIT-QWHCGFSZSA-N 0 3 304.350 0.647 20 5 DCBDHN C[C@@H](CN)NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420025817 240009189 /nfs/dbraw/zinc/00/91/89/240009189.db2.gz ZGMKWCHQOIXMGJ-JTQLQIEISA-N 0 3 320.349 0.549 20 5 DCBDHN CC(C(=O)NCCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000266053973 205060614 /nfs/dbraw/zinc/06/06/14/205060614.db2.gz OKJDJUJTIVCURC-SECBINFHSA-N 0 3 300.336 0.687 20 5 DCBDHN CSC1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCN(C)CC1 ZINC000574495110 291697809 /nfs/dbraw/zinc/69/78/09/291697809.db2.gz PXNCYJNCOMIIKX-UHFFFAOYSA-N 0 3 313.383 0.875 20 5 DCBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000347706632 254181195 /nfs/dbraw/zinc/18/11/95/254181195.db2.gz VVNKQBGROCZSOU-UHFFFAOYSA-N 0 3 310.354 0.774 20 5 DCBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000348188808 254225825 /nfs/dbraw/zinc/22/58/25/254225825.db2.gz VZSKCAKINHHDHF-NEPJUHHUSA-N 0 3 308.338 0.261 20 5 DCBDHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000351143657 254333656 /nfs/dbraw/zinc/33/36/56/254333656.db2.gz SQBPBGNIYNCYJP-MRVPVSSYSA-N 0 3 312.301 0.739 20 5 DCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1CCC(O)CC1 ZINC000351748938 254365486 /nfs/dbraw/zinc/36/54/86/254365486.db2.gz KYGQMCILRQKQMD-UHFFFAOYSA-N 0 3 323.353 0.149 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CC3(CO)COC3)C2)nc1 ZINC000089128437 395708251 /nfs/dbraw/zinc/70/82/51/395708251.db2.gz UELONQSBWIALTA-NSHDSACASA-N 0 3 308.338 0.485 20 5 DCBDHN O=C1NC(=O)C2(CCN(Cc3cccc([N+](=O)[O-])c3)CC2)N1 ZINC000270553526 395782683 /nfs/dbraw/zinc/78/26/83/395782683.db2.gz VETNXKZZVJTKGV-UHFFFAOYSA-N 0 3 304.306 0.769 20 5 DCBDHN CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000270743205 395803373 /nfs/dbraw/zinc/80/33/73/395803373.db2.gz AMSLDXANUPJEQV-MNOVXSKESA-N 0 3 313.383 0.295 20 5 DCBDHN CCN(C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000115159631 395838447 /nfs/dbraw/zinc/83/84/47/395838447.db2.gz GTQSINGQSSFWQR-UHFFFAOYSA-N 0 3 308.338 0.393 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]CC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000230053724 395877308 /nfs/dbraw/zinc/87/73/08/395877308.db2.gz XIDZRKYJAFIOPX-UHFFFAOYSA-N 0 3 315.351 0.763 20 5 DCBDHN Cc1ccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000262041443 396093334 /nfs/dbraw/zinc/09/33/34/396093334.db2.gz BXMONSHDYGBJKM-ZDUSSCGKSA-N 0 3 308.338 0.941 20 5 DCBDHN CC(C)CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075586608 396181656 /nfs/dbraw/zinc/18/16/56/396181656.db2.gz AULGLODJEXWWCR-CQSZACIVSA-N 0 3 311.386 0.426 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286241971 396382827 /nfs/dbraw/zinc/38/28/27/396382827.db2.gz YYTSMEQHZZNOIC-SNVBAGLBSA-N 0 3 310.358 0.074 20 5 DCBDHN COc1ccc(CNC(=O)C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000269244046 396398941 /nfs/dbraw/zinc/39/89/41/396398941.db2.gz JQOVVMTVIMXFGZ-NSHDSACASA-N 0 3 309.322 0.598 20 5 DCBDHN CN(C)C1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000585707161 396650110 /nfs/dbraw/zinc/65/01/10/396650110.db2.gz MIAQUXJCCFDWBU-UHFFFAOYSA-N 0 3 305.338 0.535 20 5 DCBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN(C)C)c1 ZINC000588864349 396697267 /nfs/dbraw/zinc/69/72/67/396697267.db2.gz FNSUQISMRKWBDO-VIFPVBQESA-N 0 3 313.379 0.969 20 5 DCBDHN Cc1cc(N(CCN(C)C)CC(=O)N(C)C)ncc1[N+](=O)[O-] ZINC000596464251 396782131 /nfs/dbraw/zinc/78/21/31/396782131.db2.gz VJXXIMRPKZFZGY-UHFFFAOYSA-N 0 3 309.370 0.754 20 5 DCBDHN O=C1NC(=O)[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000590758618 396834315 /nfs/dbraw/zinc/83/43/15/396834315.db2.gz NFFNAZKFPUEUNO-BETUJISGSA-N 0 3 319.317 0.568 20 5 DCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377513308 397091490 /nfs/dbraw/zinc/09/14/90/397091490.db2.gz SQIKYGKILWRKIV-YPMHNXCESA-N 0 3 323.353 0.161 20 5 DCBDHN C[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1CN ZINC000592471055 397186076 /nfs/dbraw/zinc/18/60/76/397186076.db2.gz LDLNPHAOJBCPDD-WDEREUQCSA-N 0 3 308.338 0.342 20 5 DCBDHN CC(C)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1 ZINC000592543416 397206598 /nfs/dbraw/zinc/20/65/98/397206598.db2.gz AHKGAFCDMPIHEM-GFCCVEGCSA-N 0 3 308.338 0.213 20 5 DCBDHN NC1(C(=O)NCCn2cc([N+](=O)[O-])cn2)Cc2ccccc2C1 ZINC000592564038 397217067 /nfs/dbraw/zinc/21/70/67/397217067.db2.gz BAONXIOAHJCUKB-UHFFFAOYSA-N 0 3 315.333 0.404 20 5 DCBDHN CN1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000574392792 397262014 /nfs/dbraw/zinc/26/20/14/397262014.db2.gz HCWGBNGVQRSQFZ-GHMZBOCLSA-N 0 3 309.322 0.155 20 5 DCBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CC[C@H](O)C1 ZINC000599199242 397361209 /nfs/dbraw/zinc/36/12/09/397361209.db2.gz HXHGAJCVDNXHSR-NSHDSACASA-N 0 3 308.338 0.433 20 5 DCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000370728767 397519281 /nfs/dbraw/zinc/51/92/81/397519281.db2.gz DBHCCIRRYIIJRH-IUCAKERBSA-N 0 3 303.315 0.573 20 5 DCBDHN CN(C)CCn1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)n1 ZINC000120055394 158193287 /nfs/dbraw/zinc/19/32/87/158193287.db2.gz QKBMLPCIQRHICR-UHFFFAOYSA-N 0 3 307.314 0.188 20 5 DCBDHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249544767 287113452 /nfs/dbraw/zinc/11/34/52/287113452.db2.gz JZNSLEVIHQEJAG-MPKXVKKWSA-N 0 3 323.349 0.449 20 5 DCBDHN COC(=O)COc1ccc(CNCCN2CCC2)cc1[N+](=O)[O-] ZINC000353213007 415476319 /nfs/dbraw/zinc/47/63/19/415476319.db2.gz ZLQGJWXVUDIFAU-UHFFFAOYSA-N 0 3 323.349 0.942 20 5 DCBDHN CN(C)CC1(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC1 ZINC000343808494 415739593 /nfs/dbraw/zinc/73/95/93/415739593.db2.gz BHAYNYAMGVGSDA-UHFFFAOYSA-N 0 3 308.338 0.357 20 5 DCBDHN C[C@@H]1[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343887988 415767987 /nfs/dbraw/zinc/76/79/87/415767987.db2.gz FVXGUAQFSAFGEW-PWSUYJOCSA-N 0 3 310.358 0.573 20 5 DCBDHN CN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000120763268 415783838 /nfs/dbraw/zinc/78/38/38/415783838.db2.gz GTWRYOIZPRXMKZ-GJBLVYBDSA-N 0 3 304.350 0.709 20 5 DCBDHN C[C@H]1CCCN(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000133583483 415948634 /nfs/dbraw/zinc/94/86/34/415948634.db2.gz NSBOPDNNNCZWAF-LBPRGKRZSA-N 0 3 324.385 0.822 20 5 DCBDHN NC(=O)NC(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345664735 416129975 /nfs/dbraw/zinc/12/99/75/416129975.db2.gz JWYOTQVANFWMHP-VIFPVBQESA-N 0 3 322.325 0.061 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358045324 416177562 /nfs/dbraw/zinc/17/75/62/416177562.db2.gz JEBGLCQMUKZNBB-AWEZNQCLSA-N 0 3 309.322 0.400 20 5 DCBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330642637 416221396 /nfs/dbraw/zinc/22/13/96/416221396.db2.gz FCPGEMGDARGOKX-QWRGUYRKSA-N 0 3 310.358 0.423 20 5 DCBDHN COc1ccc(NC(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358488753 416243327 /nfs/dbraw/zinc/24/33/27/416243327.db2.gz XJCWJAHTCRUMFD-AWEZNQCLSA-N 0 3 324.337 0.792 20 5 DCBDHN Cc1cc(C(=O)NCC(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000192519476 416307502 /nfs/dbraw/zinc/30/75/02/416307502.db2.gz LCKJBJCMPZFZJK-UHFFFAOYSA-N 0 3 308.338 0.311 20 5 DCBDHN NCCNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419821734 416413541 /nfs/dbraw/zinc/41/35/41/416413541.db2.gz UUFDRODCDXFPAM-UHFFFAOYSA-N 0 3 306.322 0.161 20 5 DCBDHN CC(C)N1CC[C@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000458555545 416481369 /nfs/dbraw/zinc/48/13/69/416481369.db2.gz JCQIWAVXEWFTQT-LBPRGKRZSA-N 0 3 324.385 0.915 20 5 DCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000584183248 416508883 /nfs/dbraw/zinc/50/88/83/416508883.db2.gz AKSGSRJKQVHFHF-JOYOIKCWSA-N 0 3 322.296 0.118 20 5 DCBDHN O=C(NC[C@H]1CNCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000423998072 416601808 /nfs/dbraw/zinc/60/18/08/416601808.db2.gz ZJKPTMXJXXRNFB-GFCCVEGCSA-N 0 3 320.349 0.887 20 5 DCBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CNCCO1 ZINC000423993334 416602665 /nfs/dbraw/zinc/60/26/65/416602665.db2.gz QKGMOBDKJQKXQB-CQSZACIVSA-N 0 3 322.365 0.892 20 5 DCBDHN COc1cc(C(=O)NC[C@@H]2CNCCO2)cc([N+](=O)[O-])c1C ZINC000424007851 416605006 /nfs/dbraw/zinc/60/50/06/416605006.db2.gz VMLJEFCFNHZUAS-NSHDSACASA-N 0 3 309.322 0.630 20 5 DCBDHN Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2N)cn1 ZINC000424248816 416633391 /nfs/dbraw/zinc/63/33/91/416633391.db2.gz XNCCVDSAPVOJPB-UONOGXRCSA-N 0 3 315.333 0.895 20 5 DCBDHN C[C@@H]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CN1C1CC1 ZINC000548092007 416684520 /nfs/dbraw/zinc/68/45/20/416684520.db2.gz USXOBNPOJAUOPD-RKDXNWHRSA-N 0 3 305.338 0.927 20 5 DCBDHN CC(=O)N1CC[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000516276915 416719733 /nfs/dbraw/zinc/71/97/33/416719733.db2.gz QHRGZQLGIUUFMM-CHWSQXEVSA-N 0 3 323.349 0.545 20 5 DCBDHN CN1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000517456972 416804707 /nfs/dbraw/zinc/80/47/07/416804707.db2.gz FFNCFUCYKKRDDX-LLVKDONJSA-N 0 3 308.338 0.215 20 5 DCBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000565313763 416968303 /nfs/dbraw/zinc/96/83/03/416968303.db2.gz RNNHIGGMXQSKIF-STQMWFEESA-N 0 3 322.365 0.448 20 5 DCBDHN C[C@H]1CCN(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000525292570 417135404 /nfs/dbraw/zinc/13/54/04/417135404.db2.gz YMXWJNVQPPDUAK-NSHDSACASA-N 0 3 309.370 0.984 20 5 DCBDHN O=C(CNC[C@H](O)COc1ccccc1[N+](=O)[O-])NCC1CC1 ZINC000569687422 417284252 /nfs/dbraw/zinc/28/42/52/417284252.db2.gz SUJHSZNYCVJWHF-LBPRGKRZSA-N 0 3 323.349 0.450 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000354421250 261217431 /nfs/dbraw/zinc/21/74/31/261217431.db2.gz NWRBHAXKFYVYSU-SNVBAGLBSA-N 0 3 310.358 0.074 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000354421250 261217432 /nfs/dbraw/zinc/21/74/32/261217432.db2.gz NWRBHAXKFYVYSU-SNVBAGLBSA-N 0 3 310.358 0.074 20 5 DCBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000354566181 261237956 /nfs/dbraw/zinc/23/79/56/261237956.db2.gz LGNJWEAMZCWLOT-OCCSQVGLSA-N 0 3 320.397 0.847 20 5 DCBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000354566183 261238195 /nfs/dbraw/zinc/23/81/95/261238195.db2.gz LGNJWEAMZCWLOT-TZMCWYRMSA-N 0 3 320.397 0.847 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000358706562 261696567 /nfs/dbraw/zinc/69/65/67/261696567.db2.gz NHKXQPAVLWSTGO-OAHLLOKOSA-N 0 3 322.365 0.503 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CNCCO1 ZINC000417184146 262247136 /nfs/dbraw/zinc/24/71/36/262247136.db2.gz QTLRYQQCLDMNTO-LBPRGKRZSA-N 0 3 324.337 0.391 20 5 DCBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCCNCC2)cc1 ZINC000420403162 262374121 /nfs/dbraw/zinc/37/41/21/262374121.db2.gz KQWHFTVFWYBIQO-UHFFFAOYSA-N 0 3 313.379 0.762 20 5 DCBDHN CNc1c(C(=O)NC[C@@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000360951617 271169879 /nfs/dbraw/zinc/16/98/79/271169879.db2.gz QRAMZCBCFVKJJF-CQSZACIVSA-N 0 3 310.354 0.679 20 5 DCBDHN C[C@H]1CNCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420219231 271367459 /nfs/dbraw/zinc/36/74/59/271367459.db2.gz POSKZQDFBNBCHX-ZETCQYMHSA-N 0 3 305.381 0.858 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000493468445 272190581 /nfs/dbraw/zinc/19/05/81/272190581.db2.gz QOUXSSDRIILGMU-AGKLADILSA-N 0 3 305.334 0.741 20 5 DCBDHN CCCN(C)CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457122226 276246658 /nfs/dbraw/zinc/24/66/58/276246658.db2.gz MFXIEMWFJBYBSB-UHFFFAOYSA-N 0 3 321.381 0.980 20 5 DCBDHN COCCCN1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548092311 288110681 /nfs/dbraw/zinc/11/06/81/288110681.db2.gz NMPONFGFPTZAMH-UHFFFAOYSA-N 0 3 311.342 0.549 20 5 DCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])s1 ZINC000552026964 288260543 /nfs/dbraw/zinc/26/05/43/288260543.db2.gz NRJMPYLHEKXSHV-ZDUSSCGKSA-N 0 3 311.363 0.843 20 5 DCBDHN CC1CCN(C[C@H](O)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000554861161 288339813 /nfs/dbraw/zinc/33/98/13/288339813.db2.gz UUNVWDMXTKNQIP-SNVBAGLBSA-N 0 3 311.342 0.141 20 5 DCBDHN COc1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000563899342 288714021 /nfs/dbraw/zinc/71/40/21/288714021.db2.gz UEUPQIRVHFUCII-WCBMZHEXSA-N 0 3 324.312 0.491 20 5 DCBDHN C[C@@H](O)[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000564205022 288729871 /nfs/dbraw/zinc/72/98/71/288729871.db2.gz UKEQROCUYBNKQW-VHSXEESVSA-N 0 3 317.367 0.232 20 5 DCBDHN N[C@H]1C[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000584005447 331560933 /nfs/dbraw/zinc/56/09/33/331560933.db2.gz UGMDKURCJYTHJC-BDAKNGLRSA-N 0 3 311.729 0.391 20 5 DCBDHN N[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCC1 ZINC000399242127 337314570 /nfs/dbraw/zinc/31/45/70/337314570.db2.gz UOEACQLXQXUIAB-AWEZNQCLSA-N 0 3 319.365 0.766 20 5 DCBDHN C[C@@H]1CN(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000159537709 524949721 /nfs/dbraw/zinc/94/97/21/524949721.db2.gz GIFXBBMNMBMXKG-NXEZZACHSA-N 0 3 311.342 0.547 20 5 DCBDHN CC(C)CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCN(C)CC1 ZINC000330776558 527899676 /nfs/dbraw/zinc/89/96/76/527899676.db2.gz SZRJVPBZKVIOLS-UHFFFAOYSA-N 0 3 324.385 0.765 20 5 DCBDHN CNC(=O)[C@@]1(C)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000430272982 536373001 /nfs/dbraw/zinc/37/30/01/536373001.db2.gz ZHJCLBIPMJIBCU-HNNXBMFYSA-N 0 3 320.349 0.652 20 5 DCBDHN O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000823651795 607230084 /nfs/dbraw/zinc/23/00/84/607230084.db2.gz QVFUKISTKVDPNN-UHFFFAOYSA-N 0 3 320.338 0.823 20 5 DCBDHN C[C@@]1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CN2CCC1CC2 ZINC000892785816 659455152 /nfs/dbraw/zinc/45/51/52/659455152.db2.gz PTBKRWUMWNRHEE-OAHLLOKOSA-N 0 3 320.349 0.357 20 5 DCBDHN CN(CCO)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000899740040 663185617 /nfs/dbraw/zinc/18/56/17/663185617.db2.gz CYBRKJSKJHCSFH-UONOGXRCSA-N 0 3 307.350 0.739 20 5 DCBDHN Cc1ncc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001002786514 666221870 /nfs/dbraw/zinc/22/18/70/666221870.db2.gz BHTQNTBVLXFLJU-ZIAGYGMSSA-N 0 3 319.365 0.531 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Cl)nc2)c1 ZINC000743261322 667805256 /nfs/dbraw/zinc/80/52/56/667805256.db2.gz DOKOEYMSDDAZGD-LLVKDONJSA-N 0 3 311.729 0.990 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000871987651 667863735 /nfs/dbraw/zinc/86/37/35/667863735.db2.gz UIVVCCAKXJPLHS-AWEZNQCLSA-N 0 3 303.322 0.823 20 5 DCBDHN CC(COC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)[N+](=O)[O-] ZINC000813102483 670611031 /nfs/dbraw/zinc/61/10/31/670611031.db2.gz GEKDLTYTJIDSPO-ZETCQYMHSA-N 0 3 305.312 0.087 20 5 DCBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1Cc1ccncc1 ZINC000813111199 670611920 /nfs/dbraw/zinc/61/19/20/670611920.db2.gz QCQIATSTYYWNGV-SECBINFHSA-N 0 3 305.294 0.852 20 5 DCBDHN CC(COC(=O)CN1CCN(c2ccccn2)CC1)[N+](=O)[O-] ZINC000813105986 670612086 /nfs/dbraw/zinc/61/20/86/670612086.db2.gz XCGPFUIZQLDGJY-GFCCVEGCSA-N 0 3 308.338 0.412 20 5 DCBDHN CC(COC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[N+](=O)[O-] ZINC000813115123 670612871 /nfs/dbraw/zinc/61/28/71/670612871.db2.gz KWGIBDRASBMXPZ-GHMZBOCLSA-N 0 3 307.306 0.639 20 5 DCBDHN CC(COC(=O)CN(C)S(=O)(=O)c1ccccc1)[N+](=O)[O-] ZINC000813115407 670613277 /nfs/dbraw/zinc/61/32/77/670613277.db2.gz RDWQRDMPIPQCDA-JTQLQIEISA-N 0 3 316.335 0.516 20 5 DCBDHN CC(COC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)[N+](=O)[O-] ZINC000851037469 670963061 /nfs/dbraw/zinc/96/30/61/670963061.db2.gz YONNYOHOXXJAIC-XLKFXECMSA-N 0 3 321.289 0.563 20 5 DCBDHN CCN(CCO)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823962308 671414290 /nfs/dbraw/zinc/41/42/90/671414290.db2.gz RDOBALUNPMLZLC-UHFFFAOYSA-N 0 3 311.342 0.613 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823961648 671414357 /nfs/dbraw/zinc/41/43/57/671414357.db2.gz HPPSXQPNESBHAC-ZDUSSCGKSA-N 0 3 309.326 0.365 20 5 DCBDHN Nc1ccc(-c2noc(C[C@@H]3CNCCO3)n2)cc1[N+](=O)[O-] ZINC000843169843 672067314 /nfs/dbraw/zinc/06/73/14/672067314.db2.gz UISLOJLCRVZTEB-SECBINFHSA-N 0 3 305.294 0.758 20 5 DCBDHN CC(COC(=O)C(C)(C)NC(=O)COC(C)(C)C)[N+](=O)[O-] ZINC000845574516 672264154 /nfs/dbraw/zinc/26/41/54/672264154.db2.gz CMJRQKYOMKSWMO-SECBINFHSA-N 0 3 304.343 0.905 20 5 DCBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2ccn[nH]2)CC1 ZINC000956369725 686689057 /nfs/dbraw/zinc/68/90/57/686689057.db2.gz ZUHATMHIDNSHSJ-MWLCHTKSSA-N 0 3 321.337 0.186 20 5 DCBDHN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC[N@@H+]1C ZINC001590175200 1166801123 /nfs/dbraw/zinc/80/11/23/1166801123.db2.gz MPVRDMRYINGRAF-SFYZADRCSA-N 0 3 318.341 0.862 20 5 DCBDHN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC[N@H+]1C ZINC001590175200 1166801126 /nfs/dbraw/zinc/80/11/26/1166801126.db2.gz MPVRDMRYINGRAF-SFYZADRCSA-N 0 3 318.341 0.862 20 5 DCBDHN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[N@@H+]1C ZINC001590175200 1166801133 /nfs/dbraw/zinc/80/11/33/1166801133.db2.gz MPVRDMRYINGRAF-SFYZADRCSA-N 0 3 318.341 0.862 20 5 DCBDHN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[N@H+]1C ZINC001590175200 1166801138 /nfs/dbraw/zinc/80/11/38/1166801138.db2.gz MPVRDMRYINGRAF-SFYZADRCSA-N 0 3 318.341 0.862 20 5 DCBDHN COC[C@@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591370898 1167241159 /nfs/dbraw/zinc/24/11/59/1167241159.db2.gz WSRPTAMUWTXLOA-ZDUSSCGKSA-N 0 3 321.341 0.859 20 5 DCBDHN COC[C@@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591370898 1167241166 /nfs/dbraw/zinc/24/11/66/1167241166.db2.gz WSRPTAMUWTXLOA-ZDUSSCGKSA-N 0 3 321.341 0.859 20 5 DCBDHN CC1(C)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001603787956 1169392240 /nfs/dbraw/zinc/39/22/40/1169392240.db2.gz PTUKQLQRDOIVFL-UHFFFAOYSA-N 0 3 303.326 0.963 20 5 DCBDHN CC1(C)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001603787956 1169392247 /nfs/dbraw/zinc/39/22/47/1169392247.db2.gz PTUKQLQRDOIVFL-UHFFFAOYSA-N 0 3 303.326 0.963 20 5 DCBDHN C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@@H]21 ZINC001604867568 1169721110 /nfs/dbraw/zinc/72/11/10/1169721110.db2.gz RQHGOGVJPKAWGY-KCJUWKMLSA-N 0 3 316.325 0.310 20 5 DCBDHN C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@@H]21 ZINC001604867568 1169721118 /nfs/dbraw/zinc/72/11/18/1169721118.db2.gz RQHGOGVJPKAWGY-KCJUWKMLSA-N 0 3 316.325 0.310 20 5 DCBDHN C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@@H]21 ZINC001604867568 1169721125 /nfs/dbraw/zinc/72/11/25/1169721125.db2.gz RQHGOGVJPKAWGY-KCJUWKMLSA-N 0 3 316.325 0.310 20 5 DCBDHN C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@@H]21 ZINC001604867568 1169721131 /nfs/dbraw/zinc/72/11/31/1169721131.db2.gz RQHGOGVJPKAWGY-KCJUWKMLSA-N 0 3 316.325 0.310 20 5 DCBDHN C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001605443273 1169921243 /nfs/dbraw/zinc/92/12/43/1169921243.db2.gz IKXDJVVTVHZHHO-DTORHVGOSA-N 0 3 303.326 0.962 20 5 DCBDHN C[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001605443273 1169921249 /nfs/dbraw/zinc/92/12/49/1169921249.db2.gz IKXDJVVTVHZHHO-DTORHVGOSA-N 0 3 303.326 0.962 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)CN1CCCC1 ZINC001636962464 1171754348 /nfs/dbraw/zinc/75/43/48/1171754348.db2.gz UBFKZUNIOBFOHK-JTQLQIEISA-N 0 3 308.338 0.364 20 5 DCBDHN O=C(N[C@@H]1CCC[C@@H]1N1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001650739566 1173731725 /nfs/dbraw/zinc/73/17/25/1173731725.db2.gz NOKLUGVTEOBVTP-PWSUYJOCSA-N 0 3 323.353 0.426 20 5 DCBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@H](CCO)[C@H](CO)C1 ZINC001655898381 1173830597 /nfs/dbraw/zinc/83/05/97/1173830597.db2.gz IJFZZGWFFJOKFI-STQMWFEESA-N 0 3 310.350 0.896 20 5 DCBDHN COC(=O)C1CC(N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001665607251 1174536108 /nfs/dbraw/zinc/53/61/08/1174536108.db2.gz XGKHBOTWJDBALW-GVOSGWPFSA-N 0 3 324.333 0.530 20 5 DCBDHN CCc1onc(C)c1CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001716292182 1182310304 /nfs/dbraw/zinc/31/03/04/1182310304.db2.gz FJNRYVVJFWLBJM-FTGSRHIXSA-N 0 3 322.365 0.973 20 5 DCBDHN Cc1cncc(CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001732581760 1185859297 /nfs/dbraw/zinc/85/92/97/1185859297.db2.gz OAMIOMYUQOWGJU-ZIAGYGMSSA-N 0 3 306.366 0.945 20 5 DCBDHN Cn1cncc1CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001147871730 767866137 /nfs/dbraw/zinc/86/61/37/767866137.db2.gz JRQZKWCAKMJZIF-UHFFFAOYSA-N 0 3 317.349 0.777 20 5 DCBDHN COC(=O)[C@@H]1COCCC12CN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169036176 760554869 /nfs/dbraw/zinc/55/48/69/760554869.db2.gz FQMUZSNDVNRAAQ-AVGNSLFASA-N 0 3 312.366 0.943 20 5 DCBDHN CN(C)CCONC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001118705182 766410863 /nfs/dbraw/zinc/41/08/63/766410863.db2.gz LCHFZRPDHYCULM-UHFFFAOYSA-N 0 3 320.309 0.399 20 5 DCBDHN O=C(NCCCNCc1nnc(C2CC2)o1)[C@@H]1CC1[N+](=O)[O-] ZINC001157760296 771664633 /nfs/dbraw/zinc/66/46/33/771664633.db2.gz AWAINAJBZQLIRP-NXEZZACHSA-N 0 3 309.326 0.208 20 5 DCBDHN CN(c1ccc([N+](=O)[O-])c2cnccc21)S(=O)(=O)CCN ZINC001164296704 772640674 /nfs/dbraw/zinc/64/06/74/772640674.db2.gz LVJZMXGRNZKABK-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN Cc1cc([N+](=O)[O-])c(N(C2CNC2)S(C)(=O)=O)nc1Cl ZINC001166967158 772891994 /nfs/dbraw/zinc/89/19/94/772891994.db2.gz BGMFYQXRJBEGST-UHFFFAOYSA-N 0 3 320.758 0.689 20 5 DCBDHN NC(=O)[C@@H](C1CC1)N(CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC001197087492 773687974 /nfs/dbraw/zinc/68/79/74/773687974.db2.gz XHLFXIAAMCVSKL-CYBMUJFWSA-N 0 3 307.354 0.767 20 5 DCBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CNC(C)=O ZINC001482907637 941704416 /nfs/dbraw/zinc/70/44/16/941704416.db2.gz SALPZLLEQWQSTI-UHFFFAOYSA-N 0 3 322.365 0.669 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnc(C)o1 ZINC001317540214 945034263 /nfs/dbraw/zinc/03/42/63/945034263.db2.gz GYDLPYWEUSIZFJ-CHWSQXEVSA-N 0 3 310.354 0.976 20 5 DCBDHN CCN1CCN([C@@H](C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001320399252 945858938 /nfs/dbraw/zinc/85/89/38/945858938.db2.gz MYJJKDFAKIETHM-NSHDSACASA-N 0 3 324.385 0.084 20 5 DCBDHN CN(C)CCN(C)C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001326865575 948307671 /nfs/dbraw/zinc/30/76/71/948307671.db2.gz AWEMABLVYSGXML-UHFFFAOYSA-N 0 3 322.365 0.573 20 5 DCBDHN CCn1c(C[N+](=O)[O-])nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001356349890 956838845 /nfs/dbraw/zinc/83/88/45/956838845.db2.gz VSWHCONOLXJZGW-LBPRGKRZSA-N 0 3 324.385 0.233 20 5 DCBDHN COC(=O)[C@@]1(O)CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001308034501 960165579 /nfs/dbraw/zinc/16/55/79/960165579.db2.gz REFMTTBBAMIIHF-OAHLLOKOSA-N 0 3 324.333 0.974 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@]12CCN(C1)CCC2 ZINC001535857611 1011989193 /nfs/dbraw/zinc/98/91/93/1011989193.db2.gz YSSVTVRQDPSGPL-AWEZNQCLSA-N 0 3 307.354 0.844 20 5 DCBDHN Cc1cc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC001499221376 1017757952 /nfs/dbraw/zinc/75/79/52/1017757952.db2.gz NYXQEJBMPMHTTI-VXGBXAGGSA-N 0 3 305.338 0.189 20 5 DCBDHN CN1CC[C@@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000272634816 210038649 /nfs/dbraw/zinc/03/86/49/210038649.db2.gz XKLOWKJSLCQPST-YPMHNXCESA-N 0 3 322.369 0.527 20 5 DCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CNCCC2(F)F)c1 ZINC000420437394 240030300 /nfs/dbraw/zinc/03/03/00/240030300.db2.gz CJHNUVOUNWLIHU-SNVBAGLBSA-N 0 3 321.305 0.870 20 5 DCBDHN O=C(NC[C@H]1NCCc2ccccc21)c1cc([N+](=O)[O-])n[nH]1 ZINC000423660920 240233094 /nfs/dbraw/zinc/23/30/94/240233094.db2.gz DDKTWEMKUGVQIO-GFCCVEGCSA-N 0 3 301.306 0.935 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1C=C[C@H](CO)C1 ZINC000567111168 291337701 /nfs/dbraw/zinc/33/77/01/291337701.db2.gz MAOXQCZRGNXRTC-XQQFMLRXSA-N 0 3 308.334 0.861 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2c3ccccc3C[C@H]2O)c1 ZINC000567874327 291386975 /nfs/dbraw/zinc/38/69/75/291386975.db2.gz LSPAHRISZDBLQM-YUELXQCFSA-N 0 3 318.333 0.400 20 5 DCBDHN CS[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271769967 209197493 /nfs/dbraw/zinc/19/74/93/209197493.db2.gz IMMOUIITIGCPAA-SCZZXKLOSA-N 0 3 313.383 0.446 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(CO)CCOCC1 ZINC000346005028 253998179 /nfs/dbraw/zinc/99/81/79/253998179.db2.gz ZLUPYMISZAQMQC-UHFFFAOYSA-N 0 3 323.349 0.973 20 5 DCBDHN CN(C)CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000348752915 254252156 /nfs/dbraw/zinc/25/21/56/254252156.db2.gz VMEWFASGRLSQTH-UHFFFAOYSA-N 0 3 318.337 0.781 20 5 DCBDHN CN(C)CCN(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351578325 254348745 /nfs/dbraw/zinc/34/87/45/254348745.db2.gz XFQLDYLHSIAQFC-UHFFFAOYSA-N 0 3 312.301 0.692 20 5 DCBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000046946370 395782956 /nfs/dbraw/zinc/78/29/56/395782956.db2.gz XVBCUBREQKLLTD-NSHDSACASA-N 0 3 310.354 0.944 20 5 DCBDHN CCN(CCO)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000274627228 395962708 /nfs/dbraw/zinc/96/27/08/395962708.db2.gz HFZCXJURSSLOFR-UHFFFAOYSA-N 0 3 324.381 0.751 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(CC2CC2)C1 ZINC000151059893 395977734 /nfs/dbraw/zinc/97/77/34/395977734.db2.gz XGWNIAPUURSXOI-LBPRGKRZSA-N 0 3 322.369 0.575 20 5 DCBDHN C[C@@H]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000151322895 395983989 /nfs/dbraw/zinc/98/39/89/395983989.db2.gz KHPYNHOYUWJOQD-MNOVXSKESA-N 0 3 322.369 0.716 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@@H]1c1cccnc1 ZINC000261768709 396063398 /nfs/dbraw/zinc/06/33/98/396063398.db2.gz ORXBUNXWKOKIQY-GFCCVEGCSA-N 0 3 302.338 0.870 20 5 DCBDHN Cn1ccnc1[C@@H]1CNCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000261782739 396064824 /nfs/dbraw/zinc/06/48/24/396064824.db2.gz PNAUTXKEGONCIZ-JTQLQIEISA-N 0 3 305.342 0.208 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCCN1C1CC1 ZINC000278062626 396104358 /nfs/dbraw/zinc/10/43/58/396104358.db2.gz WKSIZLHUUHBSHP-GFCCVEGCSA-N 0 3 307.354 0.924 20 5 DCBDHN C[C@@H]1CCSCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279322878 396166055 /nfs/dbraw/zinc/16/60/55/396166055.db2.gz SMEUYUPFPFISEH-PWSUYJOCSA-N 0 3 300.384 0.980 20 5 DCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1c([N+](=O)[O-])ncn1C ZINC000263689219 396223490 /nfs/dbraw/zinc/22/34/90/396223490.db2.gz JQEKCYFECBVWHV-LLVKDONJSA-N 0 3 324.385 0.683 20 5 DCBDHN CN(C(=O)CNC1(CO)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000264593905 396294666 /nfs/dbraw/zinc/29/46/66/396294666.db2.gz BBDKHNHRDNOOLT-UHFFFAOYSA-N 0 3 323.349 0.689 20 5 DCBDHN O=C([C@H]1C[C@H](F)CN1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000188206801 396379695 /nfs/dbraw/zinc/37/96/95/396379695.db2.gz QCDIYAQKSJDWDQ-SMDDNHRTSA-N 0 3 322.340 0.943 20 5 DCBDHN CN1CCC2(CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1=O ZINC000373147868 396569633 /nfs/dbraw/zinc/56/96/33/396569633.db2.gz QFJBRVUJEDEAJW-UHFFFAOYSA-N 0 3 307.354 0.736 20 5 DCBDHN COc1cccc([N+](=O)[O-])c1N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000596014017 396707814 /nfs/dbraw/zinc/70/78/14/396707814.db2.gz KKCXYWBQFAVCGJ-ZJUUUORDSA-N 0 3 306.322 0.352 20 5 DCBDHN N[C@@H]1C[C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CCN2C1=O ZINC000596014316 396708347 /nfs/dbraw/zinc/70/83/47/396708347.db2.gz NNWFXYIEKCQEKU-IONNQARKSA-N 0 3 311.729 0.391 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302239262 396718803 /nfs/dbraw/zinc/71/88/03/396718803.db2.gz HIMITVUJGJHOOH-JTQLQIEISA-N 0 3 309.374 0.405 20 5 DCBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000610925097 396785398 /nfs/dbraw/zinc/78/53/98/396785398.db2.gz MSXZXJMPESDQGW-NSHDSACASA-N 0 3 308.338 0.906 20 5 DCBDHN CN(C)C1(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596274294 396750852 /nfs/dbraw/zinc/75/08/52/396750852.db2.gz DRGZFBVXNPFHKO-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@]1(O)CCOC1)OCCO2 ZINC000611108429 396818230 /nfs/dbraw/zinc/81/82/30/396818230.db2.gz QHUFILBGXMPOIY-AWEZNQCLSA-N 0 3 310.306 0.607 20 5 DCBDHN CN(C)[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000590600406 396812566 /nfs/dbraw/zinc/81/25/66/396812566.db2.gz WFRMAOWMMNSDSV-KBPBESRZSA-N 0 3 322.365 0.164 20 5 DCBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1COCCN1 ZINC000600678550 396915625 /nfs/dbraw/zinc/91/56/25/396915625.db2.gz SSSLSEGYSWQPDQ-AAEUAGOBSA-N 0 3 322.365 0.890 20 5 DCBDHN CC1(C)CN[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000591686504 396977112 /nfs/dbraw/zinc/97/71/12/396977112.db2.gz NPMNWYRGVMJWTC-LBPRGKRZSA-N 0 3 307.354 0.953 20 5 DCBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCCC[NH2+]1 ZINC000592367273 397161838 /nfs/dbraw/zinc/16/18/38/397161838.db2.gz NEVUKACQTQVZRN-SECBINFHSA-N 0 3 300.340 0.410 20 5 DCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC(=O)N(C)C1 ZINC000593994741 397490620 /nfs/dbraw/zinc/49/06/20/397490620.db2.gz IUHHOUCVQJEELS-LLVKDONJSA-N 0 3 308.338 0.309 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2cnc(CCNC(CO)CO)o2)c1 ZINC000594001894 397491909 /nfs/dbraw/zinc/49/19/09/397491909.db2.gz CIMTXJPIFNWBSR-UHFFFAOYSA-N 0 3 307.306 0.735 20 5 DCBDHN CN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000604103799 397631344 /nfs/dbraw/zinc/63/13/44/397631344.db2.gz TWOQERHMSOPTLE-UHFFFAOYSA-N 0 3 309.370 0.680 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000609132860 397761274 /nfs/dbraw/zinc/76/12/74/397761274.db2.gz YWYUJBIDSAOROX-UHFFFAOYSA-N 0 3 322.369 0.073 20 5 DCBDHN C[C@H](CN1CCCCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000126194211 158264104 /nfs/dbraw/zinc/26/41/04/158264104.db2.gz ZWWYYVYHYWHOQX-GFCCVEGCSA-N 0 3 322.365 0.747 20 5 DCBDHN Cc1nn(C)c(C(=O)N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000171451823 158383393 /nfs/dbraw/zinc/38/33/93/158383393.db2.gz VMWPETGFZIQVPG-NSHDSACASA-N 0 3 307.354 0.947 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](n3cccn3)C2)c1 ZINC000362888528 159273132 /nfs/dbraw/zinc/27/31/32/159273132.db2.gz JVCOKFANGXNWEL-JSGCOSHPSA-N 0 3 320.353 0.686 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([C@H]3CCOC3)CC2)c1 ZINC000368273360 159385135 /nfs/dbraw/zinc/38/51/35/159385135.db2.gz QFDGYMCPUDPGIW-ZFWWWQNUSA-N 0 3 324.381 0.901 20 5 DCBDHN CC(C)(O)CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000131747880 287002205 /nfs/dbraw/zinc/00/22/05/287002205.db2.gz SCTRXODVYIAJAS-UHFFFAOYSA-N 0 3 324.381 0.145 20 5 DCBDHN CN(C)CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000342541517 415206448 /nfs/dbraw/zinc/20/64/48/415206448.db2.gz UOEPFQNMEZBRCP-UHFFFAOYSA-N 0 3 309.322 0.586 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CN(C)C[C@H]3C2)n1 ZINC000343054017 415426608 /nfs/dbraw/zinc/42/66/08/415426608.db2.gz NTJYGOYZDLJNEW-UWVGGRQHSA-N 0 3 306.322 0.774 20 5 DCBDHN COC(=O)CC[C@@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000288864717 415697522 /nfs/dbraw/zinc/69/75/22/415697522.db2.gz XZAXOXOOLMEUKP-LLVKDONJSA-N 0 3 309.322 0.534 20 5 DCBDHN CO[C@H](CN)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000289955181 415742085 /nfs/dbraw/zinc/74/20/85/415742085.db2.gz MKHZNXRKRMMEDC-CYBMUJFWSA-N 0 3 310.354 0.795 20 5 DCBDHN CCN1CCN(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357314195 416061945 /nfs/dbraw/zinc/06/19/45/416061945.db2.gz KXBPJLGAWFJTMI-UHFFFAOYSA-N 0 3 322.369 0.138 20 5 DCBDHN CN(C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])nn2C)CCSC1 ZINC000357042139 416024790 /nfs/dbraw/zinc/02/47/90/416024790.db2.gz GCTWCHMCWMTQQP-LBPRGKRZSA-N 0 3 313.383 0.495 20 5 DCBDHN CCN1CCN([C@@H](C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000345433399 416095250 /nfs/dbraw/zinc/09/52/50/416095250.db2.gz FVUUYQZYOLZJPM-JTQLQIEISA-N 0 3 310.358 0.074 20 5 DCBDHN CCN1CCN([C@@H](C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000345433399 416095254 /nfs/dbraw/zinc/09/52/54/416095254.db2.gz FVUUYQZYOLZJPM-JTQLQIEISA-N 0 3 310.358 0.074 20 5 DCBDHN CN1CCC[C@]2(CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)C1 ZINC000583761853 416482394 /nfs/dbraw/zinc/48/23/94/416482394.db2.gz DIZQUYQOQZAMRI-HNNXBMFYSA-N 0 3 319.365 1.130 20 5 DCBDHN CN(C)CCn1cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cn1 ZINC000594260542 416558148 /nfs/dbraw/zinc/55/81/48/416558148.db2.gz ZWMCYPSYAADNCU-UHFFFAOYSA-N 0 3 319.325 0.582 20 5 DCBDHN CO[C@@H]1COC[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584349089 416513600 /nfs/dbraw/zinc/51/36/00/416513600.db2.gz BUVCWVQFJUCCNX-MISXGVKJSA-N 0 3 312.322 0.338 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000423998073 416603368 /nfs/dbraw/zinc/60/33/68/416603368.db2.gz ZJKPTMXJXXRNFB-LBPRGKRZSA-N 0 3 320.349 0.887 20 5 DCBDHN O=[N+]([O-])c1cnc2ccc(NCCCN3CCC(O)CC3)nn21 ZINC000596084519 416575664 /nfs/dbraw/zinc/57/56/64/416575664.db2.gz AVXWRWCPAXWJNQ-UHFFFAOYSA-N 0 3 320.353 0.896 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516937918 416760255 /nfs/dbraw/zinc/76/02/55/416760255.db2.gz GTDGZHKZRCKHCW-KBPBESRZSA-N 0 3 304.350 0.647 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000558668000 416784765 /nfs/dbraw/zinc/78/47/65/416784765.db2.gz MOUGNJWKKIWCMV-UHFFFAOYSA-N 0 3 323.397 0.689 20 5 DCBDHN COc1cccc(C(=O)NC[C@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000444364069 416835982 /nfs/dbraw/zinc/83/59/82/416835982.db2.gz KRTLKJKZCFXABK-CQSZACIVSA-N 0 3 309.322 0.400 20 5 DCBDHN Cc1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000569021056 417205616 /nfs/dbraw/zinc/20/56/16/417205616.db2.gz NCUUPHDNZTWPTB-ZYHUDNBSSA-N 0 3 318.333 0.287 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CNCCN1C ZINC000414966579 417316262 /nfs/dbraw/zinc/31/62/62/417316262.db2.gz OOKQFUCMGKUOCG-AWEZNQCLSA-N 0 3 308.382 0.987 20 5 DCBDHN CN1C[C@@H]2CCCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])[C@@H]2C1 ZINC000570823964 417396336 /nfs/dbraw/zinc/39/63/36/417396336.db2.gz PBQYJFGGJCNUNR-GXSJLCMTSA-N 0 3 305.338 0.738 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCSC[C@H]2C2CC2)c1 ZINC000576467315 417611758 /nfs/dbraw/zinc/61/17/58/417611758.db2.gz WQAXXCSQZORCSC-STQMWFEESA-N 0 3 312.395 0.980 20 5 DCBDHN CNc1nccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000579255320 417690263 /nfs/dbraw/zinc/69/02/63/417690263.db2.gz BRIFVTSMJPMIME-CMPLNLGQSA-N 0 3 321.381 1.444 20 5 DCBDHN CN(C)CC(C)(C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457229576 417697388 /nfs/dbraw/zinc/69/73/88/417697388.db2.gz ZENGJQSXIUOSPI-UHFFFAOYSA-N 0 3 322.365 0.781 20 5 DCBDHN COCC[C@]1(NCCn2cc([N+](=O)[O-])ccc2=O)CCOC1 ZINC000447381369 271786480 /nfs/dbraw/zinc/78/64/80/271786480.db2.gz GUUFIJBDJLHJHD-AWEZNQCLSA-N 0 3 311.338 0.542 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492602028 272136613 /nfs/dbraw/zinc/13/66/13/272136613.db2.gz HAGKCAMBGIEBME-IDTUSYRASA-N 0 3 305.334 0.791 20 5 DCBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000552083215 288264095 /nfs/dbraw/zinc/26/40/95/288264095.db2.gz WRCBGAJBBAJVRN-JTQLQIEISA-N 0 3 308.338 0.391 20 5 DCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000582024849 333171111 /nfs/dbraw/zinc/17/11/11/333171111.db2.gz OGFFYARAIHNYAS-HNNXBMFYSA-N 0 3 323.324 0.920 20 5 DCBDHN C[C@@H]1C[C@@H](C)CN(CCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1 ZINC000582252542 336394761 /nfs/dbraw/zinc/39/47/61/336394761.db2.gz KIYCYNKNLUBORE-GHMZBOCLSA-N 0 3 322.365 0.833 20 5 DCBDHN O=C(NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000582803827 337177326 /nfs/dbraw/zinc/17/73/26/337177326.db2.gz PXBADDMXIJOLJF-CYBMUJFWSA-N 0 3 323.349 0.450 20 5 DCBDHN N[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCC1 ZINC000399242133 337314558 /nfs/dbraw/zinc/31/45/58/337314558.db2.gz UOEACQLXQXUIAB-CQSZACIVSA-N 0 3 319.365 0.766 20 5 DCBDHN CCN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285528948 535691987 /nfs/dbraw/zinc/69/19/87/535691987.db2.gz KTKUYWDDKMTZAO-UHFFFAOYSA-N 0 3 324.385 0.465 20 5 DCBDHN O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000738367959 598498878 /nfs/dbraw/zinc/49/88/78/598498878.db2.gz ACBOTMUSWHDJOB-SECBINFHSA-N 0 3 316.325 0.454 20 5 DCBDHN O=[N+]([O-])c1cnc(N2CC[N@H+]3CCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000738367959 598498879 /nfs/dbraw/zinc/49/88/79/598498879.db2.gz ACBOTMUSWHDJOB-SECBINFHSA-N 0 3 316.325 0.454 20 5 DCBDHN O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC000738367959 598498881 /nfs/dbraw/zinc/49/88/81/598498881.db2.gz ACBOTMUSWHDJOB-SECBINFHSA-N 0 3 316.325 0.454 20 5 DCBDHN O=[N+]([O-])c1cnc(N2CC[N@H+]3CCC[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC000738367959 598498883 /nfs/dbraw/zinc/49/88/83/598498883.db2.gz ACBOTMUSWHDJOB-SECBINFHSA-N 0 3 316.325 0.454 20 5 DCBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H]2CCCS2(=O)=O)cc1 ZINC000158667602 658546486 /nfs/dbraw/zinc/54/64/86/658546486.db2.gz MWIPTGBWSJFMAL-STQMWFEESA-N 0 3 314.363 0.795 20 5 DCBDHN Cc1n[nH]c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000725895553 659260611 /nfs/dbraw/zinc/26/06/11/659260611.db2.gz HACDOXUYLVYAGB-ZJUUUORDSA-N 0 3 309.326 0.219 20 5 DCBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000893754077 661404751 /nfs/dbraw/zinc/40/47/51/661404751.db2.gz VVKXTFQLLBBMNU-STQMWFEESA-N 0 3 322.369 0.669 20 5 DCBDHN Cc1noc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983649794 661996842 /nfs/dbraw/zinc/99/68/42/661996842.db2.gz SBRLZXQEURDVJY-GWOFURMSSA-N 0 3 309.326 0.028 20 5 DCBDHN CN1CCN(C)CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000897099306 662393742 /nfs/dbraw/zinc/39/37/42/662393742.db2.gz KWVHFJVHVAELLR-UHFFFAOYSA-N 0 3 318.381 0.926 20 5 DCBDHN CN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000899726808 663182277 /nfs/dbraw/zinc/18/22/77/663182277.db2.gz WDLGKSNGHVHFJI-UHFFFAOYSA-N 0 3 301.730 0.902 20 5 DCBDHN COc1c(C(=O)N(C)CCN(C)CCO)cccc1[N+](=O)[O-] ZINC000912603767 664191963 /nfs/dbraw/zinc/19/19/63/664191963.db2.gz BYIBEYMPGQVLFP-UHFFFAOYSA-N 0 3 311.338 0.600 20 5 DCBDHN O=[N+]([O-])c1cnn(CN2CCN(CC3CCOCC3)CC2)c1 ZINC000172407506 664621210 /nfs/dbraw/zinc/62/12/10/664621210.db2.gz JFGAVLIHWRINQM-UHFFFAOYSA-N 0 3 309.370 0.793 20 5 DCBDHN Cc1nnc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000997773211 665336597 /nfs/dbraw/zinc/33/65/97/665336597.db2.gz UZDUOPWHCNBESQ-VXGBXAGGSA-N 0 3 323.353 0.371 20 5 DCBDHN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1(N2CCOCC2)CCCC1 ZINC000839693660 668131827 /nfs/dbraw/zinc/13/18/27/668131827.db2.gz PSELNZUVTHUSDE-JHJVBQTASA-N 0 3 311.382 0.801 20 5 DCBDHN CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000931406836 669195640 /nfs/dbraw/zinc/19/56/40/669195640.db2.gz RKOUOBASEHAMPR-CQSZACIVSA-N 0 3 322.365 0.532 20 5 DCBDHN NC(=O)c1ccnc(NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000811782106 670549352 /nfs/dbraw/zinc/54/93/52/670549352.db2.gz GMROMKFQUVJJIQ-UWVGGRQHSA-N 0 3 321.337 0.364 20 5 DCBDHN CC(COC(=O)c1cccc(CN2C(=O)CNC2=O)c1)[N+](=O)[O-] ZINC000813108555 670611563 /nfs/dbraw/zinc/61/15/63/670611563.db2.gz ZNYHFOSBUKNRFG-VIFPVBQESA-N 0 3 321.289 0.560 20 5 DCBDHN CC(COC(=O)[C@H](C)NS(=O)(=O)c1cccs1)[N+](=O)[O-] ZINC000813107299 670611635 /nfs/dbraw/zinc/61/16/35/670611635.db2.gz OUYQEMVOVLRHGL-SFYZADRCSA-N 0 3 322.364 0.623 20 5 DCBDHN CC(COC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813111900 670612015 /nfs/dbraw/zinc/61/20/15/670612015.db2.gz LGEYAAOYGIWVAO-VIFPVBQESA-N 0 3 318.289 0.793 20 5 DCBDHN CCOC(=O)C[C@@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074678 672059454 /nfs/dbraw/zinc/05/94/54/672059454.db2.gz HTKFBHPDRFZSQP-WCQYABFASA-N 0 3 312.322 0.532 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@@H]2CSCCN2)n1 ZINC000843222276 672072404 /nfs/dbraw/zinc/07/24/04/672072404.db2.gz FSZFEFQFIMHFSK-SSDOTTSWSA-N 0 3 310.339 0.626 20 5 DCBDHN O=[N+]([O-])c1ccnn1CN1CCC(CN2CCOCC2)CC1 ZINC000097506851 685113722 /nfs/dbraw/zinc/11/37/22/685113722.db2.gz MUEFQLSTDQTCTL-UHFFFAOYSA-N 0 3 309.370 0.793 20 5 DCBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1COC2(CNC2)C1 ZINC001580569751 1165641391 /nfs/dbraw/zinc/64/13/91/1165641391.db2.gz CZFGXILJLRZDDX-LLVKDONJSA-N 0 3 309.297 0.524 20 5 DCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CCNC[C@H]1F ZINC001580582819 1165645236 /nfs/dbraw/zinc/64/52/36/1165645236.db2.gz YNLSNMVBUVILSI-NEPJUHHUSA-N 0 3 321.312 0.761 20 5 DCBDHN C[NH+](C)CCOCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591020853 1167084915 /nfs/dbraw/zinc/08/49/15/1167084915.db2.gz KEYHWXJCGSILNW-UHFFFAOYSA-N 0 3 322.329 0.160 20 5 DCBDHN C[NH+](C)CCOCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591020853 1167084920 /nfs/dbraw/zinc/08/49/20/1167084920.db2.gz KEYHWXJCGSILNW-UHFFFAOYSA-N 0 3 322.329 0.160 20 5 DCBDHN C[N@@H+]1CC[C@@](O)(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591180695 1167132019 /nfs/dbraw/zinc/13/20/19/1167132019.db2.gz PURGWTVDNYXULO-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@@](O)(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591180695 1167132027 /nfs/dbraw/zinc/13/20/27/1167132027.db2.gz PURGWTVDNYXULO-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@@H+]1CC[C@@](O)(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591180695 1167132034 /nfs/dbraw/zinc/13/20/34/1167132034.db2.gz PURGWTVDNYXULO-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@@](O)(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591180695 1167132039 /nfs/dbraw/zinc/13/20/39/1167132039.db2.gz PURGWTVDNYXULO-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CCC1 ZINC001591215367 1167161060 /nfs/dbraw/zinc/16/10/60/1167161060.db2.gz IOYUSYJRDQWYQC-UHFFFAOYSA-N 0 3 318.341 0.911 20 5 DCBDHN C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CCC1 ZINC001591215367 1167161065 /nfs/dbraw/zinc/16/10/65/1167161065.db2.gz IOYUSYJRDQWYQC-UHFFFAOYSA-N 0 3 318.341 0.911 20 5 DCBDHN C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001591774073 1167373689 /nfs/dbraw/zinc/37/36/89/1167373689.db2.gz QXWYIMVSYOVONL-DTORHVGOSA-N 0 3 303.326 0.962 20 5 DCBDHN C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001591774073 1167373692 /nfs/dbraw/zinc/37/36/92/1167373692.db2.gz QXWYIMVSYOVONL-DTORHVGOSA-N 0 3 303.326 0.962 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001597701983 1168011631 /nfs/dbraw/zinc/01/16/31/1168011631.db2.gz XSCGZLSNHAYNGJ-JTQLQIEISA-N 0 3 321.333 0.806 20 5 DCBDHN C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603834359 1169408635 /nfs/dbraw/zinc/40/86/35/1169408635.db2.gz JTOWBUVERNLOQC-ZJUUUORDSA-N 0 3 318.337 0.978 20 5 DCBDHN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603834359 1169408640 /nfs/dbraw/zinc/40/86/40/1169408640.db2.gz JTOWBUVERNLOQC-ZJUUUORDSA-N 0 3 318.337 0.978 20 5 DCBDHN C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604862294 1169716800 /nfs/dbraw/zinc/71/68/00/1169716800.db2.gz BDIBSOSWRMLVSM-MRVPVSSYSA-N 0 3 318.341 0.863 20 5 DCBDHN C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604862294 1169716809 /nfs/dbraw/zinc/71/68/09/1169716809.db2.gz BDIBSOSWRMLVSM-MRVPVSSYSA-N 0 3 318.341 0.863 20 5 DCBDHN C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604862294 1169716817 /nfs/dbraw/zinc/71/68/17/1169716817.db2.gz BDIBSOSWRMLVSM-MRVPVSSYSA-N 0 3 318.341 0.863 20 5 DCBDHN C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604862294 1169716825 /nfs/dbraw/zinc/71/68/25/1169716825.db2.gz BDIBSOSWRMLVSM-MRVPVSSYSA-N 0 3 318.341 0.863 20 5 DCBDHN CCc1n[nH]c(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001635942218 1171718276 /nfs/dbraw/zinc/71/82/76/1171718276.db2.gz QTHXNQKXNDKIKV-MRVPVSSYSA-N 0 3 309.326 0.083 20 5 DCBDHN O=C(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)NCCN1CCCCC1 ZINC001636609635 1171743252 /nfs/dbraw/zinc/74/32/52/1171743252.db2.gz SNSMZDRTPANWQM-UHFFFAOYSA-N 0 3 323.353 0.255 20 5 DCBDHN COC[C@@]1(CO)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001643116881 1171965786 /nfs/dbraw/zinc/96/57/86/1171965786.db2.gz DNJTYWKWPPLDMC-GJZGRUSLSA-N 0 3 310.350 0.959 20 5 DCBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001647772777 1173055124 /nfs/dbraw/zinc/05/51/24/1173055124.db2.gz GETYYZFSFUJGOF-QMMMGPOBSA-N 0 3 324.312 0.519 20 5 DCBDHN CN1CCC[C@@H]2[C@@H]1CCN2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001651383834 1173748111 /nfs/dbraw/zinc/74/81/11/1173748111.db2.gz PFQVKJOZUFMSBD-WDEREUQCSA-N 0 3 305.338 0.762 20 5 DCBDHN COc1ccc(CNCCNC(=O)c2ccn[nH]2)cc1[N+](=O)[O-] ZINC001655979065 1173831919 /nfs/dbraw/zinc/83/19/19/1173831919.db2.gz KVVXSWODBHSPAS-UHFFFAOYSA-N 0 3 319.321 0.846 20 5 DCBDHN C[C@@](CO)(NC[C@@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC001659768557 1173935423 /nfs/dbraw/zinc/93/54/23/1173935423.db2.gz HLIDQDGWFQOLTM-CABCVRRESA-N 0 3 320.349 0.650 20 5 DCBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ncc[nH]1 ZINC001670087267 1174980021 /nfs/dbraw/zinc/98/00/21/1174980021.db2.gz CJIUKXFHFIRLMH-UHFFFAOYSA-N 0 3 321.341 0.303 20 5 DCBDHN Cc1cc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])ncn1 ZINC001699257234 1177997720 /nfs/dbraw/zinc/99/77/20/1177997720.db2.gz NGGMXNKCXPHIPR-XCUNLHGCSA-N 0 3 305.338 0.212 20 5 DCBDHN CN(CCCN(C)C(=O)CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001700183717 1178521798 /nfs/dbraw/zinc/52/17/98/1178521798.db2.gz OBXSHYHRJBCBTE-UHFFFAOYSA-N 0 3 322.365 0.751 20 5 DCBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cnnn1C ZINC001713588021 1180945729 /nfs/dbraw/zinc/94/57/29/1180945729.db2.gz MPTOKFLJGZXXEE-UHFFFAOYSA-N 0 3 318.337 0.585 20 5 DCBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C(N)=O ZINC001753199421 1188531709 /nfs/dbraw/zinc/53/17/09/1188531709.db2.gz MKFZXFFZWVCUKK-UHFFFAOYSA-N 0 3 322.365 0.654 20 5 DCBDHN CN(C)C(=O)CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001167789087 748308610 /nfs/dbraw/zinc/30/86/10/748308610.db2.gz TVKHPQRHNJLWCW-UHFFFAOYSA-N 0 3 322.365 0.669 20 5 DCBDHN CS(=O)(=O)N1CC(Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001168220417 749654707 /nfs/dbraw/zinc/65/47/07/749654707.db2.gz CYSAKJQQMBFTLL-UHFFFAOYSA-N 0 3 312.351 0.254 20 5 DCBDHN Cc1cnoc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001170038021 761644736 /nfs/dbraw/zinc/64/47/36/761644736.db2.gz ZIBRTVRUNKQSJG-UHFFFAOYSA-N 0 3 322.325 0.534 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccnn1CCN(C)C ZINC001129434715 762942586 /nfs/dbraw/zinc/94/25/86/762942586.db2.gz UYLIAVVGEQPVEI-UHFFFAOYSA-N 0 3 321.341 0.497 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cnns1 ZINC001124159983 768155051 /nfs/dbraw/zinc/15/50/51/768155051.db2.gz YBOYFKLHAZCHBP-UHFFFAOYSA-N 0 3 307.335 0.966 20 5 DCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC001136492171 766310045 /nfs/dbraw/zinc/31/00/45/766310045.db2.gz SPVSKSZFCZCVPX-DGCLKSJQSA-N 0 3 320.349 0.891 20 5 DCBDHN O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC001122081833 767711711 /nfs/dbraw/zinc/71/17/11/767711711.db2.gz JULMEQJAXRWFGQ-UONOGXRCSA-N 0 3 317.345 0.899 20 5 DCBDHN CCCN(C)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093788290 768726403 /nfs/dbraw/zinc/72/64/03/768726403.db2.gz XEZPPFHLDWYWBS-UHFFFAOYSA-N 0 3 313.333 0.999 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230789707 768853731 /nfs/dbraw/zinc/85/37/31/768853731.db2.gz COPYTVSQBBWEJK-MRVPVSSYSA-O 0 3 314.387 0.193 20 5 DCBDHN O=C(N[C@H]1CCC[C@H]1N1CCC(O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001175181123 769876895 /nfs/dbraw/zinc/87/68/95/769876895.db2.gz RWIGAGHPLNOQAE-NWDGAFQWSA-N 0 3 323.353 0.426 20 5 DCBDHN Cc1cc(Cl)c([N+](=O)[O-])c([N-][C@@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155571419 770548517 /nfs/dbraw/zinc/54/85/17/770548517.db2.gz SPPRAXZYRAMCNZ-UFBFGSQYSA-N 0 3 311.729 0.942 20 5 DCBDHN CN1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC001178709643 770845049 /nfs/dbraw/zinc/84/50/49/770845049.db2.gz QURSFDJGAOSVBA-LLVKDONJSA-N 0 3 308.338 0.213 20 5 DCBDHN O=C(NCCCNCc1nc2c(o1)CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001157767455 771666081 /nfs/dbraw/zinc/66/60/81/771666081.db2.gz NGIIFIDAKUJXTH-ZYHUDNBSSA-N 0 3 322.365 0.815 20 5 DCBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3NCCO[C@H]3C2)n1 ZINC001165269602 772713872 /nfs/dbraw/zinc/71/38/72/772713872.db2.gz OVIGMTYPSDIPFD-IUCAKERBSA-N 0 3 313.745 0.914 20 5 DCBDHN CS(=O)(=O)N(c1cc(Cl)ncc1[N+](=O)[O-])C1CNC1 ZINC001166966728 772891262 /nfs/dbraw/zinc/89/12/62/772891262.db2.gz GHNCFDFGXQCWFS-UHFFFAOYSA-N 0 3 306.731 0.381 20 5 DCBDHN Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1CNCCN1 ZINC001218860468 774316343 /nfs/dbraw/zinc/31/63/43/774316343.db2.gz XHQJIECRCYHSNA-INIZCTEOSA-N 0 3 322.372 0.865 20 5 DCBDHN CC(=O)NCC(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001266626956 939183414 /nfs/dbraw/zinc/18/34/14/939183414.db2.gz DNGKEIVNBQOPAY-UHFFFAOYSA-N 0 3 308.338 0.279 20 5 DCBDHN CN(CCCN(C)C(=O)C(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001280850379 944657299 /nfs/dbraw/zinc/65/72/99/944657299.db2.gz PQVPEKSKTSJUPB-UHFFFAOYSA-N 0 3 308.338 0.360 20 5 DCBDHN Cc1noc(C)c1CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001321051247 946141394 /nfs/dbraw/zinc/14/13/94/946141394.db2.gz KQDFUHZMTPWLEM-NAGRZINJSA-N 0 3 308.338 0.719 20 5 DCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N(C)S(=O)(=O)CCN ZINC001254534696 946407220 /nfs/dbraw/zinc/40/72/20/946407220.db2.gz BJGCCAGGJDUDMF-SNVBAGLBSA-N 0 3 301.368 0.746 20 5 DCBDHN NC(=O)c1ccnc(NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC001307124850 960141718 /nfs/dbraw/zinc/14/17/18/960141718.db2.gz DLXGIEVDLGUGLT-JTQLQIEISA-N 0 3 323.353 0.347 20 5 DCBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCNC(N)=O ZINC001493787693 1019706885 /nfs/dbraw/zinc/70/68/85/1019706885.db2.gz VLMUKGPZIFCXIP-UHFFFAOYSA-N 0 3 323.353 0.201 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272680103 210086063 /nfs/dbraw/zinc/08/60/63/210086063.db2.gz KSWJOTMSTNYEED-SNVBAGLBSA-N 0 3 307.354 0.866 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CCN2C1=O ZINC000566630132 291315987 /nfs/dbraw/zinc/31/59/87/291315987.db2.gz OOJIAYFSHLMCLA-MWLCHTKSSA-N 0 3 317.349 0.311 20 5 DCBDHN O=C(NCCCNCc1cccnc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000422737659 240182798 /nfs/dbraw/zinc/18/27/98/240182798.db2.gz XQDNPNNUULDTBY-UHFFFAOYSA-N 0 3 304.310 0.623 20 5 DCBDHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000351143658 254333604 /nfs/dbraw/zinc/33/36/04/254333604.db2.gz SQBPBGNIYNCYJP-QMMMGPOBSA-N 0 3 312.301 0.739 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000272975468 130079005 /nfs/dbraw/zinc/07/90/05/130079005.db2.gz CWLAKHOBUYLCSP-ZIAGYGMSSA-N 0 3 324.312 0.615 20 5 DCBDHN Cc1c(Cl)cc(S(=O)(=O)NC2CNC2)cc1[N+](=O)[O-] ZINC000090289284 395718504 /nfs/dbraw/zinc/71/85/04/395718504.db2.gz RCVWPWRYNOZXCA-UHFFFAOYSA-N 0 3 305.743 0.807 20 5 DCBDHN CS[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1N(C)C ZINC000271215820 395847256 /nfs/dbraw/zinc/84/72/56/395847256.db2.gz ZFTLGDHLUCDPDV-NXEZZACHSA-N 0 3 313.383 0.295 20 5 DCBDHN CN1CC[C@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000272537025 395898273 /nfs/dbraw/zinc/89/82/73/395898273.db2.gz BPTIEYOUOFZOMT-AAEUAGOBSA-N 0 3 307.354 0.734 20 5 DCBDHN CNS(=O)(=O)c1ccc(N2CCNC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000054375004 395898865 /nfs/dbraw/zinc/89/88/65/395898865.db2.gz USAKYEGPCSHMHF-VIFPVBQESA-N 0 3 314.367 0.301 20 5 DCBDHN [NH3+]CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000139450986 395954790 /nfs/dbraw/zinc/95/47/90/395954790.db2.gz HIHNZUVPTJXHPS-UHFFFAOYSA-N 0 3 313.257 0.851 20 5 DCBDHN COc1ccc(CNC(=O)[C@H](N)C2CCOCC2)cc1[N+](=O)[O-] ZINC000261796836 396067495 /nfs/dbraw/zinc/06/74/95/396067495.db2.gz NYARKJOXRYFAOG-CQSZACIVSA-N 0 3 323.349 0.974 20 5 DCBDHN COC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCO1 ZINC000279102073 396153371 /nfs/dbraw/zinc/15/33/71/396153371.db2.gz RDHWIPSGIAKBMW-QWHCGFSZSA-N 0 3 311.338 0.540 20 5 DCBDHN COC(=O)[C@@]1(C)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177465423 396176822 /nfs/dbraw/zinc/17/68/22/396176822.db2.gz BSLZUQSPYUSFLY-AAEUAGOBSA-N 0 3 312.326 0.037 20 5 DCBDHN CN(Cc1cccc(O)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000080918552 396289264 /nfs/dbraw/zinc/28/92/64/396289264.db2.gz ODPBMMBAJIBZLQ-AWEZNQCLSA-N 0 3 306.322 0.990 20 5 DCBDHN Cc1n[n-]c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265730499 396340120 /nfs/dbraw/zinc/34/01/20/396340120.db2.gz QOCLNOKKDBLVLK-SECBINFHSA-N 0 3 311.342 0.324 20 5 DCBDHN C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000581245984 396537793 /nfs/dbraw/zinc/53/77/93/396537793.db2.gz COEFEOPJUDULLG-ZJUUUORDSA-N 0 3 317.367 0.232 20 5 DCBDHN Cc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000581677570 396575245 /nfs/dbraw/zinc/57/52/45/396575245.db2.gz GHCKQIATFUFCPG-QWHCGFSZSA-N 0 3 318.333 0.287 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN(CCN2CCOCC2)CC2CC2)c1 ZINC000595808678 396665874 /nfs/dbraw/zinc/66/58/74/396665874.db2.gz PEKVEVUQXMZDGQ-UHFFFAOYSA-N 0 3 323.397 0.836 20 5 DCBDHN Nc1c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588862461 396696035 /nfs/dbraw/zinc/69/60/35/396696035.db2.gz BRFBKASRIDNOAI-WDEREUQCSA-N 0 3 320.349 0.458 20 5 DCBDHN CC(C)CO[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305044630 396733995 /nfs/dbraw/zinc/73/39/95/396733995.db2.gz KVSBWWRZHJFHEV-UONOGXRCSA-N 0 3 312.370 0.899 20 5 DCBDHN CC(C)(CO)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611185934 396829876 /nfs/dbraw/zinc/82/98/76/396829876.db2.gz RRNAUWKAXBPOLA-UHFFFAOYSA-N 0 3 324.381 0.145 20 5 DCBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000564854915 396884386 /nfs/dbraw/zinc/88/43/86/396884386.db2.gz QCJYOAPSEQPCFG-MNOVXSKESA-N 0 3 311.338 0.401 20 5 DCBDHN O=C(NCCN1CC[C@H](O)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600806657 396945899 /nfs/dbraw/zinc/94/58/99/396945899.db2.gz DHYKZEWPJVLIBN-JTQLQIEISA-N 0 3 319.321 0.268 20 5 DCBDHN O=C1C[C@@]2(CN1)CCCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000341678073 396980013 /nfs/dbraw/zinc/98/00/13/396980013.db2.gz WNCKXFCLBMVMLJ-OAHLLOKOSA-N 0 3 320.349 0.359 20 5 DCBDHN CN1CCC[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591747751 396995406 /nfs/dbraw/zinc/99/54/06/396995406.db2.gz FKICHUWDZPKRMI-GXTWGEPZSA-N 0 3 323.349 0.545 20 5 DCBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000591771763 397001798 /nfs/dbraw/zinc/00/17/98/397001798.db2.gz KGTNYPVFUKNCDT-NSHDSACASA-N 0 3 315.395 0.908 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597655547 397046215 /nfs/dbraw/zinc/04/62/15/397046215.db2.gz YKNGVKZTGWYLQW-FPMFFAJLSA-N 0 3 307.350 0.737 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597654508 397046782 /nfs/dbraw/zinc/04/67/82/397046782.db2.gz SDGAPNSJAYVGEI-JTQLQIEISA-N 0 3 313.379 0.726 20 5 DCBDHN CC[C@H]1CN(C)CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000619578240 397153214 /nfs/dbraw/zinc/15/32/14/397153214.db2.gz DPPGMXPYBLSRSS-LBPRGKRZSA-N 0 3 322.365 0.699 20 5 DCBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601422256 397113053 /nfs/dbraw/zinc/11/30/53/397113053.db2.gz RJEYQUAPBPEFJV-UWVGGRQHSA-N 0 3 314.367 0.703 20 5 DCBDHN C[C@@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C ZINC000598893704 397303774 /nfs/dbraw/zinc/30/37/74/397303774.db2.gz BSMTWYSRYZALMO-JTQLQIEISA-N 0 3 323.353 0.783 20 5 DCBDHN CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](CN)C1CC1 ZINC000598914068 397306602 /nfs/dbraw/zinc/30/66/02/397306602.db2.gz WWLYYLXNVSRWEJ-LBPRGKRZSA-N 0 3 306.322 0.729 20 5 DCBDHN O=C1C[C@H](NC2CCOCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000593921268 397480992 /nfs/dbraw/zinc/48/09/92/397480992.db2.gz UAUJJGUOSFJLMW-ZDUSSCGKSA-N 0 3 319.317 0.995 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000579375656 397562170 /nfs/dbraw/zinc/56/21/70/397562170.db2.gz QBTYSLDFNYYNQY-CMPLNLGQSA-N 0 3 318.333 0.287 20 5 DCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CN2CCN1CCC2 ZINC000371237555 397562306 /nfs/dbraw/zinc/56/23/06/397562306.db2.gz CROIKIDXLZLFAN-OAHLLOKOSA-N 0 3 318.377 0.943 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000594358955 397532606 /nfs/dbraw/zinc/53/26/06/397532606.db2.gz AFZOSSGUJVBAAA-STQMWFEESA-N 0 3 311.313 0.410 20 5 DCBDHN CCc1[nH]nc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936773 397544167 /nfs/dbraw/zinc/54/41/67/397544167.db2.gz BWJIKYCASUUSRR-NXEZZACHSA-N 0 3 323.353 0.161 20 5 DCBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936773 397544170 /nfs/dbraw/zinc/54/41/70/397544170.db2.gz BWJIKYCASUUSRR-NXEZZACHSA-N 0 3 323.353 0.161 20 5 DCBDHN Cc1nn(C)c(C(=O)N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000171451829 158383540 /nfs/dbraw/zinc/38/35/40/158383540.db2.gz VMWPETGFZIQVPG-LLVKDONJSA-N 0 3 307.354 0.947 20 5 DCBDHN Cc1nn(C)c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268189739 415172985 /nfs/dbraw/zinc/17/29/85/415172985.db2.gz MVNJQPPWAJUJEL-LDYMZIIASA-N 0 3 307.354 0.849 20 5 DCBDHN CN1CCC[C@]2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)C1 ZINC000356264850 415892593 /nfs/dbraw/zinc/89/25/93/415892593.db2.gz XBRWYEVYNSTMNN-ZDUSSCGKSA-N 0 3 308.342 0.131 20 5 DCBDHN C[C@@H]1CCCN(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000133583292 415948720 /nfs/dbraw/zinc/94/87/20/415948720.db2.gz NSBOPDNNNCZWAF-GFCCVEGCSA-N 0 3 324.385 0.822 20 5 DCBDHN CC(C)N(C)C[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000356739784 415979790 /nfs/dbraw/zinc/97/97/90/415979790.db2.gz KEQSTNRFXCRPIY-LLVKDONJSA-N 0 3 310.354 0.601 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153494752 415982361 /nfs/dbraw/zinc/98/23/61/415982361.db2.gz LQAPUFHPBOPWIL-HNNXBMFYSA-N 0 3 309.366 0.956 20 5 DCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301137885 416076982 /nfs/dbraw/zinc/07/69/82/416076982.db2.gz DNEZFQJYABCCBU-CYBMUJFWSA-N 0 3 319.365 0.733 20 5 DCBDHN CN(C)CCn1cc(NC(=O)c2[nH]ncc2[N+](=O)[O-])ccc1=O ZINC000345025344 416029965 /nfs/dbraw/zinc/02/99/65/416029965.db2.gz VWQOKMOGOVALJI-UHFFFAOYSA-N 0 3 320.309 0.294 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCN(CC3CCOCC3)CC2)n1 ZINC000176249186 416122830 /nfs/dbraw/zinc/12/28/30/416122830.db2.gz LFANVOXSGVBKTC-UHFFFAOYSA-N 0 3 323.397 0.836 20 5 DCBDHN CN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CNC1 ZINC000415738809 416352388 /nfs/dbraw/zinc/35/23/88/416352388.db2.gz UDWCKEARBAYLNA-UHFFFAOYSA-N 0 3 312.713 0.617 20 5 DCBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1(C(N)=O)CC1 ZINC000361585422 416454507 /nfs/dbraw/zinc/45/45/07/416454507.db2.gz IHIRMERBNXALEA-SECBINFHSA-N 0 3 306.322 0.919 20 5 DCBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000434058937 416457455 /nfs/dbraw/zinc/45/74/55/416457455.db2.gz WSVQCQOGZKVUNF-MNOVXSKESA-N 0 3 308.342 0.272 20 5 DCBDHN N[C@H]1C[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489690 416987183 /nfs/dbraw/zinc/98/71/83/416987183.db2.gz BTLZWKFIQPWBOP-KGLIPLIRSA-N 0 3 304.350 0.381 20 5 DCBDHN NC1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000449354280 417140281 /nfs/dbraw/zinc/14/02/81/417140281.db2.gz LVQJOLPGYHSKIG-SNVBAGLBSA-N 0 3 305.338 0.884 20 5 DCBDHN COC(=O)Cc1ccc(NC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000450439926 417228662 /nfs/dbraw/zinc/22/86/62/417228662.db2.gz PCDSSSYRUHOXMZ-HNNXBMFYSA-N 0 3 323.349 0.789 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3COCCO3)C2)nc1 ZINC000450556794 417241070 /nfs/dbraw/zinc/24/10/70/417241070.db2.gz BDLOSZHEANVXKH-AAEUAGOBSA-N 0 3 308.338 0.891 20 5 DCBDHN CCOc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000571209284 417436189 /nfs/dbraw/zinc/43/61/89/417436189.db2.gz YQIHOMCFFWZXIF-LBPRGKRZSA-N 0 3 322.365 0.708 20 5 DCBDHN C[C@@H]1CCCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000299550716 229201621 /nfs/dbraw/zinc/20/16/21/229201621.db2.gz VYMVZIDGVUFBPF-GFCCVEGCSA-N 0 3 322.365 0.605 20 5 DCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CNCCO1 ZINC000418768618 262288363 /nfs/dbraw/zinc/28/83/63/262288363.db2.gz PELZEYDSMMSFAX-LBPRGKRZSA-N 0 3 308.338 0.725 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000418773345 262288604 /nfs/dbraw/zinc/28/86/04/262288604.db2.gz BXYMSEYCEBATKU-ZWNOBZJWSA-N 0 3 320.349 0.722 20 5 DCBDHN CNc1c(C(=O)NC[C@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000360951616 271169570 /nfs/dbraw/zinc/16/95/70/271169570.db2.gz QRAMZCBCFVKJJF-AWEZNQCLSA-N 0 3 310.354 0.679 20 5 DCBDHN CN1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000493689095 272204852 /nfs/dbraw/zinc/20/48/52/272204852.db2.gz QQEZWARWMQNXRG-DXTPNHAXSA-N 0 3 322.340 0.848 20 5 DCBDHN CCN(CCO)CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000546719805 288028188 /nfs/dbraw/zinc/02/81/88/288028188.db2.gz GOFVHYZMYPCELO-UHFFFAOYSA-N 0 3 310.354 0.681 20 5 DCBDHN C[C@@H](CNCCOc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000562993578 288613849 /nfs/dbraw/zinc/61/38/49/288613849.db2.gz JSPUQJWPHQLQEJ-JTQLQIEISA-N 0 3 302.352 0.996 20 5 DCBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000564854912 288778256 /nfs/dbraw/zinc/77/82/56/288778256.db2.gz QCJYOAPSEQPCFG-GHMZBOCLSA-N 0 3 311.338 0.401 20 5 DCBDHN Cc1c([C@@H](C)NCC(=O)N2CCNCC2)cccc1[N+](=O)[O-] ZINC000576575617 341852907 /nfs/dbraw/zinc/85/29/07/341852907.db2.gz GYTRPYMBRVODPO-GFCCVEGCSA-N 0 3 306.366 0.986 20 5 DCBDHN Cc1noc(CN2CC[C@@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000934271279 658264165 /nfs/dbraw/zinc/26/41/65/658264165.db2.gz GFEPIFBPIWPTSO-NWDGAFQWSA-N 0 3 310.354 0.922 20 5 DCBDHN O=C(N[C@@H]1[C@H]2CN(Cc3cncs3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777616 659554533 /nfs/dbraw/zinc/55/45/33/659554533.db2.gz NTDWLIRFKIZPCH-ZIQFBCGOSA-N 0 3 308.363 0.355 20 5 DCBDHN Cc1oncc1CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000673135 665914260 /nfs/dbraw/zinc/91/42/60/665914260.db2.gz FDKUDRCUYOTXLF-ZIAGYGMSSA-N 0 3 320.349 0.897 20 5 DCBDHN CN(CCO)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000899738824 663185352 /nfs/dbraw/zinc/18/53/52/663185352.db2.gz NEGOOSDSKCSHJT-UHFFFAOYSA-N 0 3 309.366 0.913 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CO)C2CC2)cc1 ZINC000771806905 668752422 /nfs/dbraw/zinc/75/24/22/668752422.db2.gz JOLHHHPAMSEMMP-ZDUSSCGKSA-N 0 3 314.363 0.729 20 5 DCBDHN Cc1cc(Cn2nnc(C(=O)OCC(C)[N+](=O)[O-])c2C)on1 ZINC000797279371 669961843 /nfs/dbraw/zinc/96/18/43/669961843.db2.gz KSUXROFOYLTJTR-MRVPVSSYSA-N 0 3 309.282 0.753 20 5 DCBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H](CO)CN1CCCC1 ZINC000808221412 670399961 /nfs/dbraw/zinc/39/99/61/670399961.db2.gz QCZFWNIXKRNWIK-GFCCVEGCSA-N 0 3 322.365 0.580 20 5 DCBDHN CC(COC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)[N+](=O)[O-] ZINC000813107298 670611607 /nfs/dbraw/zinc/61/16/07/670611607.db2.gz OUYQEMVOVLRHGL-JGVFFNPUSA-N 0 3 322.364 0.623 20 5 DCBDHN CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813106775 670611896 /nfs/dbraw/zinc/61/18/96/670611896.db2.gz GYKIHIZXVKHUHR-ZJUUUORDSA-N 0 3 308.356 0.257 20 5 DCBDHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104368 670611956 /nfs/dbraw/zinc/61/19/56/670611956.db2.gz ZGLAUIKJWRLKSR-MNOVXSKESA-N 0 3 322.383 0.789 20 5 DCBDHN CC(COC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)[N+](=O)[O-] ZINC000813115124 670612718 /nfs/dbraw/zinc/61/27/18/670612718.db2.gz KWGIBDRASBMXPZ-MNOVXSKESA-N 0 3 307.306 0.639 20 5 DCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CNCCO1 ZINC000818011654 670961658 /nfs/dbraw/zinc/96/16/58/670961658.db2.gz KZJVPOJSKKZVRR-LBPRGKRZSA-N 0 3 319.321 0.049 20 5 DCBDHN O=C(NC[C@H]1CNCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818007768 670961686 /nfs/dbraw/zinc/96/16/86/670961686.db2.gz JLCZOGZJAMCDNL-LLVKDONJSA-N 0 3 310.266 0.221 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823961647 671414329 /nfs/dbraw/zinc/41/43/29/671414329.db2.gz HPPSXQPNESBHAC-CYBMUJFWSA-N 0 3 309.326 0.365 20 5 DCBDHN Cc1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1[N+](=O)[O-] ZINC000825648489 671468779 /nfs/dbraw/zinc/46/87/79/671468779.db2.gz SRHUJLWVSPSLPK-HNNXBMFYSA-N 0 3 318.377 0.909 20 5 DCBDHN C[C@@](N)(C(=O)NCCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576081190 1164234590 /nfs/dbraw/zinc/23/45/90/1164234590.db2.gz KLUDDURPKPBFFQ-HNNXBMFYSA-N 0 3 306.366 0.981 20 5 DCBDHN NC[C@H](O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001580325502 1165571382 /nfs/dbraw/zinc/57/13/82/1165571382.db2.gz AOGSNEXKEHMGOI-ZDUSSCGKSA-N 0 3 309.322 0.284 20 5 DCBDHN CC(C)[N@H+](CCO)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589692665 1166675199 /nfs/dbraw/zinc/67/51/99/1166675199.db2.gz XZYIMNKHQQKQKN-UHFFFAOYSA-N 0 3 306.326 0.978 20 5 DCBDHN CC(C)[N@@H+](CCO)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589692665 1166675202 /nfs/dbraw/zinc/67/52/02/1166675202.db2.gz XZYIMNKHQQKQKN-UHFFFAOYSA-N 0 3 306.326 0.978 20 5 DCBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](C)[NH2+]1 ZINC001591773646 1167371148 /nfs/dbraw/zinc/37/11/48/1167371148.db2.gz BNHQICAISFCBAU-DTORHVGOSA-N 0 3 303.326 0.962 20 5 DCBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](C)[NH2+]1 ZINC001591773646 1167371151 /nfs/dbraw/zinc/37/11/51/1167371151.db2.gz BNHQICAISFCBAU-DTORHVGOSA-N 0 3 303.326 0.962 20 5 DCBDHN C[NH+](C)CCOCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609268363 1170903750 /nfs/dbraw/zinc/90/37/50/1170903750.db2.gz CMRKIGRAFPKCFG-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN C[NH+](C)CCOCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609268363 1170903754 /nfs/dbraw/zinc/90/37/54/1170903754.db2.gz CMRKIGRAFPKCFG-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)CN1CCCC1 ZINC001638118001 1171786440 /nfs/dbraw/zinc/78/64/40/1171786440.db2.gz BVIAENPYPXYRQU-NSHDSACASA-N 0 3 323.349 0.790 20 5 DCBDHN Cn1cc(CN[C@@H](CC(N)=O)C2CCOCC2)c([N+](=O)[O-])n1 ZINC001642673509 1171953992 /nfs/dbraw/zinc/95/39/92/1171953992.db2.gz XZHNWIRGRQBSRO-NSHDSACASA-N 0 3 311.342 0.089 20 5 DCBDHN CC(C)(O)[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001644832961 1172021601 /nfs/dbraw/zinc/02/16/01/1172021601.db2.gz PHGWTAUEETVTQI-CMPLNLGQSA-N 0 3 310.354 0.608 20 5 DCBDHN CCc1nc(C)c(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001732848562 1186010914 /nfs/dbraw/zinc/01/09/14/1186010914.db2.gz BFTLXKGWEMSIFL-XLMCQVRKSA-N 0 3 322.365 0.973 20 5 DCBDHN O=C(NC/C=C\CNCc1cc(C2CC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001732849898 1186012403 /nfs/dbraw/zinc/01/24/03/1186012403.db2.gz FZKPFQAZLGPKEZ-ZBHKTDLZSA-N 0 3 320.349 0.979 20 5 DCBDHN Cn1cnc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001125676686 747477926 /nfs/dbraw/zinc/47/79/26/747477926.db2.gz UQRMBKKVHRTPAX-UHFFFAOYSA-N 0 3 303.322 0.848 20 5 DCBDHN COCCN1Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1 ZINC001054264985 756420267 /nfs/dbraw/zinc/42/02/67/756420267.db2.gz YNMDLQSOICIMEC-HUUCEWRRSA-N 0 3 319.361 0.930 20 5 DCBDHN Cc1conc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001170317595 762608339 /nfs/dbraw/zinc/60/83/39/762608339.db2.gz GQXNFBVHWKHKFY-UHFFFAOYSA-N 0 3 322.325 0.534 20 5 DCBDHN CN(C)C(=O)c1nn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169018374 760559596 /nfs/dbraw/zinc/55/95/96/760559596.db2.gz AVVXYEHLNMRPIC-MNOVXSKESA-N 0 3 321.381 0.849 20 5 DCBDHN COC(=O)[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)CN1 ZINC001169132412 760590498 /nfs/dbraw/zinc/59/04/98/760590498.db2.gz LSFWKEXSWKFJNT-PWSUYJOCSA-N 0 3 306.322 0.513 20 5 DCBDHN C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1C1CCCC1 ZINC001123943571 768083947 /nfs/dbraw/zinc/08/39/47/768083947.db2.gz OSKNATYGVSFMOY-LLVKDONJSA-N 0 3 322.369 0.662 20 5 DCBDHN C[C@H](Nc1ccc([N+](=O)[O-])c2c1CNC2=O)[C@@H]1CNCCO1 ZINC001170569973 763866237 /nfs/dbraw/zinc/86/62/37/763866237.db2.gz BLVRYOHYEUNEJU-UFBFGSQYSA-N 0 3 306.322 0.627 20 5 DCBDHN CCCC(=O)NCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124305749 768211855 /nfs/dbraw/zinc/21/18/55/768211855.db2.gz ONHHSADDUDRXOL-UHFFFAOYSA-N 0 3 322.365 0.717 20 5 DCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC001120024979 766885296 /nfs/dbraw/zinc/88/52/96/766885296.db2.gz PUWRSNNJRLSWKC-LLVKDONJSA-N 0 3 322.369 0.071 20 5 DCBDHN COc1ccc(NC(=O)CCN2CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001176464391 770108578 /nfs/dbraw/zinc/10/85/78/770108578.db2.gz WVFSJLFUTRSIDF-SNVBAGLBSA-N 0 3 309.322 0.999 20 5 DCBDHN CC(=O)NCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154204270 770108792 /nfs/dbraw/zinc/10/87/92/770108792.db2.gz ODBYPQAEZSMKCJ-UHFFFAOYSA-N 0 3 308.338 0.327 20 5 DCBDHN Cn1nncc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001157353516 771593214 /nfs/dbraw/zinc/59/32/14/771593214.db2.gz CEMCWHRXRNBEKJ-UHFFFAOYSA-N 0 3 318.337 0.633 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CNCCO2)n1 ZINC001159503345 771921096 /nfs/dbraw/zinc/92/10/96/771921096.db2.gz WMKBYSMYJARKQL-GZMMTYOYSA-N 0 3 310.310 0.565 20 5 DCBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001163427163 772524247 /nfs/dbraw/zinc/52/42/47/772524247.db2.gz INWSNCILGPRORE-NSHDSACASA-N 0 3 322.365 0.821 20 5 DCBDHN Cc1nn[nH]c1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001163739988 772564671 /nfs/dbraw/zinc/56/46/71/772564671.db2.gz IUDVCILHICKHBE-UHFFFAOYSA-N 0 3 324.366 0.993 20 5 DCBDHN C[C@H]1[C@@H](N(C)C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001327915856 948663192 /nfs/dbraw/zinc/66/31/92/948663192.db2.gz DVIALBYIZKDXFW-QWRGUYRKSA-N 0 3 308.338 0.308 20 5 DCBDHN CN1CCNC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001339791477 953119833 /nfs/dbraw/zinc/11/98/33/953119833.db2.gz YAFGPWAXNNSJEZ-ZDUSSCGKSA-N 0 3 307.354 0.027 20 5 DCBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001463747237 1013161654 /nfs/dbraw/zinc/16/16/54/1013161654.db2.gz MOOYORVJTGGWEV-DTWKUNHWSA-N 0 3 317.371 0.041 20 5 DCBDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC001477127166 1017256442 /nfs/dbraw/zinc/25/64/42/1017256442.db2.gz GAFYOUIFLKMLKY-KCJUWKMLSA-N 0 3 321.337 0.908 20 5 DCBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000157352824 529799693 /nfs/dbraw/zinc/79/96/93/529799693.db2.gz ZKAZSZPBPVWQPI-GHMZBOCLSA-N 0 3 308.342 0.129 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCn2ccnc2)cc1 ZINC000566106341 291270128 /nfs/dbraw/zinc/27/01/28/291270128.db2.gz MVMKKUUIJXDNNJ-UHFFFAOYSA-N 0 3 324.362 0.855 20 5 DCBDHN N[C@@H]1C[C@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490238 291307951 /nfs/dbraw/zinc/30/79/51/291307951.db2.gz FHHMTUQITGGQHX-XEKFUKFUSA-N 0 3 316.361 0.852 20 5 DCBDHN N[C@H]1C[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CCN2C1=O ZINC000566630129 291316025 /nfs/dbraw/zinc/31/60/25/291316025.db2.gz OOJIAYFSHLMCLA-KOLCDFICSA-N 0 3 317.349 0.311 20 5 DCBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567180238 291341743 /nfs/dbraw/zinc/34/17/43/291341743.db2.gz CZOVDIYMHZQWMI-NQBHXWOUSA-N 0 3 304.350 0.900 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000479791993 241075480 /nfs/dbraw/zinc/07/54/80/241075480.db2.gz HHZPIUWKSIMRPW-ZKCHVHJHSA-N 0 3 301.324 0.371 20 5 DCBDHN CN(C)[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000569308885 291472279 /nfs/dbraw/zinc/47/22/79/291472279.db2.gz SIABVWLXSNCJEA-KBPBESRZSA-N 0 3 323.349 0.568 20 5 DCBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000288509243 220188315 /nfs/dbraw/zinc/18/83/15/220188315.db2.gz SPRSBUPQIFHYCA-NEPJUHHUSA-N 0 3 307.354 0.877 20 5 DCBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346154021 254016436 /nfs/dbraw/zinc/01/64/36/254016436.db2.gz ILBAIENOAIZIOQ-XQQFMLRXSA-N 0 3 321.381 0.980 20 5 DCBDHN C[C@H](CO)N1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000346641134 254077517 /nfs/dbraw/zinc/07/75/17/254077517.db2.gz LCHYRTICGYUUOT-CYBMUJFWSA-N 0 3 324.381 0.145 20 5 DCBDHN CN1CCN(CCC(C)(C)NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000352111608 254399654 /nfs/dbraw/zinc/39/96/54/254399654.db2.gz MJLCGHQWWHJQCN-UHFFFAOYSA-N 0 3 324.385 0.464 20 5 DCBDHN CN1CCN(CCC(C)(C)NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000352111608 254399655 /nfs/dbraw/zinc/39/96/55/254399655.db2.gz MJLCGHQWWHJQCN-UHFFFAOYSA-N 0 3 324.385 0.464 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108298499 395787963 /nfs/dbraw/zinc/78/79/63/395787963.db2.gz XPGYNBVZNYROIC-GFCCVEGCSA-N 0 3 307.354 0.700 20 5 DCBDHN CCN1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000132370508 395926592 /nfs/dbraw/zinc/92/65/92/395926592.db2.gz VQCMFNHWGLIVJB-LLVKDONJSA-N 0 3 308.338 0.357 20 5 DCBDHN COCCN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000151753475 395992631 /nfs/dbraw/zinc/99/26/31/395992631.db2.gz LSWWNPRIVNCPEO-UHFFFAOYSA-N 0 3 313.329 0.971 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCNCC1 ZINC000261675386 396055412 /nfs/dbraw/zinc/05/54/12/396055412.db2.gz LWBDARHKNFNMOT-SNVBAGLBSA-N 0 3 308.338 0.836 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000252405504 396019246 /nfs/dbraw/zinc/01/92/46/396019246.db2.gz DYYVFHVFGZXCAO-GDGBQDQQSA-N 0 3 313.335 0.100 20 5 DCBDHN CCN1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076921894 396209782 /nfs/dbraw/zinc/20/97/82/396209782.db2.gz FLIMCFGOQGRVGX-NSHDSACASA-N 0 3 323.401 0.653 20 5 DCBDHN CCN(CCO)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000183933330 396278335 /nfs/dbraw/zinc/27/83/35/396278335.db2.gz HBXPFMZFIBWFRU-UHFFFAOYSA-N 0 3 310.354 0.437 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264478490 396283938 /nfs/dbraw/zinc/28/39/38/396283938.db2.gz HLIMTWVDVUHJQP-GFCCVEGCSA-N 0 3 307.354 0.878 20 5 DCBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCN1C(=O)CNC1=O ZINC000282388048 396286455 /nfs/dbraw/zinc/28/64/55/396286455.db2.gz GNVFYSPUYVSKKA-UHFFFAOYSA-N 0 3 306.322 0.621 20 5 DCBDHN CC(C)(CC(N)=O)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186217908 396345176 /nfs/dbraw/zinc/34/51/76/396345176.db2.gz FMSVWTJBOABZRT-UHFFFAOYSA-N 0 3 320.349 0.728 20 5 DCBDHN O=C([C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000287579185 396409300 /nfs/dbraw/zinc/40/93/00/396409300.db2.gz XUPNZANHRSDSAK-GFCCVEGCSA-N 0 3 307.354 0.736 20 5 DCBDHN COc1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000514870609 396498413 /nfs/dbraw/zinc/49/84/13/396498413.db2.gz MFZVMXUKIYGKSB-STQMWFEESA-N 0 3 313.329 0.849 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270360980 396464887 /nfs/dbraw/zinc/46/48/87/396464887.db2.gz BQMVNSUNDLXNMX-HNNXBMFYSA-N 0 3 324.381 0.749 20 5 DCBDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 ZINC000293850645 396637768 /nfs/dbraw/zinc/63/77/68/396637768.db2.gz ITEUSVXGWOQETC-NWDGAFQWSA-N 0 3 308.338 0.858 20 5 DCBDHN NCc1cn([C@H]2CCCN(c3ccc(N)c([N+](=O)[O-])n3)C2)nn1 ZINC000596014403 396707981 /nfs/dbraw/zinc/70/79/81/396707981.db2.gz PBVQLISUQLDJSE-JTQLQIEISA-N 0 3 318.341 0.464 20 5 DCBDHN Cc1ccc(NC(=O)C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000314371500 396781628 /nfs/dbraw/zinc/78/16/28/396781628.db2.gz PCFASSRWXXPSDD-UHFFFAOYSA-N 0 3 306.322 0.664 20 5 DCBDHN Cn1c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000610913267 396781872 /nfs/dbraw/zinc/78/18/72/396781872.db2.gz MTXHUCMWRZBTSB-GFCCVEGCSA-N 0 3 322.365 0.916 20 5 DCBDHN CCc1ccccc1[C@H](N)CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000564722773 396860016 /nfs/dbraw/zinc/86/00/16/396860016.db2.gz PZRYUOBCNRINKM-GFCCVEGCSA-N 0 3 318.337 0.565 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(CO)cc2)c1 ZINC000320254962 396812628 /nfs/dbraw/zinc/81/26/28/396812628.db2.gz XEJNXXKYCUSOAX-AWEZNQCLSA-N 0 3 306.322 0.434 20 5 DCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377513307 397090531 /nfs/dbraw/zinc/09/05/31/397090531.db2.gz SQIKYGKILWRKIV-WCQYABFASA-N 0 3 323.353 0.161 20 5 DCBDHN CC(C)(C)N1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000597920393 397131145 /nfs/dbraw/zinc/13/11/45/397131145.db2.gz AZIZDAZPJRMCMQ-LLVKDONJSA-N 0 3 322.365 0.746 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000598571143 397249758 /nfs/dbraw/zinc/24/97/58/397249758.db2.gz GWGSNZJHKXYLKO-LBPRGKRZSA-N 0 3 309.370 0.946 20 5 DCBDHN COCCN(C)CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593448228 397369306 /nfs/dbraw/zinc/36/93/06/397369306.db2.gz KVDTULRGFYNOCS-UHFFFAOYSA-N 0 3 313.329 0.971 20 5 DCBDHN CN[C@@H](C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000577294379 397320773 /nfs/dbraw/zinc/32/07/73/397320773.db2.gz PQJBLORIRQUQRD-VIFPVBQESA-N 0 3 311.338 0.879 20 5 DCBDHN Cc1n[nH]c(C(=O)N2CCN(c3ncc[nH]3)CC2)c1[N+](=O)[O-] ZINC000579549817 397579390 /nfs/dbraw/zinc/57/93/90/397579390.db2.gz NPCLWBUEFPMEGP-UHFFFAOYSA-N 0 3 305.298 0.312 20 5 DCBDHN Cc1n[n-]c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000579549817 397579392 /nfs/dbraw/zinc/57/93/92/397579392.db2.gz NPCLWBUEFPMEGP-UHFFFAOYSA-N 0 3 305.298 0.312 20 5 DCBDHN CN1CCC[C@H](N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000610453336 397822649 /nfs/dbraw/zinc/82/26/49/397822649.db2.gz NRBHQMHEHSTKSX-AWEZNQCLSA-N 0 3 322.413 0.503 20 5 DCBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(CCO)CC1 ZINC000078312678 158072459 /nfs/dbraw/zinc/07/24/59/158072459.db2.gz APOSPWRESCZXFC-UHFFFAOYSA-N 0 3 319.321 0.221 20 5 DCBDHN O=[N+]([O-])c1ccc(NCCCCN2CCN(CCO)CC2)nc1 ZINC000114450777 158152855 /nfs/dbraw/zinc/15/28/55/158152855.db2.gz GMBUTZKASMMQOZ-UHFFFAOYSA-N 0 3 323.397 0.792 20 5 DCBDHN CCN(CC)[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000330535619 159188086 /nfs/dbraw/zinc/18/80/86/159188086.db2.gz RXFXUZCHCOKJHA-GFCCVEGCSA-N 0 3 322.365 0.699 20 5 DCBDHN C[C@@H]1CCNC(=O)[C@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249544768 287113391 /nfs/dbraw/zinc/11/33/91/287113391.db2.gz JZNSLEVIHQEJAG-QKCSRTOESA-N 0 3 323.349 0.449 20 5 DCBDHN CN(CCO)CCN(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001647835820 1173056883 /nfs/dbraw/zinc/05/68/83/1173056883.db2.gz FJQOYYDLINLHSQ-UHFFFAOYSA-N 0 3 314.317 0.312 20 5 DCBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@@H]1O ZINC000352816215 415333102 /nfs/dbraw/zinc/33/31/02/415333102.db2.gz NIGFHOYABAIRKR-OLZOCXBDSA-N 0 3 309.322 0.615 20 5 DCBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N(C)C1CC1 ZINC000057703651 415338612 /nfs/dbraw/zinc/33/86/12/415338612.db2.gz HXIUHABLESCWNB-JTQLQIEISA-N 0 3 308.338 0.355 20 5 DCBDHN CC(C(=O)NCCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000089304994 415523293 /nfs/dbraw/zinc/52/32/93/415523293.db2.gz QDEKGJUALGXQOR-SECBINFHSA-N 0 3 300.336 0.687 20 5 DCBDHN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[C@H]1N1CCN(C)CC1 ZINC000343477715 415609269 /nfs/dbraw/zinc/60/92/69/415609269.db2.gz SRLGJWOSOVTBOF-CHWSQXEVSA-N 0 3 322.413 0.791 20 5 DCBDHN Cc1cnn([C@@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000289869933 415727815 /nfs/dbraw/zinc/72/78/15/415727815.db2.gz LRASWZFDSZTCTD-TZMCWYRMSA-N 0 3 320.353 0.604 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000288978501 415698908 /nfs/dbraw/zinc/69/89/08/415698908.db2.gz GDDWDLMGMWUKAW-LLVKDONJSA-N 0 3 323.353 0.502 20 5 DCBDHN NC(=O)N[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337312278 415941765 /nfs/dbraw/zinc/94/17/65/415941765.db2.gz DZTFXQRZVIITRG-JTQLQIEISA-N 0 3 321.337 0.666 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000153148131 415977394 /nfs/dbraw/zinc/97/73/94/415977394.db2.gz GHOVTTKUWNYVTJ-OAHLLOKOSA-N 0 3 324.381 0.703 20 5 DCBDHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000297941398 415983674 /nfs/dbraw/zinc/98/36/74/415983674.db2.gz SBBQZLAPKMFEQV-SNVBAGLBSA-N 0 3 308.338 0.908 20 5 DCBDHN CNS(=O)(=O)c1ccc(NC[C@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000298282401 416000141 /nfs/dbraw/zinc/00/01/41/416000141.db2.gz GEVYCJLPSUSOPD-VIFPVBQESA-N 0 3 316.383 0.865 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000338540863 416107794 /nfs/dbraw/zinc/10/77/94/416107794.db2.gz RUVKVEDIUPKPAJ-HNNXBMFYSA-N 0 3 323.349 0.790 20 5 DCBDHN Cc1[nH]nc(C(=O)Nc2ccn(CCN(C)C)n2)c1[N+](=O)[O-] ZINC000338749091 416133385 /nfs/dbraw/zinc/13/33/85/416133385.db2.gz MYDYLZMNBYVBSQ-UHFFFAOYSA-N 0 3 307.314 0.637 20 5 DCBDHN CCN1CCN([C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000177026299 416139813 /nfs/dbraw/zinc/13/98/13/416139813.db2.gz BMUJUQBWSGXSDH-CQSZACIVSA-N 0 3 322.413 0.503 20 5 DCBDHN COc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358072453 416187569 /nfs/dbraw/zinc/18/75/69/416187569.db2.gz ZNJDGJKDZLNTCL-AWEZNQCLSA-N 0 3 309.322 0.400 20 5 DCBDHN CC(C)(CC(N)=O)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000186231077 416257310 /nfs/dbraw/zinc/25/73/10/416257310.db2.gz FVGJRQUEZLNTMQ-UHFFFAOYSA-N 0 3 320.349 0.728 20 5 DCBDHN CN(C)C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CCO1 ZINC000342246625 416300404 /nfs/dbraw/zinc/30/04/04/416300404.db2.gz SOJMSSGYQTUKGG-JTQLQIEISA-N 0 3 308.338 0.461 20 5 DCBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000331296705 416304818 /nfs/dbraw/zinc/30/48/18/416304818.db2.gz OAQGKSDTAUXSDJ-NSHDSACASA-N 0 3 311.386 0.605 20 5 DCBDHN CN(C)CCn1nccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000359493711 416347969 /nfs/dbraw/zinc/34/79/69/416347969.db2.gz NBVISMNPHDZQAS-UHFFFAOYSA-N 0 3 307.314 0.188 20 5 DCBDHN Cc1cc(OCC(=O)NC[C@@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000435819064 416537867 /nfs/dbraw/zinc/53/78/67/416537867.db2.gz PAPFPTXHGMHZPS-HNNXBMFYSA-N 0 3 323.349 0.465 20 5 DCBDHN CNc1nccc(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598572940 416605013 /nfs/dbraw/zinc/60/50/13/416605013.db2.gz NHPXNGNCTHXSHB-NSHDSACASA-N 0 3 307.354 1.102 20 5 DCBDHN CN1C[C@@H]2CCCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC000425658977 416718742 /nfs/dbraw/zinc/71/87/42/416718742.db2.gz HWBLUEUXVPPRFE-GXFFZTMASA-N 0 3 305.338 0.970 20 5 DCBDHN O=C(NCCNc1ccncc1)NCCn1cc([N+](=O)[O-])cn1 ZINC000426971032 416792663 /nfs/dbraw/zinc/79/26/63/416792663.db2.gz JEPISZBRDCJOQN-UHFFFAOYSA-N 0 3 319.325 0.020 20 5 DCBDHN Cc1n[nH]c(C(=O)NCCCNCc2cccnc2)c1[N+](=O)[O-] ZINC000428113893 416875926 /nfs/dbraw/zinc/87/59/26/416875926.db2.gz CVBZUMLZJBROQK-UHFFFAOYSA-N 0 3 318.337 0.931 20 5 DCBDHN CNc1nccc(C(=O)NC[C@@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000563376655 416878203 /nfs/dbraw/zinc/87/82/03/416878203.db2.gz KGGRSEIWAZINLI-SECBINFHSA-N 0 3 307.354 1.244 20 5 DCBDHN CNc1nccc(C(=O)NC[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000563376686 416880054 /nfs/dbraw/zinc/88/00/54/416880054.db2.gz KGGRSEIWAZINLI-VIFPVBQESA-N 0 3 307.354 1.244 20 5 DCBDHN N[C@H]1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000568902239 417193180 /nfs/dbraw/zinc/19/31/80/417193180.db2.gz ZSDAAKROGVQBPI-YPMHNXCESA-N 0 3 308.313 0.478 20 5 DCBDHN CO[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000451762114 417394414 /nfs/dbraw/zinc/39/44/14/417394414.db2.gz QMXUKVQBSAMSCW-CHWSQXEVSA-N 0 3 309.322 0.615 20 5 DCBDHN CO[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000451763930 417396138 /nfs/dbraw/zinc/39/61/38/417396138.db2.gz UBWMSOFRHXHPSW-ZIAGYGMSSA-N 0 3 323.349 0.923 20 5 DCBDHN CNc1nccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000579255321 417689485 /nfs/dbraw/zinc/68/94/85/417689485.db2.gz BRIFVTSMJPMIME-JQWIXIFHSA-N 0 3 321.381 1.444 20 5 DCBDHN Cc1c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000560565466 288511644 /nfs/dbraw/zinc/51/16/44/288511644.db2.gz ZHFVNOUPNXBZNQ-NSHDSACASA-N 0 3 322.365 0.699 20 5 DCBDHN Cn1cc(C(C)(C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000546704311 288027539 /nfs/dbraw/zinc/02/75/39/288027539.db2.gz AAXHXGWKTBYJDE-GFCCVEGCSA-N 0 3 308.342 0.411 20 5 DCBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C1 ZINC000052093291 280358543 /nfs/dbraw/zinc/35/85/43/280358543.db2.gz WZSXYOPQWXZLQE-MRVPVSSYSA-N 0 3 305.743 0.888 20 5 DCBDHN CC[NH+](CC)C[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000565700492 288871784 /nfs/dbraw/zinc/87/17/84/288871784.db2.gz XGIZDCLILQXYDQ-JTQLQIEISA-N 0 3 316.383 0.998 20 5 DCBDHN CN(C)CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCC1 ZINC000112915971 524058846 /nfs/dbraw/zinc/05/88/46/524058846.db2.gz KUJNCGDOOHHHAS-UHFFFAOYSA-N 0 3 310.358 0.519 20 5 DCBDHN CC(C)[C@H]1CN(C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993135 527850355 /nfs/dbraw/zinc/85/03/55/527850355.db2.gz STZMMYGPGPPWIV-UONOGXRCSA-N 0 3 311.386 0.424 20 5 DCBDHN C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[C@H]1N1CCN(C)CC1 ZINC000893046988 659705330 /nfs/dbraw/zinc/70/53/30/659705330.db2.gz IYXCRIVVVCUQEN-CHWSQXEVSA-N 0 3 322.413 0.791 20 5 DCBDHN C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[C@@H]1N1CCN(C)CC1 ZINC000893046990 659705965 /nfs/dbraw/zinc/70/59/65/659705965.db2.gz IYXCRIVVVCUQEN-OLZOCXBDSA-N 0 3 322.413 0.791 20 5 DCBDHN Cc1ncoc1CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000673703 665914082 /nfs/dbraw/zinc/91/40/82/665914082.db2.gz JMMWTUMIWNNCBY-CHWSQXEVSA-N 0 3 320.349 0.897 20 5 DCBDHN CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000899729901 663183617 /nfs/dbraw/zinc/18/36/17/663183617.db2.gz QDWRJTNCFFTOGH-UHFFFAOYSA-N 0 3 301.730 0.902 20 5 DCBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)CCO ZINC000912610150 664194636 /nfs/dbraw/zinc/19/46/36/664194636.db2.gz FBFDXWRHDLLZCA-UHFFFAOYSA-N 0 3 324.381 0.657 20 5 DCBDHN CCc1cnc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000996429231 666791209 /nfs/dbraw/zinc/79/12/09/666791209.db2.gz MUMCVUZTXYKNMR-CHWSQXEVSA-N 0 3 322.365 0.983 20 5 DCBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000861345410 666920214 /nfs/dbraw/zinc/92/02/14/666920214.db2.gz TZNXCEBKFKRRRJ-MFKMUULPSA-N 0 3 312.326 0.444 20 5 DCBDHN COCCN(C)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865123514 667307224 /nfs/dbraw/zinc/30/72/24/667307224.db2.gz LYZKSYMXFWANQQ-UHFFFAOYSA-N 0 3 313.329 0.971 20 5 DCBDHN CCN(CC)CC(=O)N1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000103461717 667748376 /nfs/dbraw/zinc/74/83/76/667748376.db2.gz DTKPZXVNJBNXMQ-UHFFFAOYSA-N 0 3 324.385 0.235 20 5 DCBDHN Cc1ccc(CN2C(=O)N[C@H](CN(C)C)C2=O)cc1[N+](=O)[O-] ZINC000925043202 668269375 /nfs/dbraw/zinc/26/93/75/668269375.db2.gz BAEOXKHIAXMOKR-LLVKDONJSA-N 0 3 306.322 0.885 20 5 DCBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000930874160 669098384 /nfs/dbraw/zinc/09/83/84/669098384.db2.gz FDYQAOSOKPPRMJ-CMPLNLGQSA-N 0 3 305.338 0.888 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H](O)CC3(CCOCC3)C2)n1 ZINC000880582632 669243410 /nfs/dbraw/zinc/24/34/10/669243410.db2.gz ALDGSLZINJZVAO-LBPRGKRZSA-N 0 3 310.354 0.655 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000934572510 669616670 /nfs/dbraw/zinc/61/66/70/669616670.db2.gz AXSHXDZDADUSHS-SKDRFNHKSA-N 0 3 307.354 0.699 20 5 DCBDHN Nc1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000808157407 670393532 /nfs/dbraw/zinc/39/35/32/670393532.db2.gz WKTJCWHRKVVIGI-RYUDHWBXSA-N 0 3 320.349 0.458 20 5 DCBDHN Cc1cccc2c1ncn(CC(=O)OCC(C)[N+](=O)[O-])c2=O ZINC000813103192 670610848 /nfs/dbraw/zinc/61/08/48/670610848.db2.gz YVEMENOTIJECGP-SNVBAGLBSA-N 0 3 305.290 0.913 20 5 DCBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1-n1cnnn1 ZINC000813102583 670610964 /nfs/dbraw/zinc/61/09/64/670610964.db2.gz SMPHXWRPLFJYGF-QMMMGPOBSA-N 0 3 307.266 0.493 20 5 DCBDHN CO[C@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000819066755 671092323 /nfs/dbraw/zinc/09/23/23/671092323.db2.gz DICIKLCMLLUREC-RKDXNWHRSA-N 0 3 312.248 0.319 20 5 DCBDHN COCCN(C)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825615321 671467750 /nfs/dbraw/zinc/46/77/50/671467750.db2.gz REZUOFGTODMFCF-CYBMUJFWSA-N 0 3 311.338 0.323 20 5 DCBDHN Cc1nnnn1-c1ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c1 ZINC000835457104 671797061 /nfs/dbraw/zinc/79/70/61/671797061.db2.gz WVZLMCKJKVCAHL-SSDOTTSWSA-N 0 3 309.257 0.932 20 5 DCBDHN CC(COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)[N+](=O)[O-] ZINC000842362836 672009155 /nfs/dbraw/zinc/00/91/55/672009155.db2.gz ADICQRCRHFPVQP-DTWKUNHWSA-N 0 3 306.274 0.880 20 5 DCBDHN Cc1ccc(OS(=O)(=O)C[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001574156846 1163650032 /nfs/dbraw/zinc/65/00/32/1163650032.db2.gz SLNZRCJXAIEULJ-SNVBAGLBSA-N 0 3 316.335 0.600 20 5 DCBDHN C[C@H](C(=O)NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1F ZINC001575069410 1163878209 /nfs/dbraw/zinc/87/82/09/1163878209.db2.gz LQSPISLLACCNOZ-ONGXEEELSA-N 0 3 311.313 0.942 20 5 DCBDHN CN1CCNC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001578536712 1165050382 /nfs/dbraw/zinc/05/03/82/1165050382.db2.gz FSMKYMPOQWVEAI-CQSZACIVSA-N 0 3 320.349 0.088 20 5 DCBDHN CN1CCNC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001578536710 1165050835 /nfs/dbraw/zinc/05/08/35/1165050835.db2.gz FSMKYMPOQWVEAI-AWEZNQCLSA-N 0 3 320.349 0.088 20 5 DCBDHN C[N@H+](CCO)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591108786 1167106498 /nfs/dbraw/zinc/10/64/98/1167106498.db2.gz YNWMDZZOGYYBAQ-UHFFFAOYSA-N 0 3 307.314 0.111 20 5 DCBDHN C[N@@H+](CCO)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591108786 1167106501 /nfs/dbraw/zinc/10/65/01/1167106501.db2.gz YNWMDZZOGYYBAQ-UHFFFAOYSA-N 0 3 307.314 0.111 20 5 DCBDHN C[NH2+]C1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001591215250 1167162615 /nfs/dbraw/zinc/16/26/15/1167162615.db2.gz HRCCUIVTOLNCRP-UHFFFAOYSA-N 0 3 303.326 0.963 20 5 DCBDHN C[NH2+]C1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001591215250 1167162617 /nfs/dbraw/zinc/16/26/17/1167162617.db2.gz HRCCUIVTOLNCRP-UHFFFAOYSA-N 0 3 303.326 0.963 20 5 DCBDHN COC[C@](C)([NH3+])CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591370046 1167242435 /nfs/dbraw/zinc/24/24/35/1167242435.db2.gz ISNYRQBXRUHUTJ-GFCCVEGCSA-N 0 3 307.314 0.551 20 5 DCBDHN COC[C@](C)([NH3+])CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591370046 1167242443 /nfs/dbraw/zinc/24/24/43/1167242443.db2.gz ISNYRQBXRUHUTJ-GFCCVEGCSA-N 0 3 307.314 0.551 20 5 DCBDHN C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603834356 1169407462 /nfs/dbraw/zinc/40/74/62/1169407462.db2.gz JTOWBUVERNLOQC-VHSXEESVSA-N 0 3 318.337 0.978 20 5 DCBDHN C[C@H]1[C@@H](CO)CC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603834356 1169407463 /nfs/dbraw/zinc/40/74/63/1169407463.db2.gz JTOWBUVERNLOQC-VHSXEESVSA-N 0 3 318.337 0.978 20 5 DCBDHN CN1CCN(C2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC001643818335 1171986910 /nfs/dbraw/zinc/98/69/10/1171986910.db2.gz GSEOPLRNKLIYGQ-UHFFFAOYSA-N 0 3 321.381 0.775 20 5 DCBDHN CN(CCO)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001644751217 1172020795 /nfs/dbraw/zinc/02/07/95/1172020795.db2.gz OXDQNQZOQWVKCN-UHFFFAOYSA-N 0 3 307.306 0.995 20 5 DCBDHN CNc1c(C(=O)N2CC(N[C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001645426484 1172040682 /nfs/dbraw/zinc/04/06/82/1172040682.db2.gz RTFGGMBIKYGEIB-JTQLQIEISA-N 0 3 320.349 0.839 20 5 DCBDHN CCCc1n[nH]c(C(=O)N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001647773442 1173054991 /nfs/dbraw/zinc/05/49/91/1173054991.db2.gz UIEAXJLCZVZSRL-VIFPVBQESA-N 0 3 323.353 0.473 20 5 DCBDHN CC(C)c1n[nH]c(C(=O)N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001647773122 1173055389 /nfs/dbraw/zinc/05/53/89/1173055389.db2.gz NZGHOZSEZCCGKD-VIFPVBQESA-N 0 3 323.353 0.644 20 5 DCBDHN CC[C@@H](C)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001654461527 1173805833 /nfs/dbraw/zinc/80/58/33/1173805833.db2.gz NXTXVBWWVVGGBE-TZMCWYRMSA-N 0 3 311.386 0.568 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCCn3nccc32)c1 ZINC001654611001 1173807719 /nfs/dbraw/zinc/80/77/19/1173807719.db2.gz RVEFOXSLCCHJJE-VXGBXAGGSA-N 0 3 306.326 0.473 20 5 DCBDHN CC(=O)NCC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001661385546 1174120541 /nfs/dbraw/zinc/12/05/41/1174120541.db2.gz WBLQIMXAWBDMBO-JOCQHMNTSA-N 0 3 320.349 0.468 20 5 DCBDHN CCn1nnc(C)c1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001699651384 1178239503 /nfs/dbraw/zinc/23/95/03/1178239503.db2.gz OTKKLYCPQLAATN-GHMZBOCLSA-N 0 3 322.369 0.010 20 5 DCBDHN O=C(CC1OCCCO1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126224695 748325707 /nfs/dbraw/zinc/32/57/07/748325707.db2.gz MJWYLVCKYKTEGK-UHFFFAOYSA-N 0 3 323.349 0.954 20 5 DCBDHN COc1ccc(C[C@@H](C)NS(=O)(=O)CCN)c([N+](=O)[O-])c1 ZINC001170296968 762594867 /nfs/dbraw/zinc/59/48/67/762594867.db2.gz IVSDPPWCYBIFNN-SECBINFHSA-N 0 3 317.367 0.413 20 5 DCBDHN COc1ccc(C[C@H](C)N2C[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334051 762612286 /nfs/dbraw/zinc/61/22/86/762612286.db2.gz AGYGMRIWDFERSY-NVBFEUDRSA-N 0 3 310.350 0.819 20 5 DCBDHN O=C(Cn1cccn1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123514501 767991189 /nfs/dbraw/zinc/99/11/89/767991189.db2.gz BUZJXPLZRBCEPZ-UHFFFAOYSA-N 0 3 303.322 0.697 20 5 DCBDHN C[C@@H](Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170563883 763840942 /nfs/dbraw/zinc/84/09/42/763840942.db2.gz NTHAZCCFPDHDFW-GMSGAONNSA-N 0 3 302.718 0.670 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ncccn1 ZINC001135602249 766002134 /nfs/dbraw/zinc/00/21/34/766002134.db2.gz GYNIUICTCKJSJI-UHFFFAOYSA-N 0 3 301.306 0.904 20 5 DCBDHN CC(C)N(C)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093674003 768688003 /nfs/dbraw/zinc/68/80/03/768688003.db2.gz IKJMCYATULONSB-UHFFFAOYSA-N 0 3 313.333 0.997 20 5 DCBDHN CCOCCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001155644571 770577114 /nfs/dbraw/zinc/57/71/14/770577114.db2.gz YGBONGQHFBXCGB-UHFFFAOYSA-N 0 3 313.358 0.351 20 5 DCBDHN CNC(=O)CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001157001882 771516364 /nfs/dbraw/zinc/51/63/64/771516364.db2.gz ZGXFOTVAOWQOKV-UHFFFAOYSA-N 0 3 308.338 0.327 20 5 DCBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1CNCCO1 ZINC001159497576 771919571 /nfs/dbraw/zinc/91/95/71/771919571.db2.gz IYKXGENFYZQMTQ-BXKDBHETSA-N 0 3 324.337 0.955 20 5 DCBDHN CNc1cc([N+](=O)[O-])cnc1NCc1nnn2c1CNCCC2 ZINC001162973614 772438320 /nfs/dbraw/zinc/43/83/20/772438320.db2.gz MBFHMLDGQQZGEC-UHFFFAOYSA-N 0 3 318.341 0.728 20 5 DCBDHN CCN1CCCN(c2nc(OC)c([N+](=O)[O-])c(OC)n2)CC1 ZINC001163773481 772569502 /nfs/dbraw/zinc/56/95/02/772569502.db2.gz CYPQEJTUKZUIDK-UHFFFAOYSA-N 0 3 311.342 0.934 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CCOCC(F)F)CC1 ZINC001195761647 773470433 /nfs/dbraw/zinc/47/04/33/773470433.db2.gz OIIVCIAEKRFKER-GHMZBOCLSA-N 0 3 321.324 0.468 20 5 DCBDHN CCn1cc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)nn1 ZINC001273084667 945243457 /nfs/dbraw/zinc/24/34/57/945243457.db2.gz XEDXKFDFYMSRHW-VXGBXAGGSA-N 0 3 322.369 0.092 20 5 DCBDHN C[C@H](N)C(=O)NCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249070573 945619890 /nfs/dbraw/zinc/61/98/90/945619890.db2.gz RQWFCOZQSZMORX-YFKPBYRVSA-N 0 3 310.245 0.142 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC001322625632 946751195 /nfs/dbraw/zinc/75/11/95/946751195.db2.gz HYICWISVENWIJG-UHFFFAOYSA-N 0 3 324.385 0.084 20 5 DCBDHN O=C1NCCC12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC001262020519 947532785 /nfs/dbraw/zinc/53/27/85/947532785.db2.gz CUKOIOQWBKJATO-UHFFFAOYSA-N 0 3 320.349 0.359 20 5 DCBDHN O=C(CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)NC1CC1 ZINC001335673808 952580403 /nfs/dbraw/zinc/58/04/03/952580403.db2.gz NNESTHIVQRDWKK-GFCCVEGCSA-N 0 3 309.322 0.203 20 5 DCBDHN CNC(=O)C1(NCCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001308083131 960168183 /nfs/dbraw/zinc/16/81/83/960168183.db2.gz OKMCUIHFASVLRW-UHFFFAOYSA-N 0 3 323.349 0.858 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)C3(O)CCC3)C2)nc1 ZINC001459701279 1012819813 /nfs/dbraw/zinc/81/98/13/1012819813.db2.gz SRMTZGMPASOMDQ-AAEUAGOBSA-N 0 3 322.365 0.752 20 5 DCBDHN C[C@@H](CN(C)C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000286560395 219055565 /nfs/dbraw/zinc/05/55/65/219055565.db2.gz WWFONFYBHUPKEZ-QMMMGPOBSA-N 0 3 302.356 0.604 20 5 DCBDHN COC(=O)[C@]1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552372 185302950 /nfs/dbraw/zinc/30/29/50/185302950.db2.gz VQOIQCWUYLVJBI-CQSZACIVSA-N 0 3 309.322 0.642 20 5 DCBDHN Nc1nccc(C(=O)NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000519619345 412520834 /nfs/dbraw/zinc/52/08/34/412520834.db2.gz WACSYMODGZKEHS-SNVBAGLBSA-N 0 3 323.353 0.149 20 5 DCBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159641655 291235489 /nfs/dbraw/zinc/23/54/89/291235489.db2.gz SDCJMQOXGRLRGS-UHFFFAOYSA-N 0 3 318.337 0.917 20 5 DCBDHN NC(C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC000566248960 291288307 /nfs/dbraw/zinc/28/83/07/291288307.db2.gz JHJUAXZAMLASCZ-SECBINFHSA-N 0 3 304.228 0.764 20 5 DCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000282916273 217321881 /nfs/dbraw/zinc/32/18/81/217321881.db2.gz GAGHZZZJUSUSPZ-SSDOTTSWSA-N 0 3 317.298 0.641 20 5 DCBDHN CN(C)CCOCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000345959726 253992315 /nfs/dbraw/zinc/99/23/15/253992315.db2.gz NMRFMHMRLNSRCI-UHFFFAOYSA-N 0 3 311.338 0.668 20 5 DCBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346154017 254016086 /nfs/dbraw/zinc/01/60/86/254016086.db2.gz ILBAIENOAIZIOQ-RWMBFGLXSA-N 0 3 321.381 0.980 20 5 DCBDHN C[C@H](CN(C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000346256314 254028407 /nfs/dbraw/zinc/02/84/07/254028407.db2.gz IMHSSKMEZWUCRX-SNVBAGLBSA-N 0 3 318.337 0.855 20 5 DCBDHN C[C@@H](CO)N1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000346641136 254077254 /nfs/dbraw/zinc/07/72/54/254077254.db2.gz LCHYRTICGYUUOT-ZDUSSCGKSA-N 0 3 324.381 0.145 20 5 DCBDHN COc1cc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000347552182 254166961 /nfs/dbraw/zinc/16/69/61/254166961.db2.gz GOKMCTRMSOOROJ-GXFFZTMASA-N 0 3 321.337 0.907 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CC([NH3+])C1 ZINC000036265958 395722857 /nfs/dbraw/zinc/72/28/57/395722857.db2.gz QIIBTFNKAXCQPR-UHFFFAOYSA-N 0 3 301.324 0.371 20 5 DCBDHN CN1CCC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000194724838 395805688 /nfs/dbraw/zinc/80/56/88/395805688.db2.gz LEYXXZICRYHXMC-CYBMUJFWSA-N 0 3 320.349 0.535 20 5 DCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)N(C)C ZINC000047639026 395798591 /nfs/dbraw/zinc/79/85/91/395798591.db2.gz LESJGLYLFCRBMX-WDEREUQCSA-N 0 3 322.365 0.779 20 5 DCBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000141568948 395958492 /nfs/dbraw/zinc/95/84/92/395958492.db2.gz GSXLPMLRBGTOAM-UHFFFAOYSA-N 0 3 321.381 0.980 20 5 DCBDHN C[C@H]1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000151323106 395983802 /nfs/dbraw/zinc/98/38/02/395983802.db2.gz KHPYNHOYUWJOQD-WDEREUQCSA-N 0 3 322.369 0.716 20 5 DCBDHN C[C@H](O)CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000249122841 396002761 /nfs/dbraw/zinc/00/27/61/396002761.db2.gz ZPHNVGWSRXTIKF-STQMWFEESA-N 0 3 324.381 0.143 20 5 DCBDHN CCN(C)CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073094186 396141448 /nfs/dbraw/zinc/14/14/48/396141448.db2.gz NXEVURUCGYSAAM-UHFFFAOYSA-N 0 3 323.349 0.976 20 5 DCBDHN CCN1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076921896 396209924 /nfs/dbraw/zinc/20/99/24/396209924.db2.gz FLIMCFGOQGRVGX-LLVKDONJSA-N 0 3 323.401 0.653 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000073997155 396154968 /nfs/dbraw/zinc/15/49/68/396154968.db2.gz KXHMDICMHITDSN-NEPJUHHUSA-N 0 3 307.354 0.795 20 5 DCBDHN CN(C[C@H]1CCCN(C)C1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000265287780 396305680 /nfs/dbraw/zinc/30/56/80/396305680.db2.gz JYWMVEFTZNYYPL-LBPRGKRZSA-N 0 3 309.370 0.982 20 5 DCBDHN CC(C)C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N(C)C ZINC000269590532 396427311 /nfs/dbraw/zinc/42/73/11/396427311.db2.gz CHFFGKILVGUTCL-LBPRGKRZSA-N 0 3 324.381 0.849 20 5 DCBDHN CCCCN(C)C[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000290862461 396474607 /nfs/dbraw/zinc/47/46/07/396474607.db2.gz IPYYIVRHXQVDBL-LBPRGKRZSA-N 0 3 324.381 0.993 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000595471129 396613533 /nfs/dbraw/zinc/61/35/33/396613533.db2.gz XKOUHUOGYMMJHP-AWEZNQCLSA-N 0 3 323.397 0.978 20 5 DCBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860136 396695493 /nfs/dbraw/zinc/69/54/93/396695493.db2.gz DXSONEYXJHTPMU-KGLIPLIRSA-N 0 3 319.361 0.805 20 5 DCBDHN NC(=O)c1cc(N2CCCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000596112801 396718243 /nfs/dbraw/zinc/71/82/43/396718243.db2.gz DPGSJZGMWIQLDD-UHFFFAOYSA-N 0 3 308.338 0.198 20 5 DCBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)S1 ZINC000304285229 396729145 /nfs/dbraw/zinc/72/91/45/396729145.db2.gz FNLYYKBKRCXULF-FOGDFJRCSA-N 0 3 300.384 0.978 20 5 DCBDHN Cn1ccc(CCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000591760070 396998747 /nfs/dbraw/zinc/99/87/47/396998747.db2.gz CDNHWUUPVCTDAB-CYBMUJFWSA-N 0 3 320.349 0.900 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000597619329 397034439 /nfs/dbraw/zinc/03/44/39/397034439.db2.gz FVUNAJWILAMZJU-NSHDSACASA-N 0 3 323.353 0.645 20 5 DCBDHN CN1CCC(O)(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601264189 397035648 /nfs/dbraw/zinc/03/56/48/397035648.db2.gz WFTIGNQKWPKFPW-UHFFFAOYSA-N 0 3 311.313 0.920 20 5 DCBDHN COCCNCCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000572362607 397050572 /nfs/dbraw/zinc/05/05/72/397050572.db2.gz UFXJPJYULGDFEZ-UHFFFAOYSA-N 0 3 311.338 0.498 20 5 DCBDHN C[C@H](C(=O)NC[C@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572461761 397060647 /nfs/dbraw/zinc/06/06/47/397060647.db2.gz ODOLPABVMALZSY-XHDPSFHLSA-N 0 3 307.350 0.881 20 5 DCBDHN CN1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000592477461 397186986 /nfs/dbraw/zinc/18/69/86/397186986.db2.gz XCANXNLDZXRIHA-LBPRGKRZSA-N 0 3 324.406 0.788 20 5 DCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598187037 397187510 /nfs/dbraw/zinc/18/75/10/397187510.db2.gz ORAPBNSISSKMEF-UHFFFAOYSA-N 0 3 322.365 0.687 20 5 DCBDHN COC(=O)[C@H]1CNCCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000592491272 397191846 /nfs/dbraw/zinc/19/18/46/397191846.db2.gz IYPFFTKSLPAWJH-CYBMUJFWSA-N 0 3 323.349 0.940 20 5 DCBDHN CCN1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000573676556 397193663 /nfs/dbraw/zinc/19/36/63/397193663.db2.gz GJUJOLLCFOHOER-NEPJUHHUSA-N 0 3 323.349 0.545 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000601974534 397278672 /nfs/dbraw/zinc/27/86/72/397278672.db2.gz SKZHFRHRLLNCGU-XQQFMLRXSA-N 0 3 308.334 0.913 20 5 DCBDHN C[C@@H](CO)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000593085815 397322088 /nfs/dbraw/zinc/32/20/88/397322088.db2.gz XQCBZHMJUFCBNF-FZMZJTMJSA-N 0 3 312.370 0.493 20 5 DCBDHN CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602904677 397519477 /nfs/dbraw/zinc/51/94/77/397519477.db2.gz JPMXOONQHOPLCL-AWEZNQCLSA-N 0 3 309.366 0.972 20 5 DCBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000602960701 397535096 /nfs/dbraw/zinc/53/50/96/397535096.db2.gz NSOPJYIWXSZZGE-PWSUYJOCSA-N 0 3 305.338 0.888 20 5 DCBDHN COCCNCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000579241411 397542830 /nfs/dbraw/zinc/54/28/30/397542830.db2.gz RNTJKQGSRONXGQ-UHFFFAOYSA-N 0 3 311.294 0.289 20 5 DCBDHN CC(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)S(C)(=O)=O ZINC000088231562 158093276 /nfs/dbraw/zinc/09/32/76/158093276.db2.gz OXHKODUCCAMXCP-VIFPVBQESA-N 0 3 312.347 0.913 20 5 DCBDHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000133205218 158317346 /nfs/dbraw/zinc/31/73/46/158317346.db2.gz HYNFCYCNHRKABS-VIFPVBQESA-N 0 3 317.367 0.737 20 5 DCBDHN C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C1CC1 ZINC000151307058 287033131 /nfs/dbraw/zinc/03/31/31/287033131.db2.gz TUSHALAEFWIXPS-SNVBAGLBSA-N 0 3 310.358 0.573 20 5 DCBDHN C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[C@@H]1N1CCN(C)CC1 ZINC000343477753 415609468 /nfs/dbraw/zinc/60/94/68/415609468.db2.gz SRLGJWOSOVTBOF-STQMWFEESA-N 0 3 322.413 0.791 20 5 DCBDHN Cc1cnn([C@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000289867854 415729048 /nfs/dbraw/zinc/72/90/48/415729048.db2.gz LRASWZFDSZTCTD-GXTWGEPZSA-N 0 3 320.353 0.604 20 5 DCBDHN CC1CCN(C[C@@H](O)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000354057608 415738122 /nfs/dbraw/zinc/73/81/22/415738122.db2.gz XEKNISOWHOVJPM-JTQLQIEISA-N 0 3 311.342 0.141 20 5 DCBDHN CCC[C@]1(CO)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344127284 415844456 /nfs/dbraw/zinc/84/44/56/415844456.db2.gz JMKGCHUECBDCEW-KBPBESRZSA-N 0 3 312.370 0.637 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000153119793 415974404 /nfs/dbraw/zinc/97/44/04/415974404.db2.gz PPWNKJVHXQFPOL-CQSZACIVSA-N 0 3 310.354 0.436 20 5 DCBDHN COc1c(C(=O)NC[C@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000356786538 415987517 /nfs/dbraw/zinc/98/75/17/415987517.db2.gz XMLVPTSKMCSMQJ-CQSZACIVSA-N 0 3 309.322 0.400 20 5 DCBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298958301 416041677 /nfs/dbraw/zinc/04/16/77/416041677.db2.gz BJIGGRPITIZJPQ-LBPRGKRZSA-N 0 3 323.397 0.926 20 5 DCBDHN NS(=O)(=O)c1cc(NCCN2CCCC2)cc([N+](=O)[O-])c1 ZINC000298772584 416029434 /nfs/dbraw/zinc/02/94/34/416029434.db2.gz GIUYMZILZFXERD-UHFFFAOYSA-N 0 3 314.367 0.750 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000174858498 416088337 /nfs/dbraw/zinc/08/83/37/416088337.db2.gz UKLBZMCVFKKZDB-CQSZACIVSA-N 0 3 323.397 0.836 20 5 DCBDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000357583613 416100594 /nfs/dbraw/zinc/10/05/94/416100594.db2.gz PXCATEKGCOWITE-QMMMGPOBSA-N 0 3 312.301 0.739 20 5 DCBDHN C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H](C)C1 ZINC000357892260 416148856 /nfs/dbraw/zinc/14/88/56/416148856.db2.gz RPTZRABQFMJWRA-WDEREUQCSA-N 0 3 310.358 0.423 20 5 DCBDHN CN(CC(=O)NC[C@]1(O)CCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000358051267 416177983 /nfs/dbraw/zinc/17/79/83/416177983.db2.gz BKEKQGXSUDUCBJ-OAHLLOKOSA-N 0 3 322.365 0.214 20 5 DCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000180512158 416198138 /nfs/dbraw/zinc/19/81/38/416198138.db2.gz VPKVKIFPECISJV-UHFFFAOYSA-N 0 3 305.338 0.929 20 5 DCBDHN COCCN(C)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347406039 416216301 /nfs/dbraw/zinc/21/63/01/416216301.db2.gz JXVYFDJRDIIQGM-UHFFFAOYSA-N 0 3 305.338 1.528 20 5 DCBDHN CN1CC[C@](O)(CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000358306730 416221829 /nfs/dbraw/zinc/22/18/29/416221829.db2.gz HXACPCOPRIXQTD-AWEZNQCLSA-N 0 3 303.322 1.017 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(CCCO)CC2)c1 ZINC000360099032 416370197 /nfs/dbraw/zinc/37/01/97/416370197.db2.gz QQPOUVZYEJBLMT-AWEZNQCLSA-N 0 3 312.370 0.637 20 5 DCBDHN Cc1c(CNC(=O)C(=O)N(C)[C@@H](C)CN)cccc1[N+](=O)[O-] ZINC000419756600 416409085 /nfs/dbraw/zinc/40/90/85/416409085.db2.gz GZMJIUXVNQJQHN-VIFPVBQESA-N 0 3 308.338 0.325 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCc2cnccn2)c1 ZINC000517359422 416799539 /nfs/dbraw/zinc/79/95/39/416799539.db2.gz COBSZMIRJSMGSE-CQSZACIVSA-N 0 3 318.333 0.957 20 5 DCBDHN COCCNCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414647748 417292895 /nfs/dbraw/zinc/29/28/95/417292895.db2.gz ACVFRXSNJAFEFL-UHFFFAOYSA-N 0 3 312.326 0.961 20 5 DCBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H](C)CN)cc1[N+](=O)[O-] ZINC000419239516 262322608 /nfs/dbraw/zinc/32/26/08/262322608.db2.gz ALQWYCBMBPQSPE-VHSXEESVSA-N 0 3 308.338 0.544 20 5 DCBDHN C[C@@H](CO)N1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420612860 262378379 /nfs/dbraw/zinc/37/83/79/262378379.db2.gz PYXFKINMPVMXIK-NSHDSACASA-N 0 3 322.365 0.587 20 5 DCBDHN C[C@H]1CN(C2CCOCC2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000488699366 272048741 /nfs/dbraw/zinc/04/87/41/272048741.db2.gz CNWDFSDEOYZQOU-ZDUSSCGKSA-N 0 3 323.397 0.976 20 5 DCBDHN CN1CC[C@@]2(CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000488718722 272048813 /nfs/dbraw/zinc/04/88/13/272048813.db2.gz MTYZJCVKTWMZKD-CQSZACIVSA-N 0 3 305.338 0.621 20 5 DCBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548943787 288188514 /nfs/dbraw/zinc/18/85/14/288188514.db2.gz YAKYBWOZQZRSNZ-UHFFFAOYSA-N 0 3 323.353 0.693 20 5 DCBDHN C[C@@H]1CN(CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CCCO1 ZINC000549357285 288196816 /nfs/dbraw/zinc/19/68/16/288196816.db2.gz ZNTHMARYOMSYSX-SNVBAGLBSA-N 0 3 311.342 0.549 20 5 DCBDHN [NH3+]CC1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000563119479 288634697 /nfs/dbraw/zinc/63/46/97/288634697.db2.gz AQPFAPFKHZXNAZ-UHFFFAOYSA-N 0 3 300.340 0.540 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000563141638 288638437 /nfs/dbraw/zinc/63/84/37/288638437.db2.gz LSPAHRISZDBLQM-VHDGCEQUSA-N 0 3 318.333 0.400 20 5 DCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000582137853 333776278 /nfs/dbraw/zinc/77/62/78/333776278.db2.gz CQHCCLXMTNIJRP-HNNXBMFYSA-N 0 3 305.334 0.781 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577410612 341908770 /nfs/dbraw/zinc/90/87/70/341908770.db2.gz AEDHPJNOCYEGLF-VXGBXAGGSA-N 0 3 319.321 0.371 20 5 DCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000582137854 518200007 /nfs/dbraw/zinc/20/00/07/518200007.db2.gz CQHCCLXMTNIJRP-OAHLLOKOSA-N 0 3 305.334 0.781 20 5 DCBDHN CN(C)[C@H]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000162076865 522094300 /nfs/dbraw/zinc/09/43/00/522094300.db2.gz TVPMDTQBFPCZAE-NSHDSACASA-N 0 3 310.358 0.527 20 5 DCBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161552748 523045011 /nfs/dbraw/zinc/04/50/11/523045011.db2.gz ISRRSJPDJQWRLH-GFCCVEGCSA-N 0 3 324.385 0.775 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000157392838 525571899 /nfs/dbraw/zinc/57/18/99/525571899.db2.gz JXOOIRJPEJSDMN-NSHDSACASA-N 0 3 315.351 0.170 20 5 DCBDHN CN(C[C@@H]1CC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736848858 598501708 /nfs/dbraw/zinc/50/17/08/598501708.db2.gz OICUEEGBIFMBJZ-SECBINFHSA-N 0 3 318.341 0.558 20 5 DCBDHN CN(C[C@@H]1CC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736848858 598501710 /nfs/dbraw/zinc/50/17/10/598501710.db2.gz OICUEEGBIFMBJZ-SECBINFHSA-N 0 3 318.341 0.558 20 5 DCBDHN CN(C[C@@H]1CC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736848858 598501712 /nfs/dbraw/zinc/50/17/12/598501712.db2.gz OICUEEGBIFMBJZ-SECBINFHSA-N 0 3 318.341 0.558 20 5 DCBDHN CN(C[C@@H]1CC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736848858 598501714 /nfs/dbraw/zinc/50/17/14/598501714.db2.gz OICUEEGBIFMBJZ-SECBINFHSA-N 0 3 318.341 0.558 20 5 DCBDHN C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736848973 598501940 /nfs/dbraw/zinc/50/19/40/598501940.db2.gz PVVFLEHONQNMCB-QMMMGPOBSA-N 0 3 304.314 0.534 20 5 DCBDHN C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736848973 598501941 /nfs/dbraw/zinc/50/19/41/598501941.db2.gz PVVFLEHONQNMCB-QMMMGPOBSA-N 0 3 304.314 0.534 20 5 DCBDHN C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736848973 598501942 /nfs/dbraw/zinc/50/19/42/598501942.db2.gz PVVFLEHONQNMCB-QMMMGPOBSA-N 0 3 304.314 0.534 20 5 DCBDHN C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736848973 598501943 /nfs/dbraw/zinc/50/19/43/598501943.db2.gz PVVFLEHONQNMCB-QMMMGPOBSA-N 0 3 304.314 0.534 20 5 DCBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000893754072 661404719 /nfs/dbraw/zinc/40/47/19/661404719.db2.gz VVKXTFQLLBBMNU-CHWSQXEVSA-N 0 3 322.369 0.669 20 5 DCBDHN CN1C[C@H](O)C[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000924993831 661846399 /nfs/dbraw/zinc/84/63/99/661846399.db2.gz WNGNVZATNAWTNU-ALCJFRFOSA-N 0 3 305.334 0.789 20 5 DCBDHN CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC12CCCCC2 ZINC000908576372 663763077 /nfs/dbraw/zinc/76/30/77/663763077.db2.gz AWJTZGDZRAMZII-UHFFFAOYSA-N 0 3 322.369 0.663 20 5 DCBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000861344912 666919938 /nfs/dbraw/zinc/91/99/38/666919938.db2.gz VVOOCRLFQMILIE-AAEUAGOBSA-N 0 3 312.326 0.444 20 5 DCBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000874837023 668225628 /nfs/dbraw/zinc/22/56/28/668225628.db2.gz GADRMWZXBDZXFM-CHWSQXEVSA-N 0 3 320.349 0.452 20 5 DCBDHN COC(=O)[C@H]1[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794971385 669869495 /nfs/dbraw/zinc/86/94/95/669869495.db2.gz IKAAEFSAVMDIJN-RQJABVFESA-N 0 3 306.318 0.979 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000808160478 670393543 /nfs/dbraw/zinc/39/35/43/670393543.db2.gz VONZQLCEHSGYAY-NEPJUHHUSA-N 0 3 320.349 0.458 20 5 DCBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)CN1CCCC1 ZINC000808220118 670399274 /nfs/dbraw/zinc/39/92/74/670399274.db2.gz XWMCIICRKXXEDW-CYBMUJFWSA-N 0 3 307.350 0.710 20 5 DCBDHN CC(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)[N+](=O)[O-] ZINC000813104988 670611931 /nfs/dbraw/zinc/61/19/31/670611931.db2.gz ITMZFHJRCYDJCK-VIFPVBQESA-N 0 3 313.310 0.450 20 5 DCBDHN CC(COC(=O)[C@@H]1COCCN1CC(F)(F)F)[N+](=O)[O-] ZINC000813114449 670613222 /nfs/dbraw/zinc/61/32/22/670613222.db2.gz BNMDJGSWZNZAPV-SFYZADRCSA-N 0 3 300.233 0.458 20 5 DCBDHN CO[C@@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000819066749 671091669 /nfs/dbraw/zinc/09/16/69/671091669.db2.gz DICIKLCMLLUREC-BDAKNGLRSA-N 0 3 312.248 0.319 20 5 DCBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CNCCO3)CC2)cc1 ZINC000852743473 671154233 /nfs/dbraw/zinc/15/42/33/671154233.db2.gz YTSKVZOQDTWWBZ-OAHLLOKOSA-N 0 3 306.366 0.705 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000828958387 671564312 /nfs/dbraw/zinc/56/43/12/671564312.db2.gz DQIGOPSBISATBL-RYUDHWBXSA-N 0 3 307.354 0.795 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H](O)C(F)(F)F ZINC000843061622 672057558 /nfs/dbraw/zinc/05/75/58/672057558.db2.gz AJENWNBFQUEOHN-KCJUWKMLSA-N 0 3 324.255 0.847 20 5 DCBDHN Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H]3CSCCN3)n2)n1C ZINC000843221866 672071584 /nfs/dbraw/zinc/07/15/84/672071584.db2.gz MVKOFICREMYQQZ-MRVPVSSYSA-N 0 3 324.366 0.934 20 5 DCBDHN Cc1nnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001020139341 693709502 /nfs/dbraw/zinc/70/95/02/693709502.db2.gz YJTOLEGHEOCGGN-ZYUZMQFOSA-N 0 3 311.367 0.249 20 5 DCBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CNCCO1 ZINC001576251515 1164279767 /nfs/dbraw/zinc/27/97/67/1164279767.db2.gz MFFWIKNTXZPMNE-NOZJJQNGSA-N 0 3 305.338 0.938 20 5 DCBDHN CCN1CC[C@@H]1CNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001577766971 1164786182 /nfs/dbraw/zinc/78/61/82/1164786182.db2.gz FAUJYTAHMXKVSJ-HIFRSBDPSA-N 0 3 306.366 0.979 20 5 DCBDHN CCN1CC[C@H]1CNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001577766970 1164787305 /nfs/dbraw/zinc/78/73/05/1164787305.db2.gz FAUJYTAHMXKVSJ-DZGCQCFKSA-N 0 3 306.366 0.979 20 5 DCBDHN C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])[NH+](C)C ZINC001589833061 1166694487 /nfs/dbraw/zinc/69/44/87/1166694487.db2.gz IAKIAJXXZUKNIN-MRVPVSSYSA-N 0 3 306.330 0.922 20 5 DCBDHN C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])[NH+](C)C ZINC001589833061 1166694492 /nfs/dbraw/zinc/69/44/92/1166694492.db2.gz IAKIAJXXZUKNIN-MRVPVSSYSA-N 0 3 306.330 0.922 20 5 DCBDHN CN(CCO)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001596048201 1167986790 /nfs/dbraw/zinc/98/67/90/1167986790.db2.gz UPMZWVPHZCNVHU-UHFFFAOYSA-N 0 3 306.322 0.730 20 5 DCBDHN C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603834347 1169408950 /nfs/dbraw/zinc/40/89/50/1169408950.db2.gz JTOWBUVERNLOQC-NXEZZACHSA-N 0 3 318.337 0.978 20 5 DCBDHN C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603834347 1169408953 /nfs/dbraw/zinc/40/89/53/1169408953.db2.gz JTOWBUVERNLOQC-NXEZZACHSA-N 0 3 318.337 0.978 20 5 DCBDHN C[NH+](C)CC1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001604679912 1169652753 /nfs/dbraw/zinc/65/27/53/1169652753.db2.gz DBKKQGMGJYTIQQ-UHFFFAOYSA-N 0 3 303.326 0.773 20 5 DCBDHN C[N@@H+]1CC[C@@](O)(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604856504 1169713745 /nfs/dbraw/zinc/71/37/45/1169713745.db2.gz ZEXXWQGGRXWOIE-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@@](O)(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604856504 1169713752 /nfs/dbraw/zinc/71/37/52/1169713752.db2.gz ZEXXWQGGRXWOIE-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN O=[N+]([O-])c1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1-c1nnn[n-]1 ZINC001607078888 1170382091 /nfs/dbraw/zinc/38/20/91/1170382091.db2.gz QWSNEAPRPNVYPX-DTORHVGOSA-N 0 3 301.310 0.431 20 5 DCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC(N[C@H]2CCOC2)C1 ZINC001635942443 1171717429 /nfs/dbraw/zinc/71/74/29/1171717429.db2.gz TXUJWBXVTOGAJU-LBPRGKRZSA-N 0 3 305.334 0.727 20 5 DCBDHN COC(=O)c1ccnc(NC[C@@H]2CSCCN2)c1[N+](=O)[O-] ZINC001640350575 1171878471 /nfs/dbraw/zinc/87/84/71/1171878471.db2.gz KDNPIMLBMOFRHL-MRVPVSSYSA-N 0 3 312.351 0.893 20 5 DCBDHN COC[C@@](C)(CO)NCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001644132564 1171997006 /nfs/dbraw/zinc/99/70/06/1171997006.db2.gz CVVCJJUUMZBGKU-CQSZACIVSA-N 0 3 314.338 0.969 20 5 DCBDHN O=C(N[C@@H]1CCC[C@H]1N1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001650739567 1173730829 /nfs/dbraw/zinc/73/08/29/1173730829.db2.gz NOKLUGVTEOBVTP-ZYHUDNBSSA-N 0 3 323.353 0.426 20 5 DCBDHN CNC(=O)NCC(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001663968511 1174377745 /nfs/dbraw/zinc/37/77/45/1174377745.db2.gz RZHKCTURSPOYSM-UHFFFAOYSA-N 0 3 323.353 0.072 20 5 DCBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001670000634 1174969342 /nfs/dbraw/zinc/96/93/42/1174969342.db2.gz AQYAEJFXBSLBCU-WDEREUQCSA-N 0 3 321.337 0.003 20 5 DCBDHN CN(CCCNCc1nc(C2CC2)no1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001699506004 1178170534 /nfs/dbraw/zinc/17/05/34/1178170534.db2.gz BCXIJLAWNJBXDC-GHMZBOCLSA-N 0 3 323.353 0.550 20 5 DCBDHN CCc1nc(C)c(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001699651072 1178239400 /nfs/dbraw/zinc/23/94/00/1178239400.db2.gz LLNJEJMHWAOWCL-GHMZBOCLSA-N 0 3 322.365 0.949 20 5 DCBDHN COc1cncc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001712946560 1180577899 /nfs/dbraw/zinc/57/78/99/1180577899.db2.gz ZMNLQLXRFKRYJZ-VXGBXAGGSA-N 0 3 323.353 0.089 20 5 DCBDHN CCc1nc(C)c(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001732848561 1186011295 /nfs/dbraw/zinc/01/12/95/1186011295.db2.gz BFTLXKGWEMSIFL-GKUNOOHESA-N 0 3 322.365 0.973 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CC(C)(C)O ZINC001157292216 761928345 /nfs/dbraw/zinc/92/83/45/761928345.db2.gz XLGBBAJLZKEQMQ-UHFFFAOYSA-N 0 3 313.358 0.085 20 5 DCBDHN CCn1nncc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126728243 749677489 /nfs/dbraw/zinc/67/74/89/749677489.db2.gz WZDJGRABPIXXHF-UHFFFAOYSA-N 0 3 318.337 0.726 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cnccn1 ZINC001122828052 751163559 /nfs/dbraw/zinc/16/35/59/751163559.db2.gz YZFVKPZMBWVZQA-UHFFFAOYSA-N 0 3 301.306 0.904 20 5 DCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3ncc(O)cn3)CC2)C1 ZINC001169042116 760556713 /nfs/dbraw/zinc/55/67/13/760556713.db2.gz CYJMDWSZOJESSX-NEPJUHHUSA-N 0 3 307.354 0.750 20 5 DCBDHN COc1cc2ncnc(-n3nncc3CN)c2cc1[N+](=O)[O-] ZINC001158423473 763888580 /nfs/dbraw/zinc/88/85/80/763888580.db2.gz TWLSHYDGNXFMQY-UHFFFAOYSA-N 0 3 301.266 0.586 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1csnn1 ZINC001131972316 764153361 /nfs/dbraw/zinc/15/33/61/764153361.db2.gz JUSQATLPIYTESR-UHFFFAOYSA-N 0 3 307.335 0.966 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN1C1CCOCC1 ZINC001134085742 765335722 /nfs/dbraw/zinc/33/57/22/765335722.db2.gz VLFJGEAOVNSZTH-LBPRGKRZSA-N 0 3 323.353 0.161 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001118709118 766411951 /nfs/dbraw/zinc/41/19/51/766411951.db2.gz ZHJCBSXMYLOSQL-UHFFFAOYSA-N 0 3 321.381 0.253 20 5 DCBDHN O=C(Cc1nc[nH]n1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001147271711 767702012 /nfs/dbraw/zinc/70/20/12/767702012.db2.gz OGORFEZKLJCJAD-UHFFFAOYSA-N 0 3 304.310 0.161 20 5 DCBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C(=O)NCC(N)=O ZINC001173224152 769566317 /nfs/dbraw/zinc/56/63/17/769566317.db2.gz MLPQOXJFSFOHNV-ZJUUUORDSA-N 0 3 308.338 0.105 20 5 DCBDHN Nc1cc(NCc2nnn3c2CNCCC3)ncc1[N+](=O)[O-] ZINC001155397331 770491364 /nfs/dbraw/zinc/49/13/64/770491364.db2.gz HNUZHWZTQZFXAK-UHFFFAOYSA-N 0 3 304.314 0.269 20 5 DCBDHN CC(C)c1nnc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001157760766 771665402 /nfs/dbraw/zinc/66/54/02/771665402.db2.gz IRYCLTIBTGQOET-NXEZZACHSA-N 0 3 311.342 0.454 20 5 DCBDHN COC(=O)c1ccnc(N[C@@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159497218 771919422 /nfs/dbraw/zinc/91/94/22/771919422.db2.gz HESOZBRVYRGXNB-WPRPVWTQSA-N 0 3 310.310 0.565 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(NCc2nnn3c2CNCCC3)n1 ZINC001162967925 772436888 /nfs/dbraw/zinc/43/68/88/772436888.db2.gz WIFAIEKUPWXIKH-UHFFFAOYSA-N 0 3 319.325 0.695 20 5 DCBDHN Cc1n[nH]cc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001163671421 772556390 /nfs/dbraw/zinc/55/63/90/772556390.db2.gz DYGFBTDPXCMTDJ-UHFFFAOYSA-N 0 3 321.341 0.270 20 5 DCBDHN COc1nc(-n2cnc3c2CNCC3)nc(OC)c1[N+](=O)[O-] ZINC001164314003 772644894 /nfs/dbraw/zinc/64/48/94/772644894.db2.gz YSAKSYJRRCDNEK-UHFFFAOYSA-N 0 3 306.282 0.233 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165269066 772713784 /nfs/dbraw/zinc/71/37/84/772713784.db2.gz BWXIJOLJIWLYKM-RYUDHWBXSA-N 0 3 322.321 0.344 20 5 DCBDHN CC(C)n1ccc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001317584371 945085919 /nfs/dbraw/zinc/08/59/19/945085919.db2.gz AMHFHAGWGPPEPS-CHWSQXEVSA-N 0 3 309.370 0.677 20 5 DCBDHN CN(C)CCn1nccc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC001261251266 947230174 /nfs/dbraw/zinc/23/01/74/947230174.db2.gz RFVZGDOSJOHLSA-UHFFFAOYSA-N 0 3 307.314 0.339 20 5 DCBDHN COc1c(O)ccc(CNC[C@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC001333725560 952141491 /nfs/dbraw/zinc/14/14/91/952141491.db2.gz YOQJJMWZUGXOTM-LBPRGKRZSA-N 0 3 324.381 0.644 20 5 DCBDHN CN(CCNc1ncc(Cl)cc1[N+](=O)[O-])CCOCCO ZINC001458547217 1012210580 /nfs/dbraw/zinc/21/05/80/1012210580.db2.gz LMHBQRGPECTIKY-UHFFFAOYSA-N 0 3 318.761 0.996 20 5 DCBDHN Cc1cc(C(=O)NCC(=O)NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000272809002 210211480 /nfs/dbraw/zinc/21/14/80/210211480.db2.gz IUUHZUFAAGXSOI-NSHDSACASA-N 0 3 322.365 0.699 20 5 DCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CN(C)C ZINC000287187133 219368849 /nfs/dbraw/zinc/36/88/49/219368849.db2.gz LYWGLFPVBTUANX-WDEREUQCSA-N 0 3 322.365 0.779 20 5 DCBDHN CN(C)C[C@](C)(O)CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000281172576 216128691 /nfs/dbraw/zinc/12/86/91/216128691.db2.gz MQEBYDSFXHHDOC-CQSZACIVSA-N 0 3 321.337 0.968 20 5 DCBDHN COC(=O)[C@H]1C[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000566119038 291271655 /nfs/dbraw/zinc/27/16/55/291271655.db2.gz OUEXOJMHUMVCMT-TUAOUCFPSA-N 0 3 324.333 0.876 20 5 DCBDHN N[C@H]1C[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496168 291308754 /nfs/dbraw/zinc/30/87/54/291308754.db2.gz PFBAHRYNBOLLFD-NEPJUHHUSA-N 0 3 320.349 0.217 20 5 DCBDHN O=C(C[C@@H]1CNCCO1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572997737 291604346 /nfs/dbraw/zinc/60/43/46/291604346.db2.gz LPPKHOQUWNHBAI-CYBMUJFWSA-N 0 3 309.322 0.468 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNCCC2(F)F)cc1 ZINC000420436603 285138776 /nfs/dbraw/zinc/13/87/76/285138776.db2.gz BCZMEEPUJJVRRJ-JTQLQIEISA-N 0 3 321.305 0.870 20 5 DCBDHN C[C@H]1CCNC(=O)[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193586897 395772729 /nfs/dbraw/zinc/77/27/29/395772729.db2.gz ABPJABGSZBUFGF-COPLHBTASA-N 0 3 323.349 0.449 20 5 DCBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[NH2+]C1 ZINC000052093292 395858816 /nfs/dbraw/zinc/85/88/16/395858816.db2.gz WZSXYOPQWXZLQE-QMMMGPOBSA-N 0 3 305.743 0.888 20 5 DCBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000271070381 395835385 /nfs/dbraw/zinc/83/53/85/395835385.db2.gz YBNHSYCMNPIYFZ-LLVKDONJSA-N 0 3 309.370 0.980 20 5 DCBDHN CCN(CC)CC(=O)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000058791937 395956120 /nfs/dbraw/zinc/95/61/20/395956120.db2.gz BYXZFWWBHLFALJ-UHFFFAOYSA-N 0 3 324.385 0.319 20 5 DCBDHN Cn1ccnc1[C@H]1CNCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000261782743 396064813 /nfs/dbraw/zinc/06/48/13/396064813.db2.gz PNAUTXKEGONCIZ-SNVBAGLBSA-N 0 3 305.342 0.208 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(Cl)c1 ZINC000252411654 396018756 /nfs/dbraw/zinc/01/87/56/396018756.db2.gz NDTJSWHVXJORBK-VROVMSAKSA-N 0 3 317.754 0.744 20 5 DCBDHN C[C@H]1CCSCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279322870 396165970 /nfs/dbraw/zinc/16/59/70/396165970.db2.gz SMEUYUPFPFISEH-CMPLNLGQSA-N 0 3 300.384 0.980 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CCN(C)CC2)c1 ZINC000080880301 396287606 /nfs/dbraw/zinc/28/76/06/396287606.db2.gz LCSDZZJXSVFNSE-UHFFFAOYSA-N 0 3 323.349 0.790 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264544544 396288989 /nfs/dbraw/zinc/28/89/89/396288989.db2.gz BHYITQVFCKZWPR-GFCCVEGCSA-N 0 3 307.354 0.878 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269047693 396382961 /nfs/dbraw/zinc/38/29/61/396382961.db2.gz PFOBWPLDRNJFGF-GXFFZTMASA-N 0 3 322.369 0.573 20 5 DCBDHN CCCN(CC)C[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000291551932 396498171 /nfs/dbraw/zinc/49/81/71/396498171.db2.gz MWMXKBKQGFDUOI-GFCCVEGCSA-N 0 3 324.381 0.993 20 5 DCBDHN COc1cc(CNC[C@@]2(O)CCOC2)c([N+](=O)[O-])cc1OC ZINC000269978843 396457055 /nfs/dbraw/zinc/45/70/55/396457055.db2.gz MPRNNOYBXWZAMC-AWEZNQCLSA-N 0 3 312.322 0.853 20 5 DCBDHN N[C@H]1C[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000594875976 396533357 /nfs/dbraw/zinc/53/33/57/396533357.db2.gz UOYIEMLKCYHSCN-SKDRFNHKSA-N 0 3 308.313 0.478 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)Cn1ccnn1 ZINC000595054181 396546057 /nfs/dbraw/zinc/54/60/57/396546057.db2.gz ZAPNEDXMHDJMQH-CMPLNLGQSA-N 0 3 321.337 0.907 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC23CC[NH2+]CC3)nc1 ZINC000595112067 396550813 /nfs/dbraw/zinc/55/08/13/396550813.db2.gz RIYQPAFYIPCYES-SNVBAGLBSA-N 0 3 312.351 0.410 20 5 DCBDHN COc1cc(CNC[C@H]2CC[C@@H](CO)O2)c([N+](=O)[O-])cc1O ZINC000292768247 396567523 /nfs/dbraw/zinc/56/75/23/396567523.db2.gz SLOBMKXGTPXGRO-MNOVXSKESA-N 0 3 312.322 0.939 20 5 DCBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588861852 396695673 /nfs/dbraw/zinc/69/56/73/396695673.db2.gz VSDNUKXGBFMSFU-KGLIPLIRSA-N 0 3 305.334 0.876 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000588863789 396696989 /nfs/dbraw/zinc/69/69/89/396696989.db2.gz OZJBYOQARXWQCD-SNVBAGLBSA-N 0 3 306.322 0.728 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC(C)(C)O)CC1 ZINC000315581599 396791587 /nfs/dbraw/zinc/79/15/87/396791587.db2.gz LGCGWSFWDLRZQI-UHFFFAOYSA-N 0 3 311.386 0.488 20 5 DCBDHN C[C@@H](CCO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576086 397098316 /nfs/dbraw/zinc/09/83/16/397098316.db2.gz AMTJSZLSWSRLPZ-JTQLQIEISA-N 0 3 302.352 0.729 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597653780 397046003 /nfs/dbraw/zinc/04/60/03/397046003.db2.gz LYXUIWCYYHDDPP-GFCCVEGCSA-N 0 3 320.349 0.588 20 5 DCBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCCC[NH2+]1 ZINC000592367275 397161326 /nfs/dbraw/zinc/16/13/26/397161326.db2.gz NEVUKACQTQVZRN-VIFPVBQESA-N 0 3 300.340 0.410 20 5 DCBDHN Cc1ccc([C@H](C)NC(=O)CN2CCNCC2)cc1[N+](=O)[O-] ZINC000602465108 397409364 /nfs/dbraw/zinc/40/93/64/397409364.db2.gz HWJBRVHJNKUDOK-LBPRGKRZSA-N 0 3 306.366 0.986 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000087384195 158091652 /nfs/dbraw/zinc/09/16/52/158091652.db2.gz MKDLNKNCIJOBBU-SNVBAGLBSA-N 0 3 315.351 0.619 20 5 DCBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)CN1CCN(C)CC1 ZINC000330534582 159187743 /nfs/dbraw/zinc/18/77/43/159187743.db2.gz INMFKRLBTUCPDS-LBPRGKRZSA-N 0 3 323.397 0.547 20 5 DCBDHN CCN(CC)[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000330535620 159188012 /nfs/dbraw/zinc/18/80/12/159188012.db2.gz RXFXUZCHCOKJHA-LBPRGKRZSA-N 0 3 322.365 0.699 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368050085 159372129 /nfs/dbraw/zinc/37/21/29/159372129.db2.gz YPOHUGKVNFLIHK-QWRGUYRKSA-N 0 3 320.349 0.770 20 5 DCBDHN CN(C)C1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC000276020469 415410748 /nfs/dbraw/zinc/41/07/48/415410748.db2.gz QTXFIMZOTCHTJN-UHFFFAOYSA-N 0 3 308.338 0.357 20 5 DCBDHN C[C@H](CN(C)C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000343800447 415735819 /nfs/dbraw/zinc/73/58/19/415735819.db2.gz YORFQCXVJSSHPP-MRVPVSSYSA-N 0 3 302.356 0.604 20 5 DCBDHN COC(=O)Cc1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000295626567 415900057 /nfs/dbraw/zinc/90/00/57/415900057.db2.gz BGWSUMHYIKSNIJ-KBPBESRZSA-N 0 3 323.349 0.421 20 5 DCBDHN CCN1CCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000153037527 415974803 /nfs/dbraw/zinc/97/48/03/415974803.db2.gz UUBSYFPBWQZHHV-NSHDSACASA-N 0 3 310.358 0.575 20 5 DCBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)N(C)C ZINC000298307135 416001765 /nfs/dbraw/zinc/00/17/65/416001765.db2.gz NVCOCQYEITXSFB-QMMMGPOBSA-N 0 3 302.356 0.604 20 5 DCBDHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000298614891 416018773 /nfs/dbraw/zinc/01/87/73/416018773.db2.gz XOAWINGSBBFGIY-UHFFFAOYSA-N 0 3 308.338 0.990 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCN(CC3CCOCC3)CC2)c1 ZINC000174868426 416087380 /nfs/dbraw/zinc/08/73/80/416087380.db2.gz VDIZAYQJSZDKKI-UHFFFAOYSA-N 0 3 323.397 0.836 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000176240515 416122537 /nfs/dbraw/zinc/12/25/37/416122537.db2.gz HBIRPULHEXHXID-AWEZNQCLSA-N 0 3 323.397 0.836 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000358039550 416174441 /nfs/dbraw/zinc/17/44/41/416174441.db2.gz CLFCRJXIZQEPQZ-ZDUSSCGKSA-N 0 3 312.301 0.113 20 5 DCBDHN COc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000358059550 416183962 /nfs/dbraw/zinc/18/39/62/416183962.db2.gz RRONHFFVRVOIJL-AWEZNQCLSA-N 0 3 309.322 0.400 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358140920 416201396 /nfs/dbraw/zinc/20/13/96/416201396.db2.gz PHVWSHXXCZHQSZ-CYBMUJFWSA-N 0 3 312.301 0.922 20 5 DCBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CNCCO1 ZINC000418764581 416390201 /nfs/dbraw/zinc/39/02/01/416390201.db2.gz KTWXVVYZYIUNHQ-ZDUSSCGKSA-N 0 3 322.365 0.767 20 5 DCBDHN NC[C@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419035971 416395993 /nfs/dbraw/zinc/39/59/93/416395993.db2.gz FVXQJKLVHSGHNT-LBPRGKRZSA-N 0 3 320.349 0.107 20 5 DCBDHN Cc1cc(OCC(=O)NC[C@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000435819066 416538491 /nfs/dbraw/zinc/53/84/91/416538491.db2.gz PAPFPTXHGMHZPS-OAHLLOKOSA-N 0 3 323.349 0.465 20 5 DCBDHN CCO[C@H]1COCC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000362027199 416546486 /nfs/dbraw/zinc/54/64/86/416546486.db2.gz NRJSKZYETZWBMT-OLZOCXBDSA-N 0 3 311.338 0.540 20 5 DCBDHN CCCN1CC[C@H](NC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000598341890 416602210 /nfs/dbraw/zinc/60/22/10/416602210.db2.gz HVAHZFMLYMUGRS-JTQLQIEISA-N 0 3 307.354 1.246 20 5 DCBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC000425063711 416682260 /nfs/dbraw/zinc/68/22/60/416682260.db2.gz GBGGYMUHSMPXKU-JOYOIKCWSA-N 0 3 305.338 0.738 20 5 DCBDHN C[C@@H](O)[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519636143 416923209 /nfs/dbraw/zinc/92/32/09/416923209.db2.gz CBHUMYNCVFXBLR-VHSXEESVSA-N 0 3 317.367 0.232 20 5 DCBDHN NCc1cn([C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000521252239 416999187 /nfs/dbraw/zinc/99/91/87/416999187.db2.gz DDIXRUJZBQODDI-LBPRGKRZSA-N 0 3 320.357 0.179 20 5 DCBDHN COc1cc(CNC[C@H]2CNCCO2)c([N+](=O)[O-])cc1OC ZINC000415094520 417328942 /nfs/dbraw/zinc/32/89/42/417328942.db2.gz KDIJSJDLEJXIMG-LLVKDONJSA-N 0 3 311.338 0.690 20 5 DCBDHN Cn1c(C(=O)NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000452353244 417470572 /nfs/dbraw/zinc/47/05/72/417470572.db2.gz UCXUCLKISWCSEQ-NSHDSACASA-N 0 3 310.354 0.510 20 5 DCBDHN N[C@H]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000576122840 417582931 /nfs/dbraw/zinc/58/29/31/417582931.db2.gz QBAVWHDKHQXVHK-SCZZXKLOSA-N 0 3 311.729 0.391 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578950035 417688986 /nfs/dbraw/zinc/68/89/86/417688986.db2.gz PPQQGCBFIGTJPB-KCJUWKMLSA-N 0 3 305.338 0.785 20 5 DCBDHN CNc1nccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000579255322 417689392 /nfs/dbraw/zinc/68/93/92/417689392.db2.gz BRIFVTSMJPMIME-PWSUYJOCSA-N 0 3 321.381 1.444 20 5 DCBDHN COc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000440840261 287409502 /nfs/dbraw/zinc/40/95/02/287409502.db2.gz DXUYNPZQQUVXFV-SSDOTTSWSA-N 0 3 321.330 0.616 20 5 DCBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000440860324 287410044 /nfs/dbraw/zinc/41/00/44/287410044.db2.gz OJCFHYJSZMGZSJ-ZETCQYMHSA-N 0 3 321.330 0.758 20 5 DCBDHN CNc1nccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000577864906 417680966 /nfs/dbraw/zinc/68/09/66/417680966.db2.gz YFGMULIGMGWEJJ-HNNXBMFYSA-N 0 3 319.365 1.199 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(CC3CC3)CC2)c1 ZINC000304306077 261173964 /nfs/dbraw/zinc/17/39/64/261173964.db2.gz JHYSORHFXZBOJN-CQSZACIVSA-N 0 3 309.370 0.180 20 5 DCBDHN CN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000316576530 261175119 /nfs/dbraw/zinc/17/51/19/261175119.db2.gz LUBCKXFWZBOAED-HJHHMULASA-N 0 3 304.350 0.709 20 5 DCBDHN CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000316675622 261175559 /nfs/dbraw/zinc/17/55/59/261175559.db2.gz HHICIRQNKNRILC-KTRBRXNASA-N 0 3 304.350 0.709 20 5 DCBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000354566178 261238183 /nfs/dbraw/zinc/23/81/83/261238183.db2.gz LGNJWEAMZCWLOT-JSGCOSHPSA-N 0 3 320.397 0.847 20 5 DCBDHN C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000418773343 262288525 /nfs/dbraw/zinc/28/85/25/262288525.db2.gz BXYMSEYCEBATKU-GXFFZTMASA-N 0 3 320.349 0.722 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000492557673 272135369 /nfs/dbraw/zinc/13/53/69/272135369.db2.gz DBGKVTULNMSUIN-NFBGWVBBSA-N 0 3 305.334 0.791 20 5 DCBDHN O=C1OCCN1C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000495910887 272281751 /nfs/dbraw/zinc/28/17/51/272281751.db2.gz BZZBRJLLRJRUKM-NSHDSACASA-N 0 3 309.326 0.565 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CCN2C1=O ZINC000519710115 287679972 /nfs/dbraw/zinc/67/99/72/287679972.db2.gz NEAAKMIOBXVQNJ-HTQZYQBOSA-N 0 3 322.350 0.052 20 5 DCBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000157303687 277182351 /nfs/dbraw/zinc/18/23/51/277182351.db2.gz CGIIPCOTCIJTRW-NEPJUHHUSA-N 0 3 307.354 0.734 20 5 DCBDHN CCN1CCN(C[C@H](C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547764225 288076726 /nfs/dbraw/zinc/07/67/26/288076726.db2.gz JALAMVPPVQDYNX-LLVKDONJSA-N 0 3 324.385 0.321 20 5 DCBDHN CN(C(=O)CNC(C)(C)CC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000186259370 281741326 /nfs/dbraw/zinc/74/13/26/281741326.db2.gz WXDZFSVPMSHDQK-UHFFFAOYSA-N 0 3 308.338 0.801 20 5 DCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000560508559 288508573 /nfs/dbraw/zinc/50/85/73/288508573.db2.gz MFORAKTULLAXNJ-HNNXBMFYSA-N 0 3 305.334 0.781 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000582431997 336975148 /nfs/dbraw/zinc/97/51/48/336975148.db2.gz YOGJJNBUTRTLJS-PSASIEDQSA-N 0 3 310.741 0.996 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331022759 533913204 /nfs/dbraw/zinc/91/32/04/533913204.db2.gz ZMWBPZQFBDYPNB-LLVKDONJSA-N 0 3 309.370 0.679 20 5 DCBDHN CN(C)[C@@H]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000162076769 522036997 /nfs/dbraw/zinc/03/69/97/522036997.db2.gz TVPMDTQBFPCZAE-LLVKDONJSA-N 0 3 310.358 0.527 20 5 DCBDHN Cc1noc(CN2CC[C@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000934271274 658264875 /nfs/dbraw/zinc/26/48/75/658264875.db2.gz GFEPIFBPIWPTSO-NEPJUHHUSA-N 0 3 310.354 0.922 20 5 DCBDHN CN1CC[C@H]1CNc1ncc([N+](=O)[O-])c(NC[C@@H]2CCN2C)n1 ZINC000895769206 662214057 /nfs/dbraw/zinc/21/40/57/662214057.db2.gz OENFVCUWEYKGPE-QWRGUYRKSA-N 0 3 321.385 0.617 20 5 DCBDHN Cn1cc(CN2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001000672601 665914154 /nfs/dbraw/zinc/91/41/54/665914154.db2.gz YJVKIWFYSAOJDG-ZIAGYGMSSA-N 0 3 319.365 0.334 20 5 DCBDHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1CC[N+](=O)[O-] ZINC000899880851 663197000 /nfs/dbraw/zinc/19/70/00/663197000.db2.gz AWZIQHNZJAZQGS-OAHLLOKOSA-N 0 3 318.333 0.460 20 5 DCBDHN CCc1noc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996441245 666786014 /nfs/dbraw/zinc/78/60/14/666786014.db2.gz PATDCQXVBYQGQW-GHMZBOCLSA-N 0 3 323.353 0.378 20 5 DCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3OCCN[C@@H]3C2)c1 ZINC000923385013 667522302 /nfs/dbraw/zinc/52/23/02/667522302.db2.gz SGHLPYPACKYNOL-RBSFLKMASA-N 0 3 307.350 0.691 20 5 DCBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000874837027 668224993 /nfs/dbraw/zinc/22/49/93/668224993.db2.gz GADRMWZXBDZXFM-STQMWFEESA-N 0 3 320.349 0.452 20 5 DCBDHN COc1ccc(NC(=O)CN[C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000763086267 668397030 /nfs/dbraw/zinc/39/70/30/668397030.db2.gz RKUFHCPHTALCKV-LBPRGKRZSA-N 0 3 309.322 0.902 20 5 DCBDHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC[N+](=O)[O-])CC1 ZINC000930496244 669030070 /nfs/dbraw/zinc/03/00/70/669030070.db2.gz ARMSCTQFBHBUEJ-LLVKDONJSA-N 0 3 307.416 0.645 20 5 DCBDHN COCCN(CCN(C)C)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932041567 669303054 /nfs/dbraw/zinc/30/30/54/669303054.db2.gz BFWVXDHNHOLJNN-UHFFFAOYSA-N 0 3 313.358 0.136 20 5 DCBDHN CC(COC(=O)CNC(=O)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813100418 670611009 /nfs/dbraw/zinc/61/10/09/670611009.db2.gz RYFYDRIRRBWCJQ-QMMMGPOBSA-N 0 3 310.262 0.354 20 5 DCBDHN CCS(=O)(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813106787 670612026 /nfs/dbraw/zinc/61/20/26/670612026.db2.gz HRDMOWRMHZLBSY-VIFPVBQESA-N 0 3 308.356 0.257 20 5 DCBDHN CC(COC(=O)c1coc(S(=O)(=O)N(C)C)c1)[N+](=O)[O-] ZINC000813112905 670612798 /nfs/dbraw/zinc/61/27/98/670612798.db2.gz WCSZHDHEYOLKAD-SSDOTTSWSA-N 0 3 306.296 0.352 20 5 DCBDHN CC(COC(=O)[C@H]1COCCN1CC(F)(F)F)[N+](=O)[O-] ZINC000813114448 670612934 /nfs/dbraw/zinc/61/29/34/670612934.db2.gz BNMDJGSWZNZAPV-JGVFFNPUSA-N 0 3 300.233 0.458 20 5 DCBDHN CN(CCO)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829750682 671587390 /nfs/dbraw/zinc/58/73/90/671587390.db2.gz TVXZOFIHNHJAEF-KGLIPLIRSA-N 0 3 307.350 0.739 20 5 DCBDHN CN(CCO)CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829750666 671587862 /nfs/dbraw/zinc/58/78/62/671587862.db2.gz TVXZOFIHNHJAEF-KBPBESRZSA-N 0 3 307.350 0.739 20 5 DCBDHN CN1CC[C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000836847679 671834472 /nfs/dbraw/zinc/83/44/72/671834472.db2.gz AFSOZXYOHIVKOM-XBFCOCLRSA-N 0 3 305.334 0.791 20 5 DCBDHN CC(C)n1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001020139363 693709997 /nfs/dbraw/zinc/70/99/97/693709997.db2.gz ZHAZHSDRANLPAR-FPQZTECRSA-N 0 3 322.369 0.261 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(C)ncn1 ZINC001567425388 1160361286 /nfs/dbraw/zinc/36/12/86/1160361286.db2.gz MXYLJZLQDYYRHN-ZIAGYGMSSA-N 0 3 321.381 0.778 20 5 DCBDHN CCC(=O)NCC(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001567475079 1160383150 /nfs/dbraw/zinc/38/31/50/1160383150.db2.gz BIJIAMNEUOPMRE-UHFFFAOYSA-N 0 3 322.365 0.669 20 5 DCBDHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC[N@@H+]1C ZINC001590175198 1166801251 /nfs/dbraw/zinc/80/12/51/1166801251.db2.gz MPVRDMRYINGRAF-HTQZYQBOSA-N 0 3 318.341 0.862 20 5 DCBDHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC[N@H+]1C ZINC001590175198 1166801255 /nfs/dbraw/zinc/80/12/55/1166801255.db2.gz MPVRDMRYINGRAF-HTQZYQBOSA-N 0 3 318.341 0.862 20 5 DCBDHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[N@@H+]1C ZINC001590175198 1166801266 /nfs/dbraw/zinc/80/12/66/1166801266.db2.gz MPVRDMRYINGRAF-HTQZYQBOSA-N 0 3 318.341 0.862 20 5 DCBDHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[N@H+]1C ZINC001590175198 1166801269 /nfs/dbraw/zinc/80/12/69/1166801269.db2.gz MPVRDMRYINGRAF-HTQZYQBOSA-N 0 3 318.341 0.862 20 5 DCBDHN CCC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001590569430 1166945951 /nfs/dbraw/zinc/94/59/51/1166945951.db2.gz RKBJJVXBJAIKCK-JTQLQIEISA-N 0 3 318.341 0.748 20 5 DCBDHN CCC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001590569430 1166945955 /nfs/dbraw/zinc/94/59/55/1166945955.db2.gz RKBJJVXBJAIKCK-JTQLQIEISA-N 0 3 318.341 0.748 20 5 DCBDHN C[NH+](C)[C@@H]1[C@H]2CN(c3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])C[C@H]21 ZINC001591024925 1167083974 /nfs/dbraw/zinc/08/39/74/1167083974.db2.gz MLGBJPFMIPSBLN-IAZYJMLFSA-N 0 3 315.337 0.771 20 5 DCBDHN C[NH+](C)[C@@H]1[C@H]2CN(c3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])C[C@H]21 ZINC001591024925 1167083978 /nfs/dbraw/zinc/08/39/78/1167083978.db2.gz MLGBJPFMIPSBLN-IAZYJMLFSA-N 0 3 315.337 0.771 20 5 DCBDHN C[C@H](CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C[NH+](C)C ZINC001603561941 1169323860 /nfs/dbraw/zinc/32/38/60/1169323860.db2.gz JJWSBKGBEDJCNU-MRVPVSSYSA-N 0 3 306.330 0.780 20 5 DCBDHN C[C@H](CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C[NH+](C)C ZINC001603561941 1169323867 /nfs/dbraw/zinc/32/38/67/1169323867.db2.gz JJWSBKGBEDJCNU-MRVPVSSYSA-N 0 3 306.330 0.780 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001626175164 1169593628 /nfs/dbraw/zinc/59/36/28/1169593628.db2.gz RPDOYKXKXLDEGB-NWDGAFQWSA-N 0 3 320.349 0.770 20 5 DCBDHN C[NH+](C)[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604678891 1169653173 /nfs/dbraw/zinc/65/31/73/1169653173.db2.gz CZACPCLIHNWHEM-SNVBAGLBSA-N 0 3 318.341 0.700 20 5 DCBDHN C[NH+](C)[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604678891 1169653176 /nfs/dbraw/zinc/65/31/76/1169653176.db2.gz CZACPCLIHNWHEM-SNVBAGLBSA-N 0 3 318.341 0.700 20 5 DCBDHN CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604686184 1169656513 /nfs/dbraw/zinc/65/65/13/1169656513.db2.gz LRONDTLFEZDJFD-UHFFFAOYSA-N 0 3 320.357 0.745 20 5 DCBDHN CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604686184 1169656515 /nfs/dbraw/zinc/65/65/15/1169656515.db2.gz LRONDTLFEZDJFD-UHFFFAOYSA-N 0 3 320.357 0.745 20 5 DCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(N[C@@H]3CCOC3)C2)n1 ZINC001635941672 1171717478 /nfs/dbraw/zinc/71/74/78/1171717478.db2.gz NGLDJORERHYYSC-SECBINFHSA-N 0 3 309.326 0.014 20 5 DCBDHN Cn1cc([N+](=O)[O-])c(N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC001642217755 1171938962 /nfs/dbraw/zinc/93/89/62/1171938962.db2.gz DUVYAUDVHWRAPC-UHFFFAOYSA-N 0 3 322.369 0.073 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CN(C)CC1(C)C ZINC001646378307 1172357465 /nfs/dbraw/zinc/35/74/65/1172357465.db2.gz DUKGDNOHRKWYJR-LLVKDONJSA-N 0 3 309.370 0.946 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])ccc1F)N1CC(N[C@@H]2CCOC2)C1 ZINC001652690859 1173775227 /nfs/dbraw/zinc/77/52/27/1173775227.db2.gz NZUJHQJMJPOXFK-SECBINFHSA-N 0 3 309.297 0.937 20 5 DCBDHN O=C(NCC1(NCc2cnns2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001673164063 1175176575 /nfs/dbraw/zinc/17/65/75/1175176575.db2.gz LDTSTWMMWRGUNB-NXEZZACHSA-N 0 3 311.367 0.332 20 5 DCBDHN NC(=O)CC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001717148925 1182695494 /nfs/dbraw/zinc/69/54/94/1182695494.db2.gz WZOCVZSTWFMMJE-UHFFFAOYSA-N 0 3 320.349 0.599 20 5 DCBDHN CCc1noc(CNCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001723020029 1184250455 /nfs/dbraw/zinc/25/04/55/1184250455.db2.gz MOFPLOMREXUQFB-NXEZZACHSA-N 0 3 311.342 0.235 20 5 DCBDHN O=C(NC1(CNCc2cnon2)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001725223819 1184729783 /nfs/dbraw/zinc/72/97/83/1184729783.db2.gz NHSAZQLXKSJDTH-VXGBXAGGSA-N 0 3 323.353 0.644 20 5 DCBDHN CCN(CCNCc1cc(C)n(C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732774460 1185959992 /nfs/dbraw/zinc/95/99/92/1185959992.db2.gz DQFPSRUUDWFXIB-CHWSQXEVSA-N 0 3 309.370 0.332 20 5 DCBDHN CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CN1CCCC1 ZINC001101633148 764208174 /nfs/dbraw/zinc/20/81/74/764208174.db2.gz ACKGCRMWGJLZBS-UHFFFAOYSA-N 0 3 307.354 0.956 20 5 DCBDHN Cc1nn[nH]c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132209504 764302608 /nfs/dbraw/zinc/30/26/08/764302608.db2.gz DEOSMAZZKDLTHM-UHFFFAOYSA-N 0 3 304.310 0.541 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccon1 ZINC001155144136 770413339 /nfs/dbraw/zinc/41/33/39/770413339.db2.gz YZYPDDFWQKNIDM-UHFFFAOYSA-N 0 3 308.298 0.226 20 5 DCBDHN O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2CCCC[C@@]23CNCCO3)c1 ZINC001155823621 770631494 /nfs/dbraw/zinc/63/14/94/770631494.db2.gz AODFUBANNRNKOB-GXTWGEPZSA-N 0 3 308.338 0.941 20 5 DCBDHN COc1cc(C)nc(NC(=N)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC001157915400 771693420 /nfs/dbraw/zinc/69/34/20/771693420.db2.gz VGCYARXKTYIDDX-UHFFFAOYSA-N 0 3 308.342 0.901 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1CNCCO1 ZINC001159488624 771917969 /nfs/dbraw/zinc/91/79/69/771917969.db2.gz FFPQCWBXBSCGLF-KCJUWKMLSA-N 0 3 310.310 0.565 20 5 DCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@H]2CNCCO2)n1 ZINC001159502589 771921139 /nfs/dbraw/zinc/92/11/39/771921139.db2.gz NTVHJNABUDMNPL-OIBJUYFYSA-N 0 3 324.341 0.440 20 5 DCBDHN C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC001185801301 771957736 /nfs/dbraw/zinc/95/77/36/771957736.db2.gz DIMHQYJEYODTAQ-STQMWFEESA-N 0 3 322.413 0.791 20 5 DCBDHN Nc1nc(N2CC[C@H]3[C@@H]2CCCN3CCO)ncc1[N+](=O)[O-] ZINC001164303005 772642470 /nfs/dbraw/zinc/64/24/70/772642470.db2.gz NCBNISDBLYUZIE-UWVGGRQHSA-N 0 3 308.342 0.002 20 5 DCBDHN CCOC(=O)c1ccnc(-n2ncc3c2CCNC3)c1[N+](=O)[O-] ZINC001165222624 772707219 /nfs/dbraw/zinc/70/72/19/772707219.db2.gz FRNGKJQLAKIPEF-UHFFFAOYSA-N 0 3 317.305 0.998 20 5 DCBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cn[nH]n1 ZINC001268460669 940149192 /nfs/dbraw/zinc/14/91/92/940149192.db2.gz HZQGJDVKEGSXBU-UHFFFAOYSA-N 0 3 318.337 0.965 20 5 DCBDHN CC(=O)NCC(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001320956428 946082721 /nfs/dbraw/zinc/08/27/21/946082721.db2.gz KWQJBROWDUOICP-NSCUHMNNSA-N 0 3 320.349 0.493 20 5 DCBDHN Cc1cnc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001321057607 946146932 /nfs/dbraw/zinc/14/69/32/946146932.db2.gz QWLSTXHEODBJEY-LLGAQUFESA-N 0 3 305.338 0.212 20 5 DCBDHN COc1cc(C(=O)NOCCN(C)C)c([N+](=O)[O-])cc1F ZINC001329291041 949486176 /nfs/dbraw/zinc/48/61/76/949486176.db2.gz JYIBOPDORDVHGV-UHFFFAOYSA-N 0 3 301.274 0.966 20 5 DCBDHN NC(=O)CC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001265533228 949745562 /nfs/dbraw/zinc/74/55/62/949745562.db2.gz VAGAZRALUVRWGD-PHIMTYICSA-N 0 3 306.322 0.207 20 5 DCBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001330820558 950686033 /nfs/dbraw/zinc/68/60/33/950686033.db2.gz XEQHTYZSAFCCOX-UHFFFAOYSA-N 0 3 311.294 0.589 20 5 DCBDHN C[C@@H](c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001338056528 952955851 /nfs/dbraw/zinc/95/58/51/952955851.db2.gz KWZDAKKXVQFKPH-NWDGAFQWSA-N 0 3 324.385 0.311 20 5 DCBDHN O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341368424 953226021 /nfs/dbraw/zinc/22/60/21/953226021.db2.gz MWWJQEAVDUDADO-UBHSHLNASA-N 0 3 317.345 0.945 20 5 DCBDHN Cc1ccc([C@H](C)NC(=O)[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC001343337863 953338014 /nfs/dbraw/zinc/33/80/14/953338014.db2.gz WWBPUUKAJAXJKV-SMDDNHRTSA-N 0 3 306.366 0.984 20 5 DCBDHN NC(=O)C[C@H](NCc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC001459928085 1012834100 /nfs/dbraw/zinc/83/41/00/1012834100.db2.gz YOKYMOUDIKDMIT-LBPRGKRZSA-N 0 3 308.338 0.750 20 5 DCBDHN CN(CCCNCc1nnc(C2CC2)o1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001498546834 1019217304 /nfs/dbraw/zinc/21/73/04/1019217304.db2.gz ZNGDMOWZOZJMCD-GHMZBOCLSA-N 0 3 323.353 0.550 20 5 DCBDHN NC(=O)c1cccc(NC[C@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000339969073 283386183 /nfs/dbraw/zinc/38/61/83/283386183.db2.gz MWUCCGVRGKKBOE-NSHDSACASA-N 0 3 322.365 0.952 20 5 DCBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)N1CCNCC1 ZINC000566088004 291268345 /nfs/dbraw/zinc/26/83/45/291268345.db2.gz KGZIDXKJRQUODJ-CYBMUJFWSA-N 0 3 320.393 0.937 20 5 DCBDHN CCOc1cccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000566490495 291307476 /nfs/dbraw/zinc/30/74/76/291307476.db2.gz KBMXDAYOIUOPJX-MNOVXSKESA-N 0 3 320.349 0.742 20 5 DCBDHN CC(=O)c1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000569021433 291458842 /nfs/dbraw/zinc/45/88/42/291458842.db2.gz YSPHTQNQBSTVDX-WCQYABFASA-N 0 3 318.333 0.546 20 5 DCBDHN CCN1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000573676560 291647906 /nfs/dbraw/zinc/64/79/06/291647906.db2.gz GJUJOLLCFOHOER-VXGBXAGGSA-N 0 3 323.349 0.545 20 5 DCBDHN COc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000272990504 210370598 /nfs/dbraw/zinc/37/05/98/210370598.db2.gz WCYUVGPFVPUZKL-VIFPVBQESA-N 0 3 324.337 0.608 20 5 DCBDHN CN(CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C1CC1 ZINC000272959395 210343106 /nfs/dbraw/zinc/34/31/06/210343106.db2.gz ZLFQQUHFZDURNO-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000349690933 254292784 /nfs/dbraw/zinc/29/27/84/254292784.db2.gz HAZUMUOZHHGESM-GFCCVEGCSA-N 0 3 323.397 0.689 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CCOC1CNC1 ZINC000348989060 254267980 /nfs/dbraw/zinc/26/79/80/254267980.db2.gz JAENACZKGKWDIZ-UHFFFAOYSA-N 0 3 309.322 0.598 20 5 DCBDHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351525489 254343455 /nfs/dbraw/zinc/34/34/55/254343455.db2.gz SVKQANCVBDEYNZ-LLVKDONJSA-N 0 3 324.312 0.835 20 5 DCBDHN Cc1n[nH]c(C(=O)N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000330721764 533658860 /nfs/dbraw/zinc/65/88/60/533658860.db2.gz XUSMOLNLWMRRDG-UHFFFAOYSA-N 0 3 324.385 0.336 20 5 DCBDHN Cc1[nH]nc(C(=O)N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000330721764 533658866 /nfs/dbraw/zinc/65/88/66/533658866.db2.gz XUSMOLNLWMRRDG-UHFFFAOYSA-N 0 3 324.385 0.336 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC3(CO)COC3)C2)nc1 ZINC000089128436 395708437 /nfs/dbraw/zinc/70/84/37/395708437.db2.gz UELONQSBWIALTA-LLVKDONJSA-N 0 3 308.338 0.485 20 5 DCBDHN CCN1CCN(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000029587294 395698685 /nfs/dbraw/zinc/69/86/85/395698685.db2.gz ZMHJSCCFEJPLBH-UHFFFAOYSA-N 0 3 321.381 0.743 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](O)C1 ZINC000114485912 395835340 /nfs/dbraw/zinc/83/53/40/395835340.db2.gz FBDGARZAWDZJDU-LLVKDONJSA-N 0 3 309.322 0.999 20 5 DCBDHN C[C@H](CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000047639032 395798628 /nfs/dbraw/zinc/79/86/28/395798628.db2.gz LESJGLYLFCRBMX-MNOVXSKESA-N 0 3 322.365 0.779 20 5 DCBDHN CNS(=O)(=O)c1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000270699911 395799503 /nfs/dbraw/zinc/79/95/03/395799503.db2.gz AYYUZMUJEFYZBB-UHFFFAOYSA-N 0 3 314.367 0.253 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000123208054 395892667 /nfs/dbraw/zinc/89/26/67/395892667.db2.gz WTDHSWNZJAYSAN-OAHLLOKOSA-N 0 3 324.381 0.749 20 5 DCBDHN C[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)N(C)C ZINC000277158899 396052998 /nfs/dbraw/zinc/05/29/98/396052998.db2.gz SKDINNKDRICCLD-QMMMGPOBSA-N 0 3 302.356 0.604 20 5 DCBDHN COC[C@@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000069911632 396094427 /nfs/dbraw/zinc/09/44/27/396094427.db2.gz PJCUKGBAXNAVQU-AWEZNQCLSA-N 0 3 312.322 0.853 20 5 DCBDHN COCCN(C)CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171194681 396109719 /nfs/dbraw/zinc/10/97/19/396109719.db2.gz NHKYPHBVHXIBJF-UHFFFAOYSA-N 0 3 310.354 0.972 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@@H](O)[C@@H](O)C3)o2)c1 ZINC000278543571 396130331 /nfs/dbraw/zinc/13/03/31/396130331.db2.gz AKRARCMHEITYBU-BETUJISGSA-N 0 3 319.317 0.830 20 5 DCBDHN COC(=O)C[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179152922 396223233 /nfs/dbraw/zinc/22/32/33/396223233.db2.gz FCLGNOYTVILFRD-PWSUYJOCSA-N 0 3 312.326 0.180 20 5 DCBDHN COc1ccc(C(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000080891257 396288326 /nfs/dbraw/zinc/28/83/26/396288326.db2.gz MGLPVPJRQVHYMH-UHFFFAOYSA-N 0 3 323.349 0.790 20 5 DCBDHN CC(C)c1n[nH]c(C(=O)NC[C@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000269889589 396453848 /nfs/dbraw/zinc/45/38/48/396453848.db2.gz KCIJSMFLEKGJEV-ZDUSSCGKSA-N 0 3 313.358 0.484 20 5 DCBDHN CN(C[C@H]1CCCN(C)C1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290721750 396470957 /nfs/dbraw/zinc/47/09/57/396470957.db2.gz ZAKSUSSRDSSNPP-JTQLQIEISA-N 0 3 307.354 0.867 20 5 DCBDHN C[C@@H](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[NH+](C)C ZINC000594817958 396521019 /nfs/dbraw/zinc/52/10/19/396521019.db2.gz WPVXUVRCCVNGPH-VIFPVBQESA-N 0 3 302.356 0.608 20 5 DCBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCCNCC1 ZINC000581359234 396547567 /nfs/dbraw/zinc/54/75/67/396547567.db2.gz CNWCLSNRSVKYJL-UHFFFAOYSA-N 0 3 308.338 0.979 20 5 DCBDHN CN1CC[C@@]2(CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000292572620 396557251 /nfs/dbraw/zinc/55/72/51/396557251.db2.gz LJBSLXURLBCKEU-CQSZACIVSA-N 0 3 322.369 0.529 20 5 DCBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586797794 396666285 /nfs/dbraw/zinc/66/62/85/396666285.db2.gz DEAAAVCQGVPYML-SNVBAGLBSA-N 0 3 309.326 0.301 20 5 DCBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588861851 396695950 /nfs/dbraw/zinc/69/59/50/396695950.db2.gz VSDNUKXGBFMSFU-KBPBESRZSA-N 0 3 305.334 0.876 20 5 DCBDHN O=[N+]([O-])c1ccc(N2CCNCC2)c(F)c1N1CCOCC1 ZINC000596016307 396708758 /nfs/dbraw/zinc/70/87/58/396708758.db2.gz PNQAOESQSSHXHC-UHFFFAOYSA-N 0 3 310.329 0.980 20 5 DCBDHN NC(=O)c1ccnc(N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000589573799 396718476 /nfs/dbraw/zinc/71/84/76/396718476.db2.gz KKGNXKWNOGWGOQ-JTQLQIEISA-N 0 3 305.338 0.985 20 5 DCBDHN CC(C)[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315728918 396791004 /nfs/dbraw/zinc/79/10/04/396791004.db2.gz JSCKYYOUEBQAIK-CYBMUJFWSA-N 0 3 307.354 0.622 20 5 DCBDHN NC(=O)c1cc(N[C@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000596250991 396743846 /nfs/dbraw/zinc/74/38/46/396743846.db2.gz WVIOOICAZFUFRG-LBPRGKRZSA-N 0 3 322.365 0.952 20 5 DCBDHN C[C@@H](c1cnn(C)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305858559 396754532 /nfs/dbraw/zinc/75/45/32/396754532.db2.gz WUFKOHLZLSNBEM-GWCFXTLKSA-N 0 3 308.342 0.579 20 5 DCBDHN COC(=O)[C@@H]1CCC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000590751866 396832982 /nfs/dbraw/zinc/83/29/82/396832982.db2.gz JITRDCQLYSKOSY-NEPJUHHUSA-N 0 3 309.322 0.688 20 5 DCBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1COCCN1 ZINC000600679089 396915668 /nfs/dbraw/zinc/91/56/68/396915668.db2.gz ZIIDPZGBCBGABM-AAEUAGOBSA-N 0 3 322.365 0.890 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597653791 397046084 /nfs/dbraw/zinc/04/60/84/397046084.db2.gz MJMYOCCOADRUDN-SNVBAGLBSA-N 0 3 307.306 0.993 20 5 DCBDHN CN(C)CCCS(=O)(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000601322018 397055499 /nfs/dbraw/zinc/05/54/99/397055499.db2.gz XFYQEWJJNIKKEC-UHFFFAOYSA-N 0 3 301.368 0.966 20 5 DCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000598868400 397302471 /nfs/dbraw/zinc/30/24/71/397302471.db2.gz SUABZXZDLDCUFW-UHFFFAOYSA-N 0 3 322.365 0.687 20 5 DCBDHN CN(CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])C1CC1 ZINC000598589510 397252169 /nfs/dbraw/zinc/25/21/69/397252169.db2.gz SIGQHNGOXNFTCX-UHFFFAOYSA-N 0 3 322.369 0.728 20 5 DCBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC(CN2CCN(C)CC2)C1 ZINC000599108260 397338938 /nfs/dbraw/zinc/33/89/38/397338938.db2.gz MMOPHPWTIXVKON-UHFFFAOYSA-N 0 3 322.413 0.803 20 5 DCBDHN CC(C)[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000488023607 397483911 /nfs/dbraw/zinc/48/39/11/397483911.db2.gz IWAMTZHVTMPGRM-KBPBESRZSA-N 0 3 311.386 0.424 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](CO)COC(C)C ZINC000602818518 397494579 /nfs/dbraw/zinc/49/45/79/397494579.db2.gz FJVBALUOUFCVRJ-LBPRGKRZSA-N 0 3 300.359 0.817 20 5 DCBDHN CCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])c(C)cc2=O)CC1 ZINC000128620145 158282790 /nfs/dbraw/zinc/28/27/90/158282790.db2.gz JKZPDHBVXHIOGT-UHFFFAOYSA-N 0 3 322.365 0.665 20 5 DCBDHN O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@]1(F)CCNC1 ZINC000169193451 158373249 /nfs/dbraw/zinc/37/32/49/158373249.db2.gz VXORHFVHXOVXPA-IINYFYTJSA-N 0 3 323.328 0.704 20 5 DCBDHN COc1c(F)cc(S(=O)(=O)[N-]CCCC[NH3+])cc1[N+](=O)[O-] ZINC000193316033 158582478 /nfs/dbraw/zinc/58/24/78/158582478.db2.gz WMLPUYUSPGWOCL-UHFFFAOYSA-N 0 3 321.330 0.760 20 5 DCBDHN CNC(=O)c1ccc(NCCOCCN(C)C)c([N+](=O)[O-])c1 ZINC000318776749 159007126 /nfs/dbraw/zinc/00/71/26/159007126.db2.gz CSLILMXCQPAKBI-UHFFFAOYSA-N 0 3 310.354 0.945 20 5 DCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000323071827 159012277 /nfs/dbraw/zinc/01/22/77/159012277.db2.gz ONDBGLYCFMFMQU-ONGXEEELSA-N 0 3 321.337 0.165 20 5 DCBDHN CN(C[C@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)C1CC1 ZINC000324249445 159013214 /nfs/dbraw/zinc/01/32/14/159013214.db2.gz KBKOUSATVPCJRR-LBPRGKRZSA-N 0 3 318.333 0.760 20 5 DCBDHN CN(C)[C@@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCSC1 ZINC000267111689 287130407 /nfs/dbraw/zinc/13/04/07/287130407.db2.gz NPLSFJLSZLXQDO-GFCCVEGCSA-N 0 3 313.383 0.345 20 5 DCBDHN COC(=O)CC[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000342749030 415278695 /nfs/dbraw/zinc/27/86/95/415278695.db2.gz KQEFTZZHBYYQAG-LBPRGKRZSA-N 0 3 324.337 0.403 20 5 DCBDHN Cc1c(NC(=O)CCN(C)[C@H]2COC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000352820523 415339840 /nfs/dbraw/zinc/33/98/40/415339840.db2.gz YXZAFDBSSAJBGB-KBPBESRZSA-N 0 3 323.349 0.923 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](COC(F)F)C2)c1 ZINC000353021375 415409189 /nfs/dbraw/zinc/40/91/89/415409189.db2.gz JTDVFVVYBUUGCW-GXSJLCMTSA-N 0 3 320.296 0.713 20 5 DCBDHN CC(=O)N1CC[C@@H](CN(C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090589671 415530926 /nfs/dbraw/zinc/53/09/26/415530926.db2.gz KXNCJSYCBPEXNV-ZDUSSCGKSA-N 0 3 322.365 0.557 20 5 DCBDHN COc1ccc(OCCN(CCO)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000289925763 415739433 /nfs/dbraw/zinc/73/94/33/415739433.db2.gz UOIATEBNFXLWEQ-LLVKDONJSA-N 0 3 314.338 0.657 20 5 DCBDHN CN(C)CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCCC1 ZINC000344136591 415846395 /nfs/dbraw/zinc/84/63/95/415846395.db2.gz GUPFNCPIFJOKAU-UHFFFAOYSA-N 0 3 324.385 0.909 20 5 DCBDHN CCN1CCN([C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000175212712 416098509 /nfs/dbraw/zinc/09/85/09/416098509.db2.gz DWTLZPBYTNAJNB-AWEZNQCLSA-N 0 3 322.413 0.503 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000358058009 416180395 /nfs/dbraw/zinc/18/03/95/416180395.db2.gz PXNHHPKYRWXBCY-AWEZNQCLSA-N 0 3 308.338 0.190 20 5 DCBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331460691 416316507 /nfs/dbraw/zinc/31/65/07/416316507.db2.gz YWXFPHCGXVSAEG-QWRGUYRKSA-N 0 3 308.342 0.272 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C1CNC1 ZINC000415731186 416352366 /nfs/dbraw/zinc/35/23/66/416352366.db2.gz FHENHVURDZMNOS-UHFFFAOYSA-N 0 3 306.322 0.580 20 5 DCBDHN COc1cc(C(=O)Nc2nn(C)c(C)c2CN)ccc1[N+](=O)[O-] ZINC000595959110 416573163 /nfs/dbraw/zinc/57/31/63/416573163.db2.gz BDFYVGYNIVYLPD-UHFFFAOYSA-N 0 3 319.321 1.356 20 5 DCBDHN Nc1nccc(C(=O)NC[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000539415649 416579416 /nfs/dbraw/zinc/57/94/16/416579416.db2.gz JKZSLGITHBSGTE-SECBINFHSA-N 0 3 305.338 0.786 20 5 DCBDHN COC(=O)COc1ccc(CN[C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424202486 416625614 /nfs/dbraw/zinc/62/56/14/416625614.db2.gz PRQQJYKVKAGUQZ-ZYHUDNBSSA-N 0 3 310.306 0.760 20 5 DCBDHN [NH3+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440359015 416632794 /nfs/dbraw/zinc/63/27/94/416632794.db2.gz QATMQJXVYKDCDB-UHFFFAOYSA-N 0 3 324.156 0.594 20 5 DCBDHN C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000566687446 417052290 /nfs/dbraw/zinc/05/22/90/417052290.db2.gz KAZQTWRCVPOVLO-VIFPVBQESA-N 0 3 305.338 0.952 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN(CCO)[C@@H]2CCCSC2)n1 ZINC000433180437 417236345 /nfs/dbraw/zinc/23/63/45/417236345.db2.gz JJUKWFBUAXEHCT-LLVKDONJSA-N 0 3 300.384 0.981 20 5 DCBDHN O=C(NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000570564660 417369714 /nfs/dbraw/zinc/36/97/14/417369714.db2.gz ZBFDSNGJQDUOLJ-LBPRGKRZSA-N 0 3 323.349 0.450 20 5 DCBDHN CN1CC[C@]2(CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)C1 ZINC000572854684 417463883 /nfs/dbraw/zinc/46/38/83/417463883.db2.gz KDVNYOWKTMBPNG-AWEZNQCLSA-N 0 3 305.338 0.740 20 5 DCBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCNC ZINC000440837932 287409241 /nfs/dbraw/zinc/40/92/41/287409241.db2.gz ZMRPGBJYKVUKBZ-UHFFFAOYSA-N 0 3 301.368 0.997 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412252877 262184124 /nfs/dbraw/zinc/18/41/24/262184124.db2.gz QWQFGHVARHGWIS-LZWOXQAQSA-N 0 3 319.361 0.881 20 5 DCBDHN Cn1cc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000424229918 262486072 /nfs/dbraw/zinc/48/60/72/262486072.db2.gz DQGFOFZLZINETO-UONOGXRCSA-N 0 3 315.333 0.895 20 5 DCBDHN Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])n3C)C[C@H]2N)cn1 ZINC000424245165 262487889 /nfs/dbraw/zinc/48/78/89/262487889.db2.gz UEXTWZNFCRCTOA-WDEREUQCSA-N 0 3 318.337 0.234 20 5 DCBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCCN1CCCO ZINC000420639464 271374190 /nfs/dbraw/zinc/37/41/90/271374190.db2.gz QDWSHPHFPCPEJW-LLVKDONJSA-N 0 3 322.365 0.952 20 5 DCBDHN O=C(COC1CNC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000429739618 271457430 /nfs/dbraw/zinc/45/74/30/271457430.db2.gz CYUYCZHOVSFKEA-UHFFFAOYSA-N 0 3 320.349 0.232 20 5 DCBDHN COC(=O)NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000496568434 272325659 /nfs/dbraw/zinc/32/56/59/272325659.db2.gz VEZALSXPPFWBAH-LLVKDONJSA-N 0 3 313.310 0.280 20 5 DCBDHN Cc1c(C(=O)N[C@H](C)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000560565465 288511520 /nfs/dbraw/zinc/51/15/20/288511520.db2.gz ZHFVNOUPNXBZNQ-LLVKDONJSA-N 0 3 322.365 0.699 20 5 DCBDHN O=C(NC[C@H]1CNCCO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000580064068 332923439 /nfs/dbraw/zinc/92/34/39/332923439.db2.gz JMESCLAKJPTEPI-MRVPVSSYSA-N 0 3 309.278 0.042 20 5 DCBDHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000583084164 337237518 /nfs/dbraw/zinc/23/75/18/337237518.db2.gz ZLYVHNVYXRJNJV-UHFFFAOYSA-N 0 3 302.356 0.786 20 5 DCBDHN C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])CN1CCN(C)CC1 ZINC001565609613 1159852697 /nfs/dbraw/zinc/85/26/97/1159852697.db2.gz UWZOZMHOFHKZMB-ZDUSSCGKSA-N 0 3 314.430 0.822 20 5 DCBDHN CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821240285 606731206 /nfs/dbraw/zinc/73/12/06/606731206.db2.gz FYOUBBLLEFINDW-KCJUWKMLSA-N 0 3 318.341 0.922 20 5 DCBDHN CC[N@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821240285 606731207 /nfs/dbraw/zinc/73/12/07/606731207.db2.gz FYOUBBLLEFINDW-KCJUWKMLSA-N 0 3 318.341 0.922 20 5 DCBDHN CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821240285 606731208 /nfs/dbraw/zinc/73/12/08/606731208.db2.gz FYOUBBLLEFINDW-KCJUWKMLSA-N 0 3 318.341 0.922 20 5 DCBDHN CC[N@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821240285 606731209 /nfs/dbraw/zinc/73/12/09/606731209.db2.gz FYOUBBLLEFINDW-KCJUWKMLSA-N 0 3 318.341 0.922 20 5 DCBDHN O=C(N[C@H]1C[C@H](NCc2coc(C3CC3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140115 659672126 /nfs/dbraw/zinc/67/21/26/659672126.db2.gz ZGLOSXYLCFVOJU-FPQZTECRSA-N 0 3 320.349 0.954 20 5 DCBDHN Cc1nn(C)c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000726163826 661652173 /nfs/dbraw/zinc/65/21/73/661652173.db2.gz OEKRXXLYOAQOKD-QWRGUYRKSA-N 0 3 323.353 0.230 20 5 DCBDHN CC[C@H](CO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000727057717 662106897 /nfs/dbraw/zinc/10/68/97/662106897.db2.gz FSDAASXVYDCQQM-MRVPVSSYSA-N 0 3 311.294 0.623 20 5 DCBDHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1CC[N+](=O)[O-] ZINC000899880850 663196887 /nfs/dbraw/zinc/19/68/87/663196887.db2.gz AWZIQHNZJAZQGS-HNNXBMFYSA-N 0 3 318.333 0.460 20 5 DCBDHN Cc1ccncc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662177 665273657 /nfs/dbraw/zinc/27/36/57/665273657.db2.gz WDSHZFXHQFBICL-ZIAGYGMSSA-N 0 3 304.350 0.603 20 5 DCBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2cncn2C)CC1 ZINC001005379752 666839657 /nfs/dbraw/zinc/83/96/57/666839657.db2.gz VISHAPZSJZVWCL-ZIAGYGMSSA-N 0 3 321.381 0.508 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889779259 667996663 /nfs/dbraw/zinc/99/66/63/667996663.db2.gz DJCGPFMQECHKSA-STQMWFEESA-N 0 3 322.365 0.605 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874843077 668225956 /nfs/dbraw/zinc/22/59/56/668225956.db2.gz LOXJSOWMYJTXKB-NWDGAFQWSA-N 0 3 307.354 0.795 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000762721271 668374536 /nfs/dbraw/zinc/37/45/36/668374536.db2.gz KAZDZNRXAFHICF-CYBMUJFWSA-N 0 3 324.293 0.299 20 5 DCBDHN Cc1c(CN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000877719366 668641584 /nfs/dbraw/zinc/64/15/84/668641584.db2.gz YXHKKHODQKOUMP-TXEJJXNPSA-N 0 3 303.318 0.950 20 5 DCBDHN COCCN1[C@H](C)CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000129029161 669347253 /nfs/dbraw/zinc/34/72/53/669347253.db2.gz IWSQZUVIWNDNRP-BETUJISGSA-N 0 3 311.386 0.832 20 5 DCBDHN COCCN1[C@H](C)CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000129713620 669538010 /nfs/dbraw/zinc/53/80/10/669538010.db2.gz BQEVQZDWVVRWHQ-BETUJISGSA-N 0 3 311.386 0.832 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000808160479 670393379 /nfs/dbraw/zinc/39/33/79/670393379.db2.gz VONZQLCEHSGYAY-NWDGAFQWSA-N 0 3 320.349 0.458 20 5 DCBDHN Nc1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC000808218502 670399317 /nfs/dbraw/zinc/39/93/17/670399317.db2.gz IUJUSUXJDLLSOT-LLVKDONJSA-N 0 3 308.338 0.364 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000854466162 670571813 /nfs/dbraw/zinc/57/18/13/670571813.db2.gz XNCAMJZSBMYNSP-SNVBAGLBSA-N 0 3 317.292 0.725 20 5 DCBDHN C[NH+](C)C[C@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000854466162 670571814 /nfs/dbraw/zinc/57/18/14/670571814.db2.gz XNCAMJZSBMYNSP-SNVBAGLBSA-N 0 3 317.292 0.725 20 5 DCBDHN CC(COC(=O)CN1CCN(c2ccccn2)CC1)[N+](=O)[O-] ZINC000813105987 670612094 /nfs/dbraw/zinc/61/20/94/670612094.db2.gz XCGPFUIZQLDGJY-LBPRGKRZSA-N 0 3 308.338 0.412 20 5 DCBDHN O=C1CCC2=C(CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)N1 ZINC000852298488 671115260 /nfs/dbraw/zinc/11/52/60/671115260.db2.gz BPAQDVQUEHYSEO-LBPRGKRZSA-N 0 3 321.337 0.022 20 5 DCBDHN C[C@]1(CO)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000859831715 671148802 /nfs/dbraw/zinc/14/88/02/671148802.db2.gz ACYHAPQVUHOMPP-HRCADAONSA-N 0 3 324.377 0.941 20 5 DCBDHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777766 671237583 /nfs/dbraw/zinc/23/75/83/671237583.db2.gz VSWVGTKFQRFLEU-MRVPVSSYSA-N 0 3 317.342 0.004 20 5 DCBDHN CC(COC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)[N+](=O)[O-] ZINC000860777018 671237793 /nfs/dbraw/zinc/23/77/93/671237793.db2.gz JFOGGCPGEOCZOX-WGAJWPLOSA-N 0 3 303.292 0.905 20 5 DCBDHN C[C@H](CNC(=O)NC[C@@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001576023559 1164214544 /nfs/dbraw/zinc/21/45/44/1164214544.db2.gz QGVRGNZWDLQLAC-NEPJUHHUSA-N 0 3 322.365 0.986 20 5 DCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCNC[C@@H]1F ZINC001580582822 1165645045 /nfs/dbraw/zinc/64/50/45/1165645045.db2.gz YNLSNMVBUVILSI-NWDGAFQWSA-N 0 3 321.312 0.761 20 5 DCBDHN [NH3+][C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC[C@H]1F ZINC001592752196 1167631467 /nfs/dbraw/zinc/63/14/67/1167631467.db2.gz SCZRYIXAKKIBAA-RKDXNWHRSA-N 0 3 307.289 0.650 20 5 DCBDHN [NH3+][C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC[C@H]1F ZINC001592752196 1167631472 /nfs/dbraw/zinc/63/14/72/1167631472.db2.gz SCZRYIXAKKIBAA-RKDXNWHRSA-N 0 3 307.289 0.650 20 5 DCBDHN C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001609265928 1170904102 /nfs/dbraw/zinc/90/41/02/1170904102.db2.gz LIFHFTRKTDVKAS-UHFFFAOYSA-N 0 3 304.314 0.676 20 5 DCBDHN C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001609265928 1170904105 /nfs/dbraw/zinc/90/41/05/1170904105.db2.gz LIFHFTRKTDVKAS-UHFFFAOYSA-N 0 3 304.314 0.676 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001635983112 1171720183 /nfs/dbraw/zinc/72/01/83/1171720183.db2.gz XMLMAKALZLTYFP-VXGBXAGGSA-N 0 3 320.349 0.458 20 5 DCBDHN CNC(=O)C1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001644528348 1172010192 /nfs/dbraw/zinc/01/01/92/1172010192.db2.gz DADBXUKGHACMMU-ZDUSSCGKSA-N 0 3 323.349 0.513 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1 ZINC001647773070 1173055671 /nfs/dbraw/zinc/05/56/71/1173055671.db2.gz MLEWSPBZSZRJQG-SNVBAGLBSA-N 0 3 321.333 0.806 20 5 DCBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001654229438 1173802787 /nfs/dbraw/zinc/80/27/87/1173802787.db2.gz MXJISZGIWDMXEJ-IEBDPFPHSA-N 0 3 306.322 0.174 20 5 DCBDHN CCOC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001654956916 1173814053 /nfs/dbraw/zinc/81/40/53/1173814053.db2.gz XUVJQOMPMAWMHH-PWSUYJOCSA-N 0 3 312.326 0.037 20 5 DCBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@@H](CO)[C@H](CCO)C1 ZINC001655898379 1173830368 /nfs/dbraw/zinc/83/03/68/1173830368.db2.gz IJFZZGWFFJOKFI-OLZOCXBDSA-N 0 3 310.350 0.896 20 5 DCBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)C(C)(F)F ZINC001669995724 1174968167 /nfs/dbraw/zinc/96/81/67/1174968167.db2.gz YKHMGWAWDQGSGP-UHFFFAOYSA-N 0 3 319.312 0.922 20 5 DCBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cnco1 ZINC001723088160 1184261354 /nfs/dbraw/zinc/26/13/54/1184261354.db2.gz ZKPFJKCCJURDKF-UHFFFAOYSA-N 0 3 322.325 0.568 20 5 DCBDHN Cc1cc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)on1 ZINC001724785003 1184556917 /nfs/dbraw/zinc/55/69/17/1184556917.db2.gz GOEDFNDAOLEOCO-VXGBXAGGSA-N 0 3 308.338 0.777 20 5 DCBDHN C[C@H](NC(=O)CN)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212020716 749743201 /nfs/dbraw/zinc/74/32/01/749743201.db2.gz VUSLPENASXHAEA-YFKPBYRVSA-N 0 3 310.245 0.315 20 5 DCBDHN CCCc1nc(C)c(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001126932391 750144007 /nfs/dbraw/zinc/14/40/07/750144007.db2.gz VQCDJLDWSURCAZ-GHMZBOCLSA-N 0 3 310.354 0.807 20 5 DCBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCN[C@H](CCO)C1 ZINC001579992950 1165464258 /nfs/dbraw/zinc/46/42/58/1165464258.db2.gz ORPRBXDUYPVEIB-SSDOTTSWSA-N 0 3 323.275 0.508 20 5 DCBDHN CN(c1cnc2ccc([N+](=O)[O-])cc2n1)S(=O)(=O)CCN ZINC001156231842 760498098 /nfs/dbraw/zinc/49/80/98/760498098.db2.gz OUUKWHPPVREYTC-UHFFFAOYSA-N 0 3 311.323 0.263 20 5 DCBDHN C[C@H](N)c1ccn(-c2ncnc(N3CCOCC3)c2[N+](=O)[O-])n1 ZINC001169230408 760607509 /nfs/dbraw/zinc/60/75/09/760607509.db2.gz REUFCOCRPJAHPR-VIFPVBQESA-N 0 3 319.325 0.427 20 5 DCBDHN CCN1CCN(CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001116423327 765869886 /nfs/dbraw/zinc/86/98/86/765869886.db2.gz YFXHGELISHIYTJ-UHFFFAOYSA-N 0 3 324.385 0.086 20 5 DCBDHN O=C(Cc1ncc[nH]1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001135754667 766081266 /nfs/dbraw/zinc/08/12/66/766081266.db2.gz GPQIUOCEWKTTMI-UHFFFAOYSA-N 0 3 303.322 0.766 20 5 DCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC001136492173 766309931 /nfs/dbraw/zinc/30/99/31/766309931.db2.gz SPVSKSZFCZCVPX-YPMHNXCESA-N 0 3 320.349 0.891 20 5 DCBDHN CN1CCN(C2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC001119049674 766519475 /nfs/dbraw/zinc/51/94/75/766519475.db2.gz UDDNMBNRWUVWRB-UHFFFAOYSA-N 0 3 322.369 0.170 20 5 DCBDHN O=C1N[C@H](C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CO1 ZINC001176664461 770145409 /nfs/dbraw/zinc/14/54/09/770145409.db2.gz LHTZXJVZWQPJTM-LBPRGKRZSA-N 0 3 309.326 0.612 20 5 DCBDHN COC(=O)c1nc(Cl)nc(-n2cnc(CN)c2)c1[N+](=O)[O-] ZINC001154906267 770335496 /nfs/dbraw/zinc/33/54/96/770335496.db2.gz FUKFNQUXYYCUDI-UHFFFAOYSA-N 0 3 312.673 0.469 20 5 DCBDHN COc1nc(NCc2nnn3c2CNCCC3)ncc1[N+](=O)[O-] ZINC001155390108 770487610 /nfs/dbraw/zinc/48/76/10/770487610.db2.gz NMVDUUFFLOTSBE-UHFFFAOYSA-N 0 3 320.313 0.090 20 5 DCBDHN CCN(C)[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001181839734 771357709 /nfs/dbraw/zinc/35/77/09/771357709.db2.gz OOEWTBHZCXJXGE-LLVKDONJSA-N 0 3 308.338 0.309 20 5 DCBDHN COc1ncnc(N2CCO[C@H](CN3CCCC3)C2)c1[N+](=O)[O-] ZINC001158309740 771757737 /nfs/dbraw/zinc/75/77/37/771757737.db2.gz SFBCCILTPYGXDX-LLVKDONJSA-N 0 3 323.353 0.694 20 5 DCBDHN Cc1nc(N2CCO[C@H](CN3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158314899 771758257 /nfs/dbraw/zinc/75/82/57/771758257.db2.gz NPQFPHRMARIPSL-GFCCVEGCSA-N 0 3 307.354 0.994 20 5 DCBDHN CCOC(=O)c1ccnc(N[C@@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159502459 771920889 /nfs/dbraw/zinc/92/08/89/771920889.db2.gz NBKVQYAXBKNULU-ONGXEEELSA-N 0 3 324.337 0.955 20 5 DCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CNCCO2)n1 ZINC001159502591 771921070 /nfs/dbraw/zinc/92/10/70/771921070.db2.gz NTVHJNABUDMNPL-XVKPBYJWSA-N 0 3 324.341 0.440 20 5 DCBDHN CCOC(=O)c1ccnc(-n2cnc3c2CNCC3)c1[N+](=O)[O-] ZINC001164317033 772645538 /nfs/dbraw/zinc/64/55/38/772645538.db2.gz MMISENAIANDQBL-UHFFFAOYSA-N 0 3 317.305 0.998 20 5 DCBDHN CCN(C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001214102563 773925877 /nfs/dbraw/zinc/92/58/77/773925877.db2.gz DNNCROPRQOQQEK-NSHDSACASA-N 0 3 314.367 0.705 20 5 DCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC001320223053 945774447 /nfs/dbraw/zinc/77/44/47/945774447.db2.gz RFRNIQRHSZINGL-CQSZACIVSA-N 0 3 308.338 0.433 20 5 DCBDHN CCN1CCN([C@H](C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001320398860 945858241 /nfs/dbraw/zinc/85/82/41/945858241.db2.gz MYJJKDFAKIETHM-LLVKDONJSA-N 0 3 324.385 0.084 20 5 DCBDHN CN(CCCNC(=O)CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001490169352 950293263 /nfs/dbraw/zinc/29/32/63/950293263.db2.gz MJKILXHVWUIMHX-UHFFFAOYSA-N 0 3 308.338 0.408 20 5 DCBDHN CN1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001337480432 952864210 /nfs/dbraw/zinc/86/42/10/952864210.db2.gz LXYPSGKJRZTWLH-NSHDSACASA-N 0 3 308.338 0.357 20 5 DCBDHN CC(C)CN1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001339514204 953100415 /nfs/dbraw/zinc/10/04/15/953100415.db2.gz FJXLIQJGNZTCGL-UHFFFAOYSA-N 0 3 310.402 0.802 20 5 DCBDHN CN(CC(=O)N[C@H]1COC2(CNC2)C1)c1ccccc1[N+](=O)[O-] ZINC001342125482 953270971 /nfs/dbraw/zinc/27/09/71/953270971.db2.gz JMHYGRQMNJPJRS-LLVKDONJSA-N 0 3 320.349 0.278 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@H]1CCN1C1CCOCC1 ZINC001344369745 953475366 /nfs/dbraw/zinc/47/53/66/953475366.db2.gz YZRFAMPLYHCTDS-GFCCVEGCSA-N 0 3 324.337 0.588 20 5 DCBDHN O=[N+]([O-])c1c(N2CC(N[C@@H]3CCOC3)C2)nc2ccccn21 ZINC001472888687 956557460 /nfs/dbraw/zinc/55/74/60/956557460.db2.gz LJLBAJJMFDGPBO-SNVBAGLBSA-N 0 3 303.322 0.810 20 5 DCBDHN C[C@@H](CNC(=O)[C@H]1CNCCN1C)c1ccccc1[N+](=O)[O-] ZINC001355316828 956633652 /nfs/dbraw/zinc/63/36/52/956633652.db2.gz SFBGVSFTCKTQFG-SMDDNHRTSA-N 0 3 306.366 0.718 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(C)CCO ZINC001658081013 1173918591 /nfs/dbraw/zinc/91/85/91/1173918591.db2.gz OKVRNGLANHMXBJ-UHFFFAOYSA-N 0 3 312.326 0.649 20 5 DCBDHN CN(C)C[C@@](C)(O)CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000281172572 216129421 /nfs/dbraw/zinc/12/94/21/216129421.db2.gz MQEBYDSFXHHDOC-AWEZNQCLSA-N 0 3 321.337 0.968 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H](O)C(F)F ZINC000566231450 291285212 /nfs/dbraw/zinc/28/52/12/291285212.db2.gz CADZPPMDXRXATE-WPRPVWTQSA-N 0 3 306.265 0.550 20 5 DCBDHN COc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000275452072 212341013 /nfs/dbraw/zinc/34/10/13/212341013.db2.gz STILALYZDJWCPP-UHFFFAOYSA-N 0 3 324.337 0.562 20 5 DCBDHN C[C@@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCN1 ZINC000420332155 240023441 /nfs/dbraw/zinc/02/34/41/240023441.db2.gz GENUTFRCWMJXKN-SECBINFHSA-N 0 3 322.321 0.556 20 5 DCBDHN CC[C@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567160557 291340024 /nfs/dbraw/zinc/34/00/24/291340024.db2.gz OCPSRQVVRKTPMO-NSHDSACASA-N 0 3 317.367 0.234 20 5 DCBDHN CN1CCC[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569332509 291473430 /nfs/dbraw/zinc/47/34/30/291473430.db2.gz UFHVQLRRRLUNHH-NEPJUHHUSA-N 0 3 323.349 0.545 20 5 DCBDHN COCCN(CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272986126 210366914 /nfs/dbraw/zinc/36/69/14/210366914.db2.gz DRRHHHYFDMSHJI-LBPRGKRZSA-N 0 3 314.338 0.275 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000347610321 254171426 /nfs/dbraw/zinc/17/14/26/254171426.db2.gz WYKXWBGXAVRINR-NSHDSACASA-N 0 3 307.354 0.843 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@]2(C)CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000230736693 395881606 /nfs/dbraw/zinc/88/16/06/395881606.db2.gz UICSVSZBZQFBDE-GFCCVEGCSA-N 0 3 315.351 0.634 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000247451000 395974469 /nfs/dbraw/zinc/97/44/69/395974469.db2.gz QFTLVHCJHFJSPI-PWSUYJOCSA-N 0 3 309.370 0.898 20 5 DCBDHN COCCN(C)CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063802478 395982787 /nfs/dbraw/zinc/98/27/87/395982787.db2.gz RDHCTPQJAMFSCG-UHFFFAOYSA-N 0 3 313.358 0.266 20 5 DCBDHN C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(C)C ZINC000067136502 396021328 /nfs/dbraw/zinc/02/13/28/396021328.db2.gz KZSUMPYONMTNCC-SNVBAGLBSA-N 0 3 318.337 0.855 20 5 DCBDHN COCCN(CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264276274 396266378 /nfs/dbraw/zinc/26/63/78/396266378.db2.gz NRZGKBKMJLZEJH-CYBMUJFWSA-N 0 3 314.338 0.275 20 5 DCBDHN CCN(CCO)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000183918056 396277402 /nfs/dbraw/zinc/27/74/02/396277402.db2.gz OXWZWLXJQHSMPP-UHFFFAOYSA-N 0 3 324.381 0.461 20 5 DCBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184838007 396307598 /nfs/dbraw/zinc/30/75/98/396307598.db2.gz WJJFLGPVTOWBSL-UHFFFAOYSA-N 0 3 311.342 0.270 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](n3cccn3)C2)c1 ZINC000291755351 396510902 /nfs/dbraw/zinc/51/09/02/396510902.db2.gz KVWPBEBTOSKTCE-WCQYABFASA-N 0 3 306.326 0.296 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCNC2(CCCCC2)C1 ZINC000594628714 396491713 /nfs/dbraw/zinc/49/17/13/396491713.db2.gz COOSTWGSRNNNPB-UHFFFAOYSA-N 0 3 307.354 0.926 20 5 DCBDHN O=C1CC[C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]2N1 ZINC000595729888 396652846 /nfs/dbraw/zinc/65/28/46/396652846.db2.gz WEXZYUTZODICTK-AAEUAGOBSA-N 0 3 320.349 0.357 20 5 DCBDHN N[C@@H]1C[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000582431999 396610918 /nfs/dbraw/zinc/61/09/18/396610918.db2.gz YOGJJNBUTRTLJS-WCBMZHEXSA-N 0 3 310.741 0.996 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN(CCN2CCOCC2)CC2CC2)n1 ZINC000595806037 396665287 /nfs/dbraw/zinc/66/52/87/396665287.db2.gz DORNZRSRRIVFRC-UHFFFAOYSA-N 0 3 323.397 0.836 20 5 DCBDHN COc1ccc(CC(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000562981290 396690093 /nfs/dbraw/zinc/69/00/93/396690093.db2.gz AKMCYYKODIPDMG-LLVKDONJSA-N 0 3 309.322 0.251 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000588867077 396696694 /nfs/dbraw/zinc/69/66/94/396696694.db2.gz WERFPEOJCLHSKM-SNVBAGLBSA-N 0 3 315.757 0.829 20 5 DCBDHN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596121145 396720247 /nfs/dbraw/zinc/72/02/47/396720247.db2.gz LFDYJCDTNBUSRM-LLVKDONJSA-N 0 3 308.338 0.826 20 5 DCBDHN COC1CCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000610573012 396731409 /nfs/dbraw/zinc/73/14/09/396731409.db2.gz JJQAQWFLAAXZEU-UHFFFAOYSA-N 0 3 311.342 0.018 20 5 DCBDHN Nc1ccc(N2CCN(C[C@H]3CCOC3)CC2)nc1[N+](=O)[O-] ZINC000590584846 396803643 /nfs/dbraw/zinc/80/36/43/396803643.db2.gz OCWYCABMDVUKAJ-LLVKDONJSA-N 0 3 307.354 0.731 20 5 DCBDHN CCN(C)C[C@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000319555144 396811480 /nfs/dbraw/zinc/81/14/80/396811480.db2.gz OIHNFLXYZGWDSY-NSHDSACASA-N 0 3 306.322 0.617 20 5 DCBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1COCCN1 ZINC000600678705 396915475 /nfs/dbraw/zinc/91/54/75/396915475.db2.gz SSSLSEGYSWQPDQ-YPMHNXCESA-N 0 3 322.365 0.890 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](N3CCOCC3)C2)n1 ZINC000571698605 396979806 /nfs/dbraw/zinc/97/98/06/396979806.db2.gz UDCSMDPSJGOEMP-CYBMUJFWSA-N 0 3 309.370 0.588 20 5 DCBDHN NC[C@H]1CCCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000571778545 396987502 /nfs/dbraw/zinc/98/75/02/396987502.db2.gz WDKRYQZVFGKUOD-CYBMUJFWSA-N 0 3 320.349 0.551 20 5 DCBDHN CC1(C)CN[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000591686503 396977592 /nfs/dbraw/zinc/97/75/92/396977592.db2.gz NPMNWYRGVMJWTC-GFCCVEGCSA-N 0 3 307.354 0.953 20 5 DCBDHN CCc1n[nH]c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377593231 397108015 /nfs/dbraw/zinc/10/80/15/397108015.db2.gz MJCXTRYGUJTCBQ-ZJUUUORDSA-N 0 3 323.353 0.473 20 5 DCBDHN O=C(Nc1nc(N2CCNCC2)n[nH]1)c1csc([N+](=O)[O-])c1 ZINC000592303025 397147034 /nfs/dbraw/zinc/14/70/34/397147034.db2.gz ANKIDJYEHOVTMC-UHFFFAOYSA-N 0 3 323.338 0.436 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H](O)C(F)(F)F)c1 ZINC000592432085 397176974 /nfs/dbraw/zinc/17/69/74/397176974.db2.gz LGKUYLYFXWHDEJ-MWLCHTKSSA-N 0 3 324.255 0.847 20 5 DCBDHN CN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](CN)C1 ZINC000573962927 397223010 /nfs/dbraw/zinc/22/30/10/397223010.db2.gz PDPWETPTZBWGED-JTQLQIEISA-N 0 3 318.337 0.186 20 5 DCBDHN Cc1cc(N2CC(CN3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000599109339 397340125 /nfs/dbraw/zinc/34/01/25/397340125.db2.gz UQCNQQYJGXXWOK-UHFFFAOYSA-N 0 3 305.382 0.982 20 5 DCBDHN CC(C)(C(=O)N[C@@H](CN)C(F)(F)F)n1cc([N+](=O)[O-])cn1 ZINC000594450730 397554286 /nfs/dbraw/zinc/55/42/86/397554286.db2.gz WQILDBSGESJLFU-ZETCQYMHSA-N 0 3 309.248 0.532 20 5 DCBDHN COc1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000579142395 397529417 /nfs/dbraw/zinc/52/94/17/397529417.db2.gz CLKQWKHKEJOPDK-PSASIEDQSA-N 0 3 324.312 0.491 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000133257650 158317363 /nfs/dbraw/zinc/31/73/63/158317363.db2.gz OZRVNZUSTAMKCW-UHFFFAOYSA-N 0 3 303.340 0.619 20 5 DCBDHN O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@]1(F)CCNC1 ZINC000165539636 158364827 /nfs/dbraw/zinc/36/48/27/158364827.db2.gz YMCOPAOYZQJVQZ-OAHLLOKOSA-N 0 3 322.340 0.945 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cnc2c(c1)CNCC2 ZINC000367364552 159333361 /nfs/dbraw/zinc/33/33/61/159333361.db2.gz FRWHOJXLRYYCCZ-UHFFFAOYSA-N 0 3 302.294 0.471 20 5 DCBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000408380450 160096185 /nfs/dbraw/zinc/09/61/85/160096185.db2.gz ZKAZSZPBPVWQPI-QWRGUYRKSA-N 0 3 308.342 0.129 20 5 DCBDHN CCN1CCN([C@@H]2CCN(Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000332138765 415264921 /nfs/dbraw/zinc/26/49/21/415264921.db2.gz LVKVMMBFFFLAKG-CYBMUJFWSA-N 0 3 322.413 0.540 20 5 DCBDHN O=[N+]([O-])c1ccc(CNCCCn2cc(CO)nn2)c(F)c1 ZINC000353225929 415483854 /nfs/dbraw/zinc/48/38/54/415483854.db2.gz YDEULLILOYFSGR-UHFFFAOYSA-N 0 3 309.301 0.998 20 5 DCBDHN COC(=O)CC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343422479 415593884 /nfs/dbraw/zinc/59/38/84/415593884.db2.gz VDUZYSHHZKGPRO-ZDUSSCGKSA-N 0 3 321.333 0.760 20 5 DCBDHN C[C@H](O)CN(CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289931057 415738925 /nfs/dbraw/zinc/73/89/25/415738925.db2.gz UVGOGMQIQBAONI-WCQYABFASA-N 0 3 314.338 0.010 20 5 DCBDHN CN(C)CCn1nnnc1SCc1c([N+](=O)[O-])ncn1C ZINC000356591994 415957437 /nfs/dbraw/zinc/95/74/37/415957437.db2.gz JPQJJYIBMRUGCG-UHFFFAOYSA-N 0 3 312.359 0.169 20 5 DCBDHN O=C(CCN1[C@@H](CO)CC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000298429363 416007777 /nfs/dbraw/zinc/00/77/77/416007777.db2.gz GIOBHTZLSRLEJL-VXGBXAGGSA-N 0 3 323.349 0.741 20 5 DCBDHN CC(C(=O)NCCNc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000298479695 416010495 /nfs/dbraw/zinc/01/04/95/416010495.db2.gz FQPYQAIRAGTGBP-SECBINFHSA-N 0 3 315.351 0.556 20 5 DCBDHN Cc1c(NC(=O)C(=O)NC[C@@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000298599357 416017594 /nfs/dbraw/zinc/01/75/94/416017594.db2.gz LRBIKUCXWUAEBJ-SECBINFHSA-N 0 3 308.338 0.908 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(O)(C(F)F)CC2)c1 ZINC000331137324 416272279 /nfs/dbraw/zinc/27/22/79/416272279.db2.gz JEDXAKBGXJNDDT-SNVBAGLBSA-N 0 3 320.296 0.244 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CNCCC1(F)F ZINC000423698530 416542599 /nfs/dbraw/zinc/54/25/99/416542599.db2.gz NKMWRCUMGLRPBS-VIFPVBQESA-N 0 3 300.265 0.904 20 5 DCBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC000423995089 416602675 /nfs/dbraw/zinc/60/26/75/416602675.db2.gz UGXHZZDJBKJBSS-LLVKDONJSA-N 0 3 309.322 0.468 20 5 DCBDHN Nc1nccc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000539415652 416579486 /nfs/dbraw/zinc/57/94/86/416579486.db2.gz JKZSLGITHBSGTE-VIFPVBQESA-N 0 3 305.338 0.786 20 5 DCBDHN C[C@H]1CN(CCCNc2ccc(N)c([N+](=O)[O-])n2)CCCO1 ZINC000596208333 416579779 /nfs/dbraw/zinc/57/97/79/416579779.db2.gz KAFBSUXOOZIELT-NSHDSACASA-N 0 3 309.370 1.485 20 5 DCBDHN Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@H]2N)cn1 ZINC000424232870 416630649 /nfs/dbraw/zinc/63/06/49/416630649.db2.gz IAWATCFHLZBORP-VHSXEESVSA-N 0 3 321.362 0.957 20 5 DCBDHN CN1CCC[C@H](N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000610485221 416656995 /nfs/dbraw/zinc/65/69/95/416656995.db2.gz OQISVUGDCOFIJZ-AWEZNQCLSA-N 0 3 322.413 0.503 20 5 DCBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)Cn1ccnn1 ZINC000514951500 416686211 /nfs/dbraw/zinc/68/62/11/416686211.db2.gz LOUJCLWSGCAFRW-ZWNOBZJWSA-N 0 3 303.322 0.824 20 5 DCBDHN O=C(NC[C@H]1CNCCO1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000516563025 416726042 /nfs/dbraw/zinc/72/60/42/416726042.db2.gz OLIFDUFXWIRDCC-SECBINFHSA-N 0 3 323.305 0.084 20 5 DCBDHN CCN1CCC[C@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000557463443 416734602 /nfs/dbraw/zinc/73/46/02/416734602.db2.gz SLHQDWHTHYEUDX-JTQLQIEISA-N 0 3 307.354 1.246 20 5 DCBDHN CN(C)C[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000517082567 416780006 /nfs/dbraw/zinc/78/00/06/416780006.db2.gz ZOUJCEHIYDIEOZ-GFCCVEGCSA-N 0 3 322.365 0.699 20 5 DCBDHN Cn1cc([C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]2CO)cn1 ZINC000444748279 416866832 /nfs/dbraw/zinc/86/68/32/416866832.db2.gz OWMSCJGKFOFTRW-JSGCOSHPSA-N 0 3 320.353 0.233 20 5 DCBDHN C[C@@H](O)[C@@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519636124 416922396 /nfs/dbraw/zinc/92/23/96/416922396.db2.gz CBHUMYNCVFXBLR-NXEZZACHSA-N 0 3 317.367 0.232 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]C[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000447243988 416973494 /nfs/dbraw/zinc/97/34/94/416973494.db2.gz CDOJZYAEMLPYOZ-MRVPVSSYSA-N 0 3 303.340 0.477 20 5 DCBDHN N[C@@H]1C[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069237 416992910 /nfs/dbraw/zinc/99/29/10/416992910.db2.gz CZCKOANKISPCGO-GXTWGEPZSA-N 0 3 320.349 0.217 20 5 DCBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429789339 416997071 /nfs/dbraw/zinc/99/70/71/416997071.db2.gz RTZLECUVCTTZMV-RYUDHWBXSA-N 0 3 320.349 0.698 20 5 DCBDHN CN(CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C1CC1 ZINC000524274153 417105535 /nfs/dbraw/zinc/10/55/35/417105535.db2.gz AYHDNPYKOFQYHK-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN CNS(=O)(=O)CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449272972 417133030 /nfs/dbraw/zinc/13/30/30/417133030.db2.gz XREOQLUVODWHPG-SNVBAGLBSA-N 0 3 301.368 0.665 20 5 DCBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000570201922 417324747 /nfs/dbraw/zinc/32/47/47/417324747.db2.gz NMAIOLABFIVNSE-JQWIXIFHSA-N 0 3 311.338 0.401 20 5 DCBDHN O=C(NC[C@@H]1CCCN1CCCO)Nc1ccncc1[N+](=O)[O-] ZINC000455032281 417589985 /nfs/dbraw/zinc/58/99/85/417589985.db2.gz BIJOTVDWCHJCBO-NSHDSACASA-N 0 3 323.353 0.380 20 5 DCBDHN CS(=O)(=O)N1CC(CNCc2csc([N+](=O)[O-])c2)C1 ZINC000189699431 261132463 /nfs/dbraw/zinc/13/24/63/261132463.db2.gz HJEBMHBVTVATLW-UHFFFAOYSA-N 0 3 305.381 0.637 20 5 DCBDHN CCN1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356145674 261396803 /nfs/dbraw/zinc/39/68/03/261396803.db2.gz AJSNSOTWQXXUOL-LLVKDONJSA-N 0 3 324.385 0.084 20 5 DCBDHN CN(C)CCN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044362880 270938861 /nfs/dbraw/zinc/93/88/61/270938861.db2.gz YIWJBWOLIYSKBI-UHFFFAOYSA-N 0 3 312.395 0.976 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CO)c2cccc(F)c2)c1 ZINC000359626791 271134015 /nfs/dbraw/zinc/13/40/15/271134015.db2.gz RLWFQHFQHLXNTB-UONOGXRCSA-N 0 3 324.312 0.615 20 5 DCBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)NCCN(C)C ZINC000552081464 288264004 /nfs/dbraw/zinc/26/40/04/288264004.db2.gz JVVMWPSIIPGOJF-MRVPVSSYSA-N 0 3 314.367 0.452 20 5 DCBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000564227829 288732637 /nfs/dbraw/zinc/73/26/37/288732637.db2.gz ROLSMLLLOLKTBE-MNOVXSKESA-N 0 3 305.338 0.355 20 5 DCBDHN N[C@H]1Cc2ccccc2N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000564321129 288735852 /nfs/dbraw/zinc/73/58/52/288735852.db2.gz GCTCOBACUXLEOD-JTQLQIEISA-N 0 3 302.294 0.103 20 5 DCBDHN CN1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000387858635 333181058 /nfs/dbraw/zinc/18/10/58/333181058.db2.gz GTWRYOIZPRXMKZ-GEXIGZQTSA-N 0 3 304.350 0.709 20 5 DCBDHN COc1cc(C(=O)N2CCN(C)C[C@H]2CN)ccc1[N+](=O)[O-] ZINC000388486677 333315352 /nfs/dbraw/zinc/31/53/52/333315352.db2.gz CLTJKCRTMADNGX-LLVKDONJSA-N 0 3 308.338 0.318 20 5 DCBDHN CN(CCc1ccccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266401821 522965180 /nfs/dbraw/zinc/96/51/80/522965180.db2.gz FCTGKRJMXQPPEH-CQSZACIVSA-N 0 3 305.338 0.722 20 5 DCBDHN COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736969242 598896258 /nfs/dbraw/zinc/89/62/58/598896258.db2.gz WABIJTYLFVWEMP-LBPRGKRZSA-N 0 3 307.314 0.551 20 5 DCBDHN COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736969242 598896260 /nfs/dbraw/zinc/89/62/60/598896260.db2.gz WABIJTYLFVWEMP-LBPRGKRZSA-N 0 3 307.314 0.551 20 5 DCBDHN C[C@@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735986714 598500773 /nfs/dbraw/zinc/50/07/73/598500773.db2.gz PMIBXVYFHVRGGR-QMMMGPOBSA-N 0 3 306.330 0.922 20 5 DCBDHN C[C@@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735986714 598500774 /nfs/dbraw/zinc/50/07/74/598500774.db2.gz PMIBXVYFHVRGGR-QMMMGPOBSA-N 0 3 306.330 0.922 20 5 DCBDHN C[NH+](C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736760621 598602140 /nfs/dbraw/zinc/60/21/40/598602140.db2.gz BFUGQYMQAMQDJZ-SNVBAGLBSA-N 0 3 303.326 0.915 20 5 DCBDHN C[NH+](C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736760621 598602142 /nfs/dbraw/zinc/60/21/42/598602142.db2.gz BFUGQYMQAMQDJZ-SNVBAGLBSA-N 0 3 303.326 0.915 20 5 DCBDHN CN(CCO)CCN(C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000894591152 661985214 /nfs/dbraw/zinc/98/52/14/661985214.db2.gz QPODPUHJZBLMHF-UHFFFAOYSA-N 0 3 305.338 0.898 20 5 DCBDHN O=C(N[C@H]1C[C@H](CNCc2csnn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983656198 662001281 /nfs/dbraw/zinc/00/12/81/662001281.db2.gz ZNXRYTPFKRRDSZ-YJFSRANCSA-N 0 3 311.367 0.188 20 5 DCBDHN CN1CCN(C)CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000897099388 662393968 /nfs/dbraw/zinc/39/39/68/662393968.db2.gz ZJLGSIJEXLCBCV-UHFFFAOYSA-N 0 3 311.361 1.000 20 5 DCBDHN O=C(NCC1=CCN(Cc2cccnc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000671444 665914131 /nfs/dbraw/zinc/91/41/31/665914131.db2.gz VAGHWCQLVGXVOR-HUUCEWRRSA-N 0 3 316.361 0.995 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889779257 667996187 /nfs/dbraw/zinc/99/61/87/667996187.db2.gz DJCGPFMQECHKSA-OLZOCXBDSA-N 0 3 322.365 0.605 20 5 DCBDHN O=C(CN[C@H](CO)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000771800964 668751534 /nfs/dbraw/zinc/75/15/34/668751534.db2.gz HNMRHEOPCUOEOP-SNVBAGLBSA-N 0 3 323.305 0.623 20 5 DCBDHN CN1C(=O)[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]2C1=O ZINC000879531732 669055603 /nfs/dbraw/zinc/05/56/03/669055603.db2.gz JLJYQGVJATWRLD-BETUJISGSA-N 0 3 319.317 0.520 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2C[C@]2(CO)C1 ZINC000782602323 669110318 /nfs/dbraw/zinc/11/03/18/669110318.db2.gz BTJGHDMGEJKCMN-YWPYICTPSA-N 0 3 308.334 0.649 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000880582132 669242591 /nfs/dbraw/zinc/24/25/91/669242591.db2.gz KPEGVGQGCPNWDJ-ZDUSSCGKSA-N 0 3 310.354 0.655 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000934394523 669600686 /nfs/dbraw/zinc/60/06/86/669600686.db2.gz HCDHCEMERSPTDB-ONGXEEELSA-N 0 3 307.354 0.841 20 5 DCBDHN CCNS(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110542 670611831 /nfs/dbraw/zinc/61/18/31/670611831.db2.gz CZBKMDMSPASSPY-SECBINFHSA-N 0 3 316.335 0.807 20 5 DCBDHN CC(COC(=O)COCCNC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813111659 670612109 /nfs/dbraw/zinc/61/21/09/670612109.db2.gz VTHSOWHBKIXHIB-NSHDSACASA-N 0 3 310.306 0.641 20 5 DCBDHN O=C([N-][C@@H]1[C@H]2C[NH2+]C[C@H]21)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764398 670945786 /nfs/dbraw/zinc/94/57/86/670945786.db2.gz QTHDCTAUORMYEU-URLYPYJESA-N 0 3 313.260 0.900 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818007769 670961981 /nfs/dbraw/zinc/96/19/81/670961981.db2.gz JLCZOGZJAMCDNL-NSHDSACASA-N 0 3 310.266 0.221 20 5 DCBDHN CN1CCN(C)[C@@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819048740 671089674 /nfs/dbraw/zinc/08/96/74/671089674.db2.gz ASZYIANIKOJNMZ-GJZGRUSLSA-N 0 3 308.382 0.464 20 5 DCBDHN CN1C(=O)CC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819384395 671115666 /nfs/dbraw/zinc/11/56/66/671115666.db2.gz YFSQVHWVTJQUMS-NWDGAFQWSA-N 0 3 307.306 0.365 20 5 DCBDHN CCOC(=O)C[C@@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843078363 672059404 /nfs/dbraw/zinc/05/94/04/672059404.db2.gz YEDQGLOMCKQJKD-WCQYABFASA-N 0 3 312.322 0.532 20 5 DCBDHN O=C1[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1CCO ZINC000843105849 672062617 /nfs/dbraw/zinc/06/26/17/672062617.db2.gz XWEQCUAHUYKHNP-KGLIPLIRSA-N 0 3 323.349 0.201 20 5 DCBDHN O=C(NCC=CCNCc1nnc(C2CC2)[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC001568848797 1160814540 /nfs/dbraw/zinc/81/45/40/1160814540.db2.gz PDLHCHZGTNBHPL-COUIAZAYSA-N 0 3 320.353 0.109 20 5 DCBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[C@@H](F)CN1 ZINC001574330955 1163697175 /nfs/dbraw/zinc/69/71/75/1163697175.db2.gz IBHGJCOWCXFBBT-RDDDGLTNSA-N 0 3 307.285 0.787 20 5 DCBDHN C[C@@H](CNC(=O)NC[C@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001576023567 1164213630 /nfs/dbraw/zinc/21/36/30/1164213630.db2.gz QGVRGNZWDLQLAC-NWDGAFQWSA-N 0 3 322.365 0.986 20 5 DCBDHN C[N@H+]1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196368 1167146091 /nfs/dbraw/zinc/14/60/91/1167146091.db2.gz ODNNRBHBNZMXPP-AOOOYVTPSA-N 0 3 316.325 0.168 20 5 DCBDHN C[N@@H+]1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196368 1167146096 /nfs/dbraw/zinc/14/60/96/1167146096.db2.gz ODNNRBHBNZMXPP-AOOOYVTPSA-N 0 3 316.325 0.168 20 5 DCBDHN C[N@H+]1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196368 1167146099 /nfs/dbraw/zinc/14/60/99/1167146099.db2.gz ODNNRBHBNZMXPP-AOOOYVTPSA-N 0 3 316.325 0.168 20 5 DCBDHN C[N@@H+]1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196368 1167146112 /nfs/dbraw/zinc/14/61/12/1167146112.db2.gz ODNNRBHBNZMXPP-AOOOYVTPSA-N 0 3 316.325 0.168 20 5 DCBDHN [NH3+]CC1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001592744300 1167627860 /nfs/dbraw/zinc/62/78/60/1167627860.db2.gz HCORNWGFFFFTAM-UHFFFAOYSA-N 0 3 303.326 0.950 20 5 DCBDHN [NH3+]CC1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001592744300 1167627866 /nfs/dbraw/zinc/62/78/66/1167627866.db2.gz HCORNWGFFFFTAM-UHFFFAOYSA-N 0 3 303.326 0.950 20 5 DCBDHN Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609405145 1170967085 /nfs/dbraw/zinc/96/70/85/1170967085.db2.gz XJXXSNINWYYTKI-UWVGGRQHSA-N 0 3 315.337 0.739 20 5 DCBDHN Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609405145 1170967091 /nfs/dbraw/zinc/96/70/91/1170967091.db2.gz XJXXSNINWYYTKI-UWVGGRQHSA-N 0 3 315.337 0.739 20 5 DCBDHN CNC(=O)c1ccc(N2CC(N[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001612978961 1171365767 /nfs/dbraw/zinc/36/57/67/1171365767.db2.gz FVUUSIXVNDBWRO-LLVKDONJSA-N 0 3 320.349 0.522 20 5 DCBDHN O=C1N[C@H](C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CO1 ZINC001620631917 1171406053 /nfs/dbraw/zinc/40/60/53/1171406053.db2.gz GIWZUXRFNUNOFR-NSHDSACASA-N 0 3 309.326 0.612 20 5 DCBDHN COC[C@](C)(CO)NCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001644132563 1171997298 /nfs/dbraw/zinc/99/72/98/1171997298.db2.gz CVVCJJUUMZBGKU-AWEZNQCLSA-N 0 3 314.338 0.969 20 5 DCBDHN COc1cc(C(=O)NCCN(C)CCO)c([N+](=O)[O-])cc1F ZINC001645402217 1172041140 /nfs/dbraw/zinc/04/11/40/1172041140.db2.gz AEBVWBUPSFHJLJ-UHFFFAOYSA-N 0 3 315.301 0.396 20 5 DCBDHN Cn1cc([N+](=O)[O-])c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC001650895628 1173736187 /nfs/dbraw/zinc/73/61/87/1173736187.db2.gz FFRZUGPGEBIKRY-NSHDSACASA-N 0 3 322.369 0.071 20 5 DCBDHN COC(=O)c1cnc(N2CC(N[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001651457685 1173749024 /nfs/dbraw/zinc/74/90/24/1173749024.db2.gz QQIYVLVRUCDWQB-SNVBAGLBSA-N 0 3 322.321 0.344 20 5 DCBDHN CC(C)N(CCN(C)Cc1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001677198945 1175548181 /nfs/dbraw/zinc/54/81/81/1175548181.db2.gz MKAXRYNIGCWGCA-ZIAGYGMSSA-N 0 3 323.397 0.754 20 5 DCBDHN CCc1noc(C)c1CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001754118541 1188748684 /nfs/dbraw/zinc/74/86/84/1188748684.db2.gz AJXACBOFJPGYPE-UTWMECEDSA-N 0 3 322.365 0.973 20 5 DCBDHN COCCOCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124908712 751741869 /nfs/dbraw/zinc/74/18/69/751741869.db2.gz QAWJUNVNEZVOQF-UHFFFAOYSA-N 0 3 311.338 0.464 20 5 DCBDHN O=C(Cc1cncnc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126402899 748707193 /nfs/dbraw/zinc/70/71/93/748707193.db2.gz KMFLMYDVYCCTJK-UHFFFAOYSA-N 0 3 315.333 0.833 20 5 DCBDHN Cn1nccc1CN1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045436087 753194490 /nfs/dbraw/zinc/19/44/90/753194490.db2.gz GXZIVVAYMLKCPY-CHWSQXEVSA-N 0 3 321.381 0.556 20 5 DCBDHN Cc1nc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)o1 ZINC001086084361 759694235 /nfs/dbraw/zinc/69/42/35/759694235.db2.gz OECAQTUWWADZNB-GFQSEFKGSA-N 0 3 322.365 0.941 20 5 DCBDHN Nc1nccnc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125029262 768341511 /nfs/dbraw/zinc/34/15/11/768341511.db2.gz QTFZCYFLQJZKKY-UHFFFAOYSA-N 0 3 316.321 0.487 20 5 DCBDHN CN(CCCN1CCN(C)CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001136817158 766546600 /nfs/dbraw/zinc/54/66/00/766546600.db2.gz GNCINMUQSMUYER-UHFFFAOYSA-N 0 3 314.430 0.918 20 5 DCBDHN COc1nc(N2C[C@H]3CCCN(C)[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001157266826 771571089 /nfs/dbraw/zinc/57/10/89/771571089.db2.gz XUWFHFKABGSUJS-NXEZZACHSA-N 0 3 323.353 0.932 20 5 DCBDHN Nc1nc(NC[C@H]2CCN2C2CCOCC2)ncc1[N+](=O)[O-] ZINC001187715708 772214543 /nfs/dbraw/zinc/21/45/43/772214543.db2.gz BLXIHWXAXZQCHT-SNVBAGLBSA-N 0 3 308.342 0.632 20 5 DCBDHN Cc1c(C)c(N(C2CNC2)S(C)(=O)=O)ncc1[N+](=O)[O-] ZINC001166968819 772892868 /nfs/dbraw/zinc/89/28/68/772892868.db2.gz MHUPXTIEHVPSJS-UHFFFAOYSA-N 0 3 300.340 0.344 20 5 DCBDHN CS(=O)(=O)N(c1nccc2cc([N+](=O)[O-])ccc21)C1CNC1 ZINC001166971559 772894198 /nfs/dbraw/zinc/89/41/98/772894198.db2.gz GBMXMAQCRFFWHY-UHFFFAOYSA-N 0 3 322.346 0.881 20 5 DCBDHN CS(=O)(=O)N(c1nccc2ccc([N+](=O)[O-])cc21)C1CNC1 ZINC001166970902 772894379 /nfs/dbraw/zinc/89/43/79/772894379.db2.gz YZUHOWVSYSUNTE-UHFFFAOYSA-N 0 3 322.346 0.881 20 5 DCBDHN CCN(C)[C@@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC001214102681 773926086 /nfs/dbraw/zinc/92/60/86/773926086.db2.gz FEDBDORYMSSEHD-SNVBAGLBSA-N 0 3 314.367 0.705 20 5 DCBDHN CN(C)S(=O)(=O)CCN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576764 946410314 /nfs/dbraw/zinc/41/03/14/946410314.db2.gz YWZQXPYFBXFICS-LBPRGKRZSA-N 0 3 313.379 0.543 20 5 DCBDHN Nc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC001324466960 947433264 /nfs/dbraw/zinc/43/32/64/947433264.db2.gz KMKTVRJKXMIWKR-LBPRGKRZSA-N 0 3 322.365 0.754 20 5 DCBDHN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(C)n(C)n1 ZINC001265113623 949325950 /nfs/dbraw/zinc/32/59/50/949325950.db2.gz UDAKSCBEYPVUEW-ZIAGYGMSSA-N 0 3 323.397 0.722 20 5 DCBDHN CN1CCN(CC2CN(C(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC001330422884 950379548 /nfs/dbraw/zinc/37/95/48/950379548.db2.gz GLEHHOUDYHQMCU-UHFFFAOYSA-N 0 3 324.406 0.976 20 5 DCBDHN COc1cc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001316824372 960396678 /nfs/dbraw/zinc/39/66/78/960396678.db2.gz YLPOJSWRZBOWOM-GHMZBOCLSA-N 0 3 312.326 0.287 20 5 DCBDHN C[C@@H]1[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCN1C ZINC001458613480 1012229964 /nfs/dbraw/zinc/22/99/64/1012229964.db2.gz CGWWTDWWMJCOGS-BDAKNGLRSA-N 0 3 314.367 0.747 20 5 DCBDHN C[C@@H]1[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCN1C ZINC001458613487 1012230273 /nfs/dbraw/zinc/23/02/73/1012230273.db2.gz CGWWTDWWMJCOGS-RKDXNWHRSA-N 0 3 314.367 0.747 20 5 DCBDHN CCN1C[C@@H](C)N(c2nnc(CCC[N+](=O)[O-])n2C)C[C@@H]1C ZINC001519565659 1017217711 /nfs/dbraw/zinc/21/77/11/1017217711.db2.gz CPBZKIRPKWLXES-NWDGAFQWSA-N 0 3 310.402 0.943 20 5 DCBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cn[nH]n1 ZINC001493612323 1019565685 /nfs/dbraw/zinc/56/56/85/1019565685.db2.gz BENMUSBCKYZDFV-UHFFFAOYSA-N 0 3 304.310 0.575 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc2c(c1)CNC2 ZINC000188659560 200282815 /nfs/dbraw/zinc/28/28/15/200282815.db2.gz KSRYCSBFQRATEI-UHFFFAOYSA-N 0 3 301.306 0.711 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000566455312 291303262 /nfs/dbraw/zinc/30/32/62/291303262.db2.gz MFKAXGYRXXAIRF-CQSZACIVSA-N 0 3 308.338 0.120 20 5 DCBDHN N[C@@H]1C[C@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490237 291307624 /nfs/dbraw/zinc/30/76/24/291307624.db2.gz FHHMTUQITGGQHX-SVDKCWMDSA-N 0 3 316.361 0.852 20 5 DCBDHN CCOc1cccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000566490492 291307751 /nfs/dbraw/zinc/30/77/51/291307751.db2.gz KBMXDAYOIUOPJX-GHMZBOCLSA-N 0 3 320.349 0.742 20 5 DCBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1cc([N+](=O)[O-])n[nH]1 ZINC000423661280 240234111 /nfs/dbraw/zinc/23/41/11/240234111.db2.gz DDKTWEMKUGVQIO-LBPRGKRZSA-N 0 3 301.306 0.935 20 5 DCBDHN NC(=O)c1ccnc(NC[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000567531012 291360430 /nfs/dbraw/zinc/36/04/30/291360430.db2.gz XQKPBJKVCDJLSM-SECBINFHSA-N 0 3 305.338 0.985 20 5 DCBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346185076 254020917 /nfs/dbraw/zinc/02/09/17/254020917.db2.gz NSULXDRDCMOBFD-SDDRHHMPSA-N 0 3 322.369 0.375 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000272975462 130078982 /nfs/dbraw/zinc/07/89/82/130078982.db2.gz CWLAKHOBUYLCSP-KBPBESRZSA-N 0 3 324.312 0.615 20 5 DCBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284186728 131058131 /nfs/dbraw/zinc/05/81/31/131058131.db2.gz YRRQQRGHAZDKAY-UHFFFAOYSA-N 0 3 314.317 0.624 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272503925 395895708 /nfs/dbraw/zinc/89/57/08/395895708.db2.gz OBISSYSFQSMJDC-NEPJUHHUSA-N 0 3 307.354 0.652 20 5 DCBDHN CN(CCN(C)C1CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000274540954 395957175 /nfs/dbraw/zinc/95/71/75/395957175.db2.gz DXTZBEYXJITJBL-UHFFFAOYSA-N 0 3 308.338 0.309 20 5 DCBDHN COCCNCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000152478672 396010705 /nfs/dbraw/zinc/01/07/05/396010705.db2.gz GDVBKPNUYFBEJU-UHFFFAOYSA-N 0 3 310.354 0.749 20 5 DCBDHN CCc1n[nH]c(C(=O)NCCN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000278424651 396124097 /nfs/dbraw/zinc/12/40/97/396124097.db2.gz CEGJBDNEAXMMFO-UHFFFAOYSA-N 0 3 324.385 0.248 20 5 DCBDHN O=C(CCN1C[C@@H](O)[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000278963616 396143135 /nfs/dbraw/zinc/14/31/35/396143135.db2.gz ZTKLCQSRLHFYPX-TXEJJXNPSA-N 0 3 313.285 0.100 20 5 DCBDHN COc1ccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000261968846 396085068 /nfs/dbraw/zinc/08/50/68/396085068.db2.gz YQOZWHJXJLNBCP-ZDUSSCGKSA-N 0 3 324.337 0.641 20 5 DCBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178523676 396198584 /nfs/dbraw/zinc/19/85/84/396198584.db2.gz UQDSPPHFWITJOM-DGCLKSJQSA-N 0 3 307.354 0.734 20 5 DCBDHN C[C@]1(C(N)=O)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000280722216 396216870 /nfs/dbraw/zinc/21/68/70/396216870.db2.gz KGLDDILZWOUJKL-AWEZNQCLSA-N 0 3 306.322 0.391 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269047697 396382953 /nfs/dbraw/zinc/38/29/53/396382953.db2.gz PFOBWPLDRNJFGF-ZWNOBZJWSA-N 0 3 322.369 0.573 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)Cn1ccnn1 ZINC000595054182 396546346 /nfs/dbraw/zinc/54/63/46/396546346.db2.gz ZAPNEDXMHDJMQH-JQWIXIFHSA-N 0 3 321.337 0.907 20 5 DCBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000595104046 396548865 /nfs/dbraw/zinc/54/88/65/396548865.db2.gz DAISHZKFPBOACT-UWVGGRQHSA-N 0 3 314.367 0.656 20 5 DCBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)S1 ZINC000304285237 396728640 /nfs/dbraw/zinc/72/86/40/396728640.db2.gz FNLYYKBKRCXULF-UMNHJUIQSA-N 0 3 300.384 0.978 20 5 DCBDHN NC(=O)c1cc(NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000596088155 396716022 /nfs/dbraw/zinc/71/60/22/396716022.db2.gz YUSUZNRSDFJFOS-UHFFFAOYSA-N 0 3 322.365 0.952 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563438382 396736665 /nfs/dbraw/zinc/73/66/65/396736665.db2.gz CZXPKKSARFZORE-OLZOCXBDSA-N 0 3 320.349 0.347 20 5 DCBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](CO)CN1CCCC1 ZINC000590371724 396763803 /nfs/dbraw/zinc/76/38/03/396763803.db2.gz DMXLZIQEZVXCAQ-LBPRGKRZSA-N 0 3 323.349 0.547 20 5 DCBDHN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN2CC[C@H]1C2 ZINC000597708543 397071015 /nfs/dbraw/zinc/07/10/15/397071015.db2.gz ANABTNZWEGEGDL-JTQLQIEISA-N 0 3 319.317 0.896 20 5 DCBDHN CCCN1CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000598341883 397215720 /nfs/dbraw/zinc/21/57/20/397215720.db2.gz HTEPLILGQRJHQT-NSHDSACASA-N 0 3 308.338 0.357 20 5 DCBDHN CC1(C)CC[C@@H](CO)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598648069 397267681 /nfs/dbraw/zinc/26/76/81/397267681.db2.gz NQBBXNVEEQOEHK-AAEUAGOBSA-N 0 3 312.370 0.635 20 5 DCBDHN O=[N+]([O-])c1ncn(C[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000601958573 397273820 /nfs/dbraw/zinc/27/38/20/397273820.db2.gz NOMVLXRFLOBKQU-AWEZNQCLSA-N 0 3 303.322 0.823 20 5 DCBDHN COc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000386776054 397289735 /nfs/dbraw/zinc/28/97/35/397289735.db2.gz IOBMLXVZIRBNJM-CYBMUJFWSA-N 0 3 306.322 0.951 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000577713171 397353144 /nfs/dbraw/zinc/35/31/44/397353144.db2.gz LCCZNUJLDXLRSD-LBPRGKRZSA-N 0 3 320.349 0.651 20 5 DCBDHN Cc1cc(OCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000577744181 397356941 /nfs/dbraw/zinc/35/69/41/397356941.db2.gz GKSPRBWTKLGBGX-KBPBESRZSA-N 0 3 323.349 0.415 20 5 DCBDHN NC(=O)c1ccnc(N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000578585426 397455738 /nfs/dbraw/zinc/45/57/38/397455738.db2.gz FKDRMHAHYFITOG-JTQLQIEISA-N 0 3 305.338 0.763 20 5 DCBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CNCCO1 ZINC000578315434 397417865 /nfs/dbraw/zinc/41/78/65/397417865.db2.gz PRUWHPDSMKBBHH-JTQLQIEISA-N 0 3 309.322 0.712 20 5 DCBDHN COc1ccc(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000578787550 397486968 /nfs/dbraw/zinc/48/69/68/397486968.db2.gz SCGFXEQGWBPVOI-RYUDHWBXSA-N 0 3 320.349 0.347 20 5 DCBDHN Cc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000579006564 397514934 /nfs/dbraw/zinc/51/49/34/397514934.db2.gz ONWCCJFJMCWEBC-CMPLNLGQSA-N 0 3 318.333 0.287 20 5 DCBDHN CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602904101 397519159 /nfs/dbraw/zinc/51/91/59/397519159.db2.gz ISVICUMOEUFGIF-CQSZACIVSA-N 0 3 322.365 0.532 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000609674471 397789801 /nfs/dbraw/zinc/78/98/01/397789801.db2.gz GWIQFENCJBFMOW-GFCCVEGCSA-N 0 3 308.386 0.545 20 5 DCBDHN COCCN(C)CCCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000065866828 158034288 /nfs/dbraw/zinc/03/42/88/158034288.db2.gz RNTGYQQUXAALND-UHFFFAOYSA-N 0 3 313.358 0.184 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]C[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000070447478 158048236 /nfs/dbraw/zinc/04/82/36/158048236.db2.gz RSUAZCOBQMNGTJ-JTQLQIEISA-N 0 3 317.367 0.865 20 5 DCBDHN O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@]1(F)CCNC1 ZINC000165539516 158365079 /nfs/dbraw/zinc/36/50/79/158365079.db2.gz YMCOPAOYZQJVQZ-HNNXBMFYSA-N 0 3 322.340 0.945 20 5 DCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CCCC2)C1 ZINC000171452489 158383607 /nfs/dbraw/zinc/38/36/07/158383607.db2.gz HTPJAJUEHJEIKG-GFCCVEGCSA-N 0 3 307.354 0.878 20 5 DCBDHN NC(=O)c1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000316982161 159003737 /nfs/dbraw/zinc/00/37/37/159003737.db2.gz DCBZOQVEZFNNTD-VHRBIJSZSA-N 0 3 305.334 0.896 20 5 DCBDHN Nc1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000321806255 159011948 /nfs/dbraw/zinc/01/19/48/159011948.db2.gz YHWIKHHBYHWKDM-QWRGUYRKSA-N 0 3 320.349 0.770 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](n3cccn3)C2)c1 ZINC000362888529 159273032 /nfs/dbraw/zinc/27/30/32/159273032.db2.gz JVCOKFANGXNWEL-OCCSQVGLSA-N 0 3 320.353 0.686 20 5 DCBDHN NC(=O)C[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000367987631 159368827 /nfs/dbraw/zinc/36/88/27/159368827.db2.gz GLOTVNBQOJOCRQ-NEPJUHHUSA-N 0 3 323.349 0.532 20 5 DCBDHN NC(=O)CC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090525194 415532310 /nfs/dbraw/zinc/53/23/10/415532310.db2.gz DQBZSCIHHYDLIP-LBPRGKRZSA-N 0 3 322.365 0.734 20 5 DCBDHN C[C@H]1[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343887362 415766578 /nfs/dbraw/zinc/76/65/78/415766578.db2.gz FVXGUAQFSAFGEW-CMPLNLGQSA-N 0 3 310.358 0.573 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000178485504 416164208 /nfs/dbraw/zinc/16/42/08/416164208.db2.gz XJIJZWWGKQIEDF-ZDUSSCGKSA-N 0 3 309.370 0.445 20 5 DCBDHN COCCN(CCN(C)C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000264130922 416339008 /nfs/dbraw/zinc/33/90/08/416339008.db2.gz DZISOZAWJRYSAP-UHFFFAOYSA-N 0 3 313.358 0.287 20 5 DCBDHN NC[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415472728 416344920 /nfs/dbraw/zinc/34/49/20/416344920.db2.gz YPSZTLBOALWTDT-JTQLQIEISA-N 0 3 310.285 0.622 20 5 DCBDHN Cn1ccnc1[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068893 416535684 /nfs/dbraw/zinc/53/56/84/416535684.db2.gz PZSHCYJOAORYQQ-AAEUAGOBSA-N 0 3 320.353 0.375 20 5 DCBDHN Nc1nccc(C(=O)NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000548055821 416685091 /nfs/dbraw/zinc/68/50/91/416685091.db2.gz WDHWDWCXHCASIL-UHFFFAOYSA-N 0 3 305.338 0.929 20 5 DCBDHN Cc1nn(C)c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000425057540 416680785 /nfs/dbraw/zinc/68/07/85/416680785.db2.gz MOFVEQZONZCUTP-WDEREUQCSA-N 0 3 307.354 0.803 20 5 DCBDHN COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000440840262 416651152 /nfs/dbraw/zinc/65/11/52/416651152.db2.gz DXUYNPZQQUVXFV-ZETCQYMHSA-N 0 3 321.330 0.616 20 5 DCBDHN COCCN(C)C[C@@H](O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000518563092 416865563 /nfs/dbraw/zinc/86/55/63/416865563.db2.gz UZRFBNBQVUZPAG-GFCCVEGCSA-N 0 3 314.338 0.405 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NCCCNCc1cccnc1 ZINC000428142668 416878161 /nfs/dbraw/zinc/87/81/61/416878161.db2.gz SEVLRZULOLSZFO-UHFFFAOYSA-N 0 3 318.337 0.482 20 5 DCBDHN CC(C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCCCC1 ZINC000518020858 416838061 /nfs/dbraw/zinc/83/80/61/416838061.db2.gz SOHUCNDPRLWCPR-UHFFFAOYSA-N 0 3 310.358 0.567 20 5 DCBDHN CN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000519538265 416910333 /nfs/dbraw/zinc/91/03/33/416910333.db2.gz IUNOYLOEIXRUES-LBPRGKRZSA-N 0 3 321.381 0.498 20 5 DCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565548301 416991147 /nfs/dbraw/zinc/99/11/47/416991147.db2.gz GOECLQQRMGLDNW-GXSJLCMTSA-N 0 3 322.296 0.118 20 5 DCBDHN Cc1ccc(NCCCNC(=O)COC2CNC2)c([N+](=O)[O-])c1 ZINC000429993664 417011913 /nfs/dbraw/zinc/01/19/13/417011913.db2.gz UGFNYYCAOKSHPK-UHFFFAOYSA-N 0 3 322.365 0.810 20 5 DCBDHN N[C@@H]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000568902238 417193152 /nfs/dbraw/zinc/19/31/52/417193152.db2.gz ZSDAAKROGVQBPI-WCQYABFASA-N 0 3 308.313 0.478 20 5 DCBDHN COc1ccc(NC(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000571028474 417414999 /nfs/dbraw/zinc/41/49/99/417414999.db2.gz VAAGBNQZKADJPO-LLVKDONJSA-N 0 3 323.353 0.710 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000570663714 417378418 /nfs/dbraw/zinc/37/84/18/417378418.db2.gz SIMDXVQCSQVVDL-NSHDSACASA-N 0 3 323.353 0.710 20 5 DCBDHN C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN(C2CC2)C1 ZINC000452171011 417456834 /nfs/dbraw/zinc/45/68/34/417456834.db2.gz NMYMIOYCKYRCDX-LLVKDONJSA-N 0 3 307.354 0.734 20 5 DCBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC000417757224 262260452 /nfs/dbraw/zinc/26/04/52/262260452.db2.gz AXGLQWCEUSNGSG-GFCCVEGCSA-N 0 3 308.338 0.425 20 5 DCBDHN CCc1nn(C)c(N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000360904158 271164526 /nfs/dbraw/zinc/16/45/26/271164526.db2.gz OTBFDBSKANLZKQ-UHFFFAOYSA-N 0 3 324.429 0.964 20 5 DCBDHN C[C@H](C[S@@](C)=O)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563530185 288683192 /nfs/dbraw/zinc/68/31/92/288683192.db2.gz CUOTYRUWSNHSLF-NNUHMIRASA-N 0 3 316.379 0.691 20 5 DCBDHN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000583744168 337328464 /nfs/dbraw/zinc/32/84/64/337328464.db2.gz PWTOVTXJLXPNKB-NSHDSACASA-N 0 3 322.365 0.320 20 5 DCBDHN [NH3+]C1(CO)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000737765623 598896320 /nfs/dbraw/zinc/89/63/20/598896320.db2.gz VMALLNMGHKNLCC-UHFFFAOYSA-N 0 3 319.325 0.065 20 5 DCBDHN [NH3+]C1(CO)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000737765623 598896322 /nfs/dbraw/zinc/89/63/22/598896322.db2.gz VMALLNMGHKNLCC-UHFFFAOYSA-N 0 3 319.325 0.065 20 5 DCBDHN C[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736859390 598499243 /nfs/dbraw/zinc/49/92/43/598499243.db2.gz GVOVTPQHCUZYLC-QMMMGPOBSA-N 0 3 304.314 0.676 20 5 DCBDHN C[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736859390 598499245 /nfs/dbraw/zinc/49/92/45/598499245.db2.gz GVOVTPQHCUZYLC-QMMMGPOBSA-N 0 3 304.314 0.676 20 5 DCBDHN C[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736859390 598499247 /nfs/dbraw/zinc/49/92/47/598499247.db2.gz GVOVTPQHCUZYLC-QMMMGPOBSA-N 0 3 304.314 0.676 20 5 DCBDHN C[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736859390 598499249 /nfs/dbraw/zinc/49/92/49/598499249.db2.gz GVOVTPQHCUZYLC-QMMMGPOBSA-N 0 3 304.314 0.676 20 5 DCBDHN CC(C)(C)[NH2+]CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735623441 598499750 /nfs/dbraw/zinc/49/97/50/598499750.db2.gz OBQCEFNXWUNGPP-UHFFFAOYSA-N 0 3 306.330 0.970 20 5 DCBDHN CC(C)(C)[NH2+]CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735623441 598499752 /nfs/dbraw/zinc/49/97/52/598499752.db2.gz OBQCEFNXWUNGPP-UHFFFAOYSA-N 0 3 306.330 0.970 20 5 DCBDHN O=C(N[C@H]1C[C@@H](NCc2ncc(C3CC3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064069 658816320 /nfs/dbraw/zinc/81/63/20/658816320.db2.gz UJSNIBMYMROEIU-WRWGMCAJSA-N 0 3 320.349 0.954 20 5 DCBDHN Cn1nccc1CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000672543 665914139 /nfs/dbraw/zinc/91/41/39/665914139.db2.gz XZUWQALUNLCQRW-ZIAGYGMSSA-N 0 3 319.365 0.334 20 5 DCBDHN C[C@H](NC[C@@]1(CO)COCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000903285485 663451036 /nfs/dbraw/zinc/45/10/36/663451036.db2.gz KYXYGOGONGZPLX-SWLSCSKDSA-N 0 3 309.366 0.939 20 5 DCBDHN Cc1cc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC001002787147 666221961 /nfs/dbraw/zinc/22/19/61/666221961.db2.gz GLHYIWZWHAOLHK-ZIAGYGMSSA-N 0 3 319.365 0.531 20 5 DCBDHN C[C@@H]1CN(C[C@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000839578122 668119066 /nfs/dbraw/zinc/11/90/66/668119066.db2.gz WXKFTIZQGCHZQB-DHGKCCLASA-N 0 3 311.382 0.752 20 5 DCBDHN CN(C)C[C@@H]1NC(=O)N(CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000924514730 668213482 /nfs/dbraw/zinc/21/34/82/668213482.db2.gz SNEYLWSDMQIJSE-LBPRGKRZSA-N 0 3 306.322 0.619 20 5 DCBDHN CN(C)C[C@@H]1NC(=O)N(CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000924624584 668222647 /nfs/dbraw/zinc/22/26/47/668222647.db2.gz MANAOSVPHHYXBT-LBPRGKRZSA-N 0 3 306.322 0.619 20 5 DCBDHN CNC(=O)C1(NCCn2cc([N+](=O)[O-])ccc2=O)CCCC1 ZINC000761679474 668333984 /nfs/dbraw/zinc/33/39/84/668333984.db2.gz DBWIZDGGMKQSKJ-UHFFFAOYSA-N 0 3 308.338 0.405 20 5 DCBDHN CN(C)C[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000876730745 668497980 /nfs/dbraw/zinc/49/79/80/668497980.db2.gz KTURKUPGEDZVTE-AWEZNQCLSA-N 0 3 321.381 0.132 20 5 DCBDHN CN1C(=O)[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000879532194 669056222 /nfs/dbraw/zinc/05/62/22/669056222.db2.gz SPFMVMRAODXCQS-PHIMTYICSA-N 0 3 319.317 0.520 20 5 DCBDHN C[C@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854231825 670536900 /nfs/dbraw/zinc/53/69/00/670536900.db2.gz JIHOOPODUOSBNJ-QMMMGPOBSA-N 0 3 318.337 0.982 20 5 DCBDHN CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813106773 670612134 /nfs/dbraw/zinc/61/21/34/670612134.db2.gz GYKIHIZXVKHUHR-UWVGGRQHSA-N 0 3 308.356 0.257 20 5 DCBDHN CC(COC(=O)c1ccc(CNS(C)(=O)=O)o1)[N+](=O)[O-] ZINC000813115088 670613025 /nfs/dbraw/zinc/61/30/25/670613025.db2.gz KLESSBVKAHTDGJ-SSDOTTSWSA-N 0 3 306.296 0.151 20 5 DCBDHN CC(COC(=O)c1coc(S(=O)(=O)N(C)C)c1)[N+](=O)[O-] ZINC000813112906 670613093 /nfs/dbraw/zinc/61/30/93/670613093.db2.gz WCSZHDHEYOLKAD-ZETCQYMHSA-N 0 3 306.296 0.352 20 5 DCBDHN CS(=O)(=O)CCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818971980 671081699 /nfs/dbraw/zinc/08/16/99/671081699.db2.gz DTEHAMHMHHZDRT-LBPRGKRZSA-N 0 3 302.352 0.653 20 5 DCBDHN CC(COC(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000860777888 671237606 /nfs/dbraw/zinc/23/76/06/671237606.db2.gz YKDWYKVVUPWNSL-KXUCPTDWSA-N 0 3 318.326 0.877 20 5 DCBDHN CN(CC1CN(C)C1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000853553503 671243705 /nfs/dbraw/zinc/24/37/05/671243705.db2.gz PDSMXSSPSJKUJQ-UHFFFAOYSA-N 0 3 306.322 0.954 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000828958385 671564160 /nfs/dbraw/zinc/56/41/60/671564160.db2.gz DQIGOPSBISATBL-NEPJUHHUSA-N 0 3 307.354 0.795 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H](O)C(F)(F)F)c1 ZINC000843062627 672057808 /nfs/dbraw/zinc/05/78/08/672057808.db2.gz LGKUYLYFXWHDEJ-ONGXEEELSA-N 0 3 324.255 0.847 20 5 DCBDHN CCOC(=O)C[C@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843078362 672059248 /nfs/dbraw/zinc/05/92/48/672059248.db2.gz YEDQGLOMCKQJKD-DGCLKSJQSA-N 0 3 312.322 0.532 20 5 DCBDHN Cc1nn(CN2CC[C@@H]3[C@@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000902641710 685458773 /nfs/dbraw/zinc/45/87/73/685458773.db2.gz AEUWMLYTQCWFGK-QWHCGFSZSA-N 0 3 309.370 0.588 20 5 DCBDHN CCN1CC[C@H]1CNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001577766973 1164786887 /nfs/dbraw/zinc/78/68/87/1164786887.db2.gz FAUJYTAHMXKVSJ-ZFWWWQNUSA-N 0 3 306.366 0.979 20 5 DCBDHN O=C(NC[C@H]1CNCCO1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001580666612 1165679045 /nfs/dbraw/zinc/67/90/45/1165679045.db2.gz SKYTXNBBHAVFAB-SSDOTTSWSA-N 0 3 301.249 0.591 20 5 DCBDHN Nc1ncc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC001583990104 1166298513 /nfs/dbraw/zinc/29/85/13/1166298513.db2.gz XJDLDIJIDHXBPS-MNOVXSKESA-N 0 3 321.337 0.165 20 5 DCBDHN O=[N+]([O-])c1cc(NC[C@H]2CSCC[NH2+]2)ccc1-c1nnn[n-]1 ZINC001593473422 1167860965 /nfs/dbraw/zinc/86/09/65/1167860965.db2.gz BMJZJLGIBPTJAS-VIFPVBQESA-N 0 3 321.366 0.892 20 5 DCBDHN O=[N+]([O-])c1cc(NC[C@H]2CSCC[NH2+]2)ccc1-c1nn[n-]n1 ZINC001593473422 1167860975 /nfs/dbraw/zinc/86/09/75/1167860975.db2.gz BMJZJLGIBPTJAS-VIFPVBQESA-N 0 3 321.366 0.892 20 5 DCBDHN C[N@@H+]1CC[C@](O)(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001604855445 1169711237 /nfs/dbraw/zinc/71/12/37/1169711237.db2.gz HVVKXJWNFWYXLK-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@](O)(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001604855445 1169711241 /nfs/dbraw/zinc/71/12/41/1169711241.db2.gz HVVKXJWNFWYXLK-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@@H+]1CC[C@](O)(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001604855445 1169711250 /nfs/dbraw/zinc/71/12/50/1169711250.db2.gz HVVKXJWNFWYXLK-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@](O)(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001604855445 1169711256 /nfs/dbraw/zinc/71/12/56/1169711256.db2.gz HVVKXJWNFWYXLK-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN C[NH+]1CCC(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001609283725 1170911686 /nfs/dbraw/zinc/91/16/86/1170911686.db2.gz LVEJRQKYWUMMFP-UHFFFAOYSA-N 0 3 304.314 0.676 20 5 DCBDHN CCN1CCN(CCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001632796898 1171625699 /nfs/dbraw/zinc/62/56/99/1171625699.db2.gz KOWYBKDVPFVKAF-UHFFFAOYSA-N 0 3 300.403 0.576 20 5 DCBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CC(N[C@H]2CCOC2)C1 ZINC001635942887 1171717850 /nfs/dbraw/zinc/71/78/50/1171717850.db2.gz ZZHXMFHQBYUGPJ-NSHDSACASA-N 0 3 320.349 0.596 20 5 DCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCN2CCO[C@H]1C2 ZINC001643189523 1171969098 /nfs/dbraw/zinc/96/90/98/1171969098.db2.gz MEGCSQAPNAQKTN-KGLIPLIRSA-N 0 3 322.365 0.161 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CN(C)CC1(C)C ZINC001646378308 1172356791 /nfs/dbraw/zinc/35/67/91/1172356791.db2.gz DUKGDNOHRKWYJR-NSHDSACASA-N 0 3 309.370 0.946 20 5 DCBDHN O=C(N[C@H]1CCC[C@@H]1N1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001650739565 1173731429 /nfs/dbraw/zinc/73/14/29/1173731429.db2.gz NOKLUGVTEOBVTP-JQWIXIFHSA-N 0 3 323.353 0.426 20 5 DCBDHN Cn1cc([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC001650895627 1173735362 /nfs/dbraw/zinc/73/53/62/1173735362.db2.gz FFRZUGPGEBIKRY-LLVKDONJSA-N 0 3 322.369 0.071 20 5 DCBDHN O=[N+]([O-])c1cc(CO)c(N2CC(N[C@H]3CCOC3)C2)cc1F ZINC001651456473 1173749663 /nfs/dbraw/zinc/74/96/63/1173749663.db2.gz CJJSAZOGEQBDSG-JTQLQIEISA-N 0 3 311.313 0.793 20 5 DCBDHN Cc1c(NC(=O)CCN2CC[C@@H](O)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC001659811488 1173937068 /nfs/dbraw/zinc/93/70/68/1173937068.db2.gz MFKKGDRCBOZYEI-KGLIPLIRSA-N 0 3 323.349 0.659 20 5 DCBDHN CCN(CCNCc1ccnc(OC)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732774647 1185961816 /nfs/dbraw/zinc/96/18/16/1185961816.db2.gz HSGBXXGZCIULKI-VXGBXAGGSA-N 0 3 323.353 0.089 20 5 DCBDHN COC(=O)c1ncc([N+](=O)[O-])cc1NC(=N)N1CCN(C)CC1 ZINC001168746524 754083861 /nfs/dbraw/zinc/08/38/61/754083861.db2.gz UUZWJRYKJHBBJO-UHFFFAOYSA-N 0 3 322.325 0.370 20 5 DCBDHN O=C(CNC(=O)C1CC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124084309 768123271 /nfs/dbraw/zinc/12/32/71/768123271.db2.gz JVNMWYWLAHXQJX-UHFFFAOYSA-N 0 3 320.349 0.327 20 5 DCBDHN Cn1cncc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130896672 763560289 /nfs/dbraw/zinc/56/02/89/763560289.db2.gz KOMBLXXTLLLBSN-UHFFFAOYSA-N 0 3 303.322 0.848 20 5 DCBDHN COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170574699 763901146 /nfs/dbraw/zinc/90/11/46/763901146.db2.gz NUQUZYGGIRSIFX-KWQFWETISA-N 0 3 310.310 0.565 20 5 DCBDHN COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H](C)[C@@H]1CNCCO1 ZINC001170574698 763902117 /nfs/dbraw/zinc/90/21/17/763902117.db2.gz NUQUZYGGIRSIFX-KCJUWKMLSA-N 0 3 310.310 0.565 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1csnn1 ZINC001131972815 764155066 /nfs/dbraw/zinc/15/50/66/764155066.db2.gz VFGHQPGFXJAULJ-UHFFFAOYSA-N 0 3 307.335 0.966 20 5 DCBDHN CC(=O)NC(C)(C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001135381003 765911318 /nfs/dbraw/zinc/91/13/18/765911318.db2.gz JFVGJBHIACRFRG-UHFFFAOYSA-N 0 3 322.365 0.715 20 5 DCBDHN C[NH+](C)CCC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094752408 769251808 /nfs/dbraw/zinc/25/18/08/769251808.db2.gz SPQSMKKOFYFQHC-UHFFFAOYSA-N 0 3 311.342 0.565 20 5 DCBDHN Cc1c[nH]cc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001176042406 770007213 /nfs/dbraw/zinc/00/72/13/770007213.db2.gz FOUVHFAPKKAHGA-UHFFFAOYSA-N 0 3 320.353 0.875 20 5 DCBDHN CC(C)(O)CN1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001163892295 772585579 /nfs/dbraw/zinc/58/55/79/772585579.db2.gz VGMBGEPZZVILRH-VIFPVBQESA-N 0 3 323.353 0.346 20 5 DCBDHN Cc1noc(CNCC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001164491022 772668224 /nfs/dbraw/zinc/66/82/24/772668224.db2.gz XSKHOVVDJGSGML-GHMZBOCLSA-N 0 3 323.353 0.419 20 5 DCBDHN CCN(C)[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC001196220226 773559784 /nfs/dbraw/zinc/55/97/84/773559784.db2.gz VNWNUQYQUYFYJS-SECBINFHSA-N 0 3 317.371 0.043 20 5 DCBDHN NC(=O)COC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001252677342 945985358 /nfs/dbraw/zinc/98/53/58/945985358.db2.gz CMEUDXKVUIZGFW-UHFFFAOYSA-N 0 3 323.349 0.940 20 5 DCBDHN COC(=O)c1cc(C(=O)NOCCN(C)C)cc([N+](=O)[O-])c1 ZINC001328309103 948821769 /nfs/dbraw/zinc/82/17/69/948821769.db2.gz HHGMUYVHUMJSFS-UHFFFAOYSA-N 0 3 311.294 0.604 20 5 DCBDHN NC(=O)COC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001331418476 951114322 /nfs/dbraw/zinc/11/43/22/951114322.db2.gz LRKUSJLCNOARMW-UHFFFAOYSA-N 0 3 323.349 0.940 20 5 DCBDHN Cc1nc(C)c(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001274014817 951326291 /nfs/dbraw/zinc/32/62/91/951326291.db2.gz DCXQRUMLCGUQCY-BLDJZWNYSA-N 0 3 308.338 0.719 20 5 DCBDHN COc1c(O)ccc(CNC[C@@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC001333725557 952141562 /nfs/dbraw/zinc/14/15/62/952141562.db2.gz YOQJJMWZUGXOTM-GFCCVEGCSA-N 0 3 324.381 0.644 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN(CCCCO)CC1 ZINC001341273787 953221303 /nfs/dbraw/zinc/22/13/03/953221303.db2.gz CIRKKFADWLBBGL-UHFFFAOYSA-N 0 3 324.381 0.147 20 5 DCBDHN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(C)n[nH]1 ZINC001283718324 954555188 /nfs/dbraw/zinc/55/51/88/954555188.db2.gz UTZGXSYVJUOAKL-ZYHUDNBSSA-N 0 3 323.353 0.352 20 5 DCBDHN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(C)[nH]n1 ZINC001283718324 954555200 /nfs/dbraw/zinc/55/52/00/954555200.db2.gz UTZGXSYVJUOAKL-ZYHUDNBSSA-N 0 3 323.353 0.352 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]1CO ZINC001308103203 960166749 /nfs/dbraw/zinc/16/67/49/960166749.db2.gz DSZBTYJFOUZKND-LLVKDONJSA-N 0 3 309.322 0.999 20 5 DCBDHN C[C@H]1C[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC001545709852 1005557462 /nfs/dbraw/zinc/55/74/62/1005557462.db2.gz MNKCMHGGRSJIEQ-WCBMZHEXSA-N 0 3 305.338 0.927 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001558548849 1012365593 /nfs/dbraw/zinc/36/55/93/1012365593.db2.gz IMFRIYVDBUUIFG-SECBINFHSA-N 0 3 306.322 0.380 20 5 DCBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1nc[nH]n1 ZINC001497468103 1018154120 /nfs/dbraw/zinc/15/41/20/1018154120.db2.gz HJQBZEUAPXHNJA-UHFFFAOYSA-N 0 3 318.337 0.965 20 5 DCBDHN CNC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090548736 185302311 /nfs/dbraw/zinc/30/23/11/185302311.db2.gz GJBLDCNMWKEOCZ-NSHDSACASA-N 0 3 308.338 0.215 20 5 DCBDHN C[C@@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000177096708 198665390 /nfs/dbraw/zinc/66/53/90/198665390.db2.gz QSJOCCXFAGIQRX-MNOVXSKESA-N 0 3 307.354 0.923 20 5 DCBDHN COC(=O)CNC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180421708 199156755 /nfs/dbraw/zinc/15/67/55/199156755.db2.gz KMESMWMDJKMMJG-JTQLQIEISA-N 0 3 309.322 0.925 20 5 DCBDHN N[C@@H]1C[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496169 291308612 /nfs/dbraw/zinc/30/86/12/291308612.db2.gz PFBAHRYNBOLLFD-NWDGAFQWSA-N 0 3 320.349 0.217 20 5 DCBDHN Cc1ccc(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000566491790 291307720 /nfs/dbraw/zinc/30/77/20/291307720.db2.gz ZCCCEACUDUYBIT-OLZOCXBDSA-N 0 3 304.350 0.647 20 5 DCBDHN CN1CCC[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569332511 291473466 /nfs/dbraw/zinc/47/34/66/291473466.db2.gz UFHVQLRRRLUNHH-RYUDHWBXSA-N 0 3 323.349 0.545 20 5 DCBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1O ZINC000569352596 291475400 /nfs/dbraw/zinc/47/54/00/291475400.db2.gz WKKKCVQSDBZKHB-LBPRGKRZSA-N 0 3 322.321 0.656 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000020016513 182178387 /nfs/dbraw/zinc/17/83/87/182178387.db2.gz JKFXWNHTSWPILM-UHFFFAOYSA-N 0 3 315.351 0.634 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]CC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000063170831 184275746 /nfs/dbraw/zinc/27/57/46/184275746.db2.gz BJNQZOUASAUYDB-MRVPVSSYSA-N 0 3 303.340 0.619 20 5 DCBDHN CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000270743201 395803259 /nfs/dbraw/zinc/80/32/59/395803259.db2.gz AMSLDXANUPJEQV-GHMZBOCLSA-N 0 3 313.383 0.295 20 5 DCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1CCN(C)CC1 ZINC000055194010 395913863 /nfs/dbraw/zinc/91/38/63/395913863.db2.gz RFNOHHIWPLDIDE-UHFFFAOYSA-N 0 3 321.381 0.666 20 5 DCBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000171127588 396108238 /nfs/dbraw/zinc/10/82/38/396108238.db2.gz AIUDAAJXDGKYPF-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN CCN(CCO)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000183993328 396279895 /nfs/dbraw/zinc/27/98/95/396279895.db2.gz NFNZOOGIYAINIA-UHFFFAOYSA-N 0 3 310.354 0.529 20 5 DCBDHN O=C1NC(=O)C2(CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)N1 ZINC000283152881 396312512 /nfs/dbraw/zinc/31/25/12/396312512.db2.gz ONTRKUQJQZIHPH-UHFFFAOYSA-N 0 3 322.296 0.908 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)C[C@H]1CO ZINC000186548421 396352780 /nfs/dbraw/zinc/35/27/80/396352780.db2.gz TZJCXHZYTLHITB-STQMWFEESA-N 0 3 323.349 0.659 20 5 DCBDHN CC[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269050509 396382911 /nfs/dbraw/zinc/38/29/11/396382911.db2.gz BUVUZKXJZACVJB-ZDUSSCGKSA-N 0 3 320.349 0.617 20 5 DCBDHN C[C@H](C[S@](C)=O)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580184384 396491670 /nfs/dbraw/zinc/49/16/70/396491670.db2.gz XUSZTSKQSOPIPQ-XYQMPLONSA-N 0 3 316.379 0.691 20 5 DCBDHN CN1CC[C@@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292307038 396543789 /nfs/dbraw/zinc/54/37/89/396543789.db2.gz SGGHVTCDWJPOCJ-OAHLLOKOSA-N 0 3 320.349 0.311 20 5 DCBDHN CCCN1CC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000595568587 396632515 /nfs/dbraw/zinc/63/25/15/396632515.db2.gz XAKPDEPSEMKLRW-LLVKDONJSA-N 0 3 310.358 0.575 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000563431924 396732927 /nfs/dbraw/zinc/73/29/27/396732927.db2.gz OGNZRPBHPWMMBU-KOLCDFICSA-N 0 3 306.322 0.352 20 5 DCBDHN C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000590608612 396815642 /nfs/dbraw/zinc/81/56/42/396815642.db2.gz UTGOPZJPFIEJOZ-SWHYSGLUSA-N 0 3 322.365 0.972 20 5 DCBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CNCCO1)OCCO2 ZINC000591284792 396893620 /nfs/dbraw/zinc/89/36/20/396893620.db2.gz KOSNNFCWOYEDMT-NSHDSACASA-N 0 3 309.322 0.444 20 5 DCBDHN COC1CCN(CCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000611599947 396894740 /nfs/dbraw/zinc/89/47/40/396894740.db2.gz ULTNGSOPIZZGDA-UHFFFAOYSA-N 0 3 323.353 0.644 20 5 DCBDHN Cn1ccc(CCNC[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000591760071 396998926 /nfs/dbraw/zinc/99/89/26/396998926.db2.gz CDNHWUUPVCTDAB-ZDUSSCGKSA-N 0 3 320.349 0.900 20 5 DCBDHN C[C@H](C(=O)N[C@@H](CO)CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597653484 397045035 /nfs/dbraw/zinc/04/50/35/397045035.db2.gz JPBSDNCBOYGKCU-VHSXEESVSA-N 0 3 313.329 0.876 20 5 DCBDHN CC(C)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1 ZINC000598569105 397249606 /nfs/dbraw/zinc/24/96/06/397249606.db2.gz AHKGAFCDMPIHEM-LBPRGKRZSA-N 0 3 308.338 0.213 20 5 DCBDHN C[C@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N(C)C ZINC000598586286 397250657 /nfs/dbraw/zinc/25/06/57/397250657.db2.gz DRLNNEXZZYNNCG-SNVBAGLBSA-N 0 3 310.358 0.583 20 5 DCBDHN Nc1nc(N)nc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000599058744 397329348 /nfs/dbraw/zinc/32/93/48/397329348.db2.gz FSYLZWPUJZFQOB-UHFFFAOYSA-N 0 3 301.310 0.774 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1CN1CCOCC1 ZINC000602779390 397482638 /nfs/dbraw/zinc/48/26/38/397482638.db2.gz GAVGKXSXPNBXLB-AWEZNQCLSA-N 0 3 323.397 0.896 20 5 DCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC)CCN ZINC000599891806 397535701 /nfs/dbraw/zinc/53/57/01/397535701.db2.gz QDMFADPYORSMAN-UHFFFAOYSA-N 0 3 308.338 0.903 20 5 DCBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000124931028 158249193 /nfs/dbraw/zinc/24/91/93/158249193.db2.gz YNXZQFYJXFZUSK-UHFFFAOYSA-N 0 3 312.395 0.976 20 5 DCBDHN NC(=O)c1ccc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000316982162 159003834 /nfs/dbraw/zinc/00/38/34/159003834.db2.gz DCBZOQVEZFNNTD-ZKYQVNSYSA-N 0 3 305.334 0.896 20 5 DCBDHN CNc1c(C(=O)NCCOCCN(C)C)cccc1[N+](=O)[O-] ZINC000318823295 159007083 /nfs/dbraw/zinc/00/70/83/159007083.db2.gz KHUZXVHBLIKNLW-UHFFFAOYSA-N 0 3 310.354 0.945 20 5 DCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cnc2c(c1)CNCC2 ZINC000367358529 159333332 /nfs/dbraw/zinc/33/33/32/159333332.db2.gz LPVHIPZEHUMZBD-UHFFFAOYSA-N 0 3 316.321 0.861 20 5 DCBDHN CN(C)CCN(CCN(C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000133341573 287009947 /nfs/dbraw/zinc/00/99/47/287009947.db2.gz HYBUVRMJDBRWBD-UHFFFAOYSA-N 0 3 324.385 0.947 20 5 DCBDHN C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCN1 ZINC000420342161 287292722 /nfs/dbraw/zinc/29/27/22/287292722.db2.gz WUOZJVQNERQQPO-BXUZGUMPSA-N 0 3 304.350 0.994 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000268146263 415165910 /nfs/dbraw/zinc/16/59/10/415165910.db2.gz FDDQZUNDVIHAED-ZWNOBZJWSA-N 0 3 320.349 0.355 20 5 DCBDHN CCN1CCN([C@H]2CCN(Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000332138767 415265979 /nfs/dbraw/zinc/26/59/79/415265979.db2.gz LVKVMMBFFFLAKG-ZDUSSCGKSA-N 0 3 322.413 0.540 20 5 DCBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1COC[C@@H]1O ZINC000352816217 415333286 /nfs/dbraw/zinc/33/32/86/415333286.db2.gz NIGFHOYABAIRKR-STQMWFEESA-N 0 3 309.322 0.615 20 5 DCBDHN CN(CCc1ccncc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000121569185 415808769 /nfs/dbraw/zinc/80/87/69/415808769.db2.gz PUFIGZRMEHYWRN-CQSZACIVSA-N 0 3 305.338 0.722 20 5 DCBDHN COc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358072455 416188068 /nfs/dbraw/zinc/18/80/68/416188068.db2.gz ZNJDGJKDZLNTCL-CQSZACIVSA-N 0 3 309.322 0.400 20 5 DCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1CC(C)(C)O ZINC000189904854 416272572 /nfs/dbraw/zinc/27/25/72/416272572.db2.gz LDDYEPRHQOVEST-GFCCVEGCSA-N 0 3 311.386 0.568 20 5 DCBDHN CCc1n[nH]c(C(=O)NCC2(O)CCN(C)CC2)c1[N+](=O)[O-] ZINC000359367821 416344012 /nfs/dbraw/zinc/34/40/12/416344012.db2.gz XUZIHINDXWXTPO-UHFFFAOYSA-N 0 3 311.342 0.067 20 5 DCBDHN O=C(CNC[C@@H]1CCCO1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237899068 416329072 /nfs/dbraw/zinc/32/90/72/416329072.db2.gz DLZARSPFDMBQNP-AWEZNQCLSA-N 0 3 322.365 0.892 20 5 DCBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1N(C)C ZINC000360650146 416400910 /nfs/dbraw/zinc/40/09/10/416400910.db2.gz WYFZIDQHDHLRGF-NXEZZACHSA-N 0 3 313.383 0.446 20 5 DCBDHN Nc1nc(N2CCCN(C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000610489095 416658254 /nfs/dbraw/zinc/65/82/54/416658254.db2.gz APXIYJSXEIPFDH-LLVKDONJSA-N 0 3 322.369 0.658 20 5 DCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN(C)C ZINC000428983379 416939097 /nfs/dbraw/zinc/93/90/97/416939097.db2.gz VHUGCFPHBKKLCT-JTQLQIEISA-N 0 3 312.374 0.505 20 5 DCBDHN CN(C)CCN(Cc1ccccn1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000433430526 417270426 /nfs/dbraw/zinc/27/04/26/417270426.db2.gz KZYAWBBIOCUBDQ-UHFFFAOYSA-N 0 3 317.353 0.930 20 5 DCBDHN CC(C)N(C)CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457117808 417691053 /nfs/dbraw/zinc/69/10/53/417691053.db2.gz FYBLIENGNSFRJA-UHFFFAOYSA-N 0 3 321.381 0.979 20 5 DCBDHN NC[C@@H]1CCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418923462 262298731 /nfs/dbraw/zinc/29/87/31/262298731.db2.gz MSTQQWLFTYIKHW-ZDUSSCGKSA-N 0 3 320.349 0.203 20 5 DCBDHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419133665 262312564 /nfs/dbraw/zinc/31/25/64/262312564.db2.gz GGLNLVWJCXEZGV-ZJUUUORDSA-N 0 3 308.338 0.578 20 5 DCBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCCNC1 ZINC000420402435 262373923 /nfs/dbraw/zinc/37/39/23/262373923.db2.gz IVKPIZDAORUTQD-GFCCVEGCSA-N 0 3 313.379 0.809 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000492561460 272135320 /nfs/dbraw/zinc/13/53/20/272135320.db2.gz KGSNVYBKOOIFJX-NFAHFFEMSA-N 0 3 305.334 0.791 20 5 DCBDHN COC(=O)NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000496568444 272325587 /nfs/dbraw/zinc/32/55/87/272325587.db2.gz VEZALSXPPFWBAH-NSHDSACASA-N 0 3 313.310 0.280 20 5 DCBDHN CC(C)c1n[nH]c(C(=O)NC[C@@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000269889588 276041374 /nfs/dbraw/zinc/04/13/74/276041374.db2.gz KCIJSMFLEKGJEV-CYBMUJFWSA-N 0 3 313.358 0.484 20 5 DCBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)NCCN(C)C ZINC000552081465 288264025 /nfs/dbraw/zinc/26/40/25/288264025.db2.gz JVVMWPSIIPGOJF-QMMMGPOBSA-N 0 3 314.367 0.452 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000552436183 288275139 /nfs/dbraw/zinc/27/51/39/288275139.db2.gz QJIIFALPQAFDMP-KBPBESRZSA-N 0 3 307.350 0.661 20 5 DCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1csc([N+](=O)[O-])c1 ZINC000556849965 288399781 /nfs/dbraw/zinc/39/97/81/288399781.db2.gz LVRNLOKXTMAQQQ-ZDUSSCGKSA-N 0 3 311.363 0.843 20 5 DCBDHN CCN1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000580064436 332923449 /nfs/dbraw/zinc/92/34/49/332923449.db2.gz CXHJKLMHYZFEOL-YPMHNXCESA-N 0 3 323.349 0.545 20 5 DCBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)NC2CNC2)cc1[N+](=O)[O-] ZINC000582171492 335705957 /nfs/dbraw/zinc/70/59/57/335705957.db2.gz GTEGWZLNXZSFOG-SECBINFHSA-N 0 3 306.322 0.168 20 5 DCBDHN C[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161587968 524988862 /nfs/dbraw/zinc/98/88/62/524988862.db2.gz AJTPHSGLVGFWPM-SNVBAGLBSA-N 0 3 306.322 0.226 20 5 DCBDHN CC[N@@H+]1C[C@@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821240289 606731745 /nfs/dbraw/zinc/73/17/45/606731745.db2.gz FYOUBBLLEFINDW-LDYMZIIASA-N 0 3 318.341 0.922 20 5 DCBDHN CC[N@H+]1C[C@@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821240289 606731746 /nfs/dbraw/zinc/73/17/46/606731746.db2.gz FYOUBBLLEFINDW-LDYMZIIASA-N 0 3 318.341 0.922 20 5 DCBDHN CC[N@@H+]1C[C@@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821240289 606731747 /nfs/dbraw/zinc/73/17/47/606731747.db2.gz FYOUBBLLEFINDW-LDYMZIIASA-N 0 3 318.341 0.922 20 5 DCBDHN CC[N@H+]1C[C@@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821240289 606731748 /nfs/dbraw/zinc/73/17/48/606731748.db2.gz FYOUBBLLEFINDW-LDYMZIIASA-N 0 3 318.341 0.922 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1N1CCC(CN2CCOCC2)CC1 ZINC000891860863 657834660 /nfs/dbraw/zinc/83/46/60/657834660.db2.gz JJUPKLFIFHJEBT-UHFFFAOYSA-N 0 3 309.370 0.877 20 5 DCBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000725895551 659260263 /nfs/dbraw/zinc/26/02/63/659260263.db2.gz HACDOXUYLVYAGB-VHSXEESVSA-N 0 3 309.326 0.219 20 5 DCBDHN CC(C)(CCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)[N+](=O)[O-] ZINC000889751737 662031895 /nfs/dbraw/zinc/03/18/95/662031895.db2.gz RYFGEPAKMUAIPO-STQMWFEESA-N 0 3 313.398 0.880 20 5 DCBDHN COc1ccc([C@@H](CNCC[N+](=O)[O-])N2CCOCC2)cc1 ZINC000899860304 663194421 /nfs/dbraw/zinc/19/44/21/663194421.db2.gz QUWIPRGQDGPXKM-OAHLLOKOSA-N 0 3 309.366 0.935 20 5 DCBDHN Cc1nn(CN2CC[C@H]3[C@H]2CCCN3CCO)c(C)c1[N+](=O)[O-] ZINC000902645715 663425749 /nfs/dbraw/zinc/42/57/49/663425749.db2.gz YGWKIYSEGOOQDL-KGLIPLIRSA-N 0 3 323.397 0.897 20 5 DCBDHN O=C(c1ccccc1)N1C[C@@H](CNCC[N+](=O)[O-])N2CC[C@H]1C2 ZINC000905189256 663537263 /nfs/dbraw/zinc/53/72/63/663537263.db2.gz GZHGMVYPDYANFT-LSDHHAIUSA-N 0 3 318.377 0.452 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2nncs2)CC1 ZINC000996439141 666785476 /nfs/dbraw/zinc/78/54/76/666785476.db2.gz CDJLZXNBAWCRFD-NXEZZACHSA-N 0 3 311.367 0.284 20 5 DCBDHN Cc1nn(C)c(N2CCC(N3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000866214179 667368674 /nfs/dbraw/zinc/36/86/74/667368674.db2.gz LMNSAKGBXCNJKH-UHFFFAOYSA-N 0 3 322.413 0.853 20 5 DCBDHN CN(C)C[C@@H]1NC(=O)N(CCc2ccccc2[N+](=O)[O-])C1=O ZINC000924702879 668230906 /nfs/dbraw/zinc/23/09/06/668230906.db2.gz VNWQCAPWCDRPQT-NSHDSACASA-N 0 3 306.322 0.619 20 5 DCBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000764272263 668441839 /nfs/dbraw/zinc/44/18/39/668441839.db2.gz FCUXVZCSBFOOIL-NSHDSACASA-N 0 3 323.353 0.691 20 5 DCBDHN COC(=O)C[C@]1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000767033094 668556831 /nfs/dbraw/zinc/55/68/31/668556831.db2.gz SPFPUCYPWCUBFB-DZGCQCFKSA-N 0 3 324.333 0.940 20 5 DCBDHN COC(=O)c1ccc(OC(=O)C2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000774479615 668835293 /nfs/dbraw/zinc/83/52/93/668835293.db2.gz RACWBQNOSRHBSS-JTQLQIEISA-N 0 3 322.273 0.765 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000934572509 669616627 /nfs/dbraw/zinc/61/66/27/669616627.db2.gz AXSHXDZDADUSHS-JOYOIKCWSA-N 0 3 307.354 0.699 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000716729901 670271429 /nfs/dbraw/zinc/27/14/29/670271429.db2.gz JOOWBAZUGYIWMJ-VIFPVBQESA-N 0 3 301.730 0.901 20 5 DCBDHN CC(COC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)[N+](=O)[O-] ZINC000813107297 670612044 /nfs/dbraw/zinc/61/20/44/670612044.db2.gz OUYQEMVOVLRHGL-HTQZYQBOSA-N 0 3 322.364 0.623 20 5 DCBDHN CC(COC(=O)CCn1cnc2ccccc2c1=O)[N+](=O)[O-] ZINC000813112380 670612635 /nfs/dbraw/zinc/61/26/35/670612635.db2.gz GIIVUUCJQZCLJG-JTQLQIEISA-N 0 3 305.290 0.995 20 5 DCBDHN CNC(=O)COc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114818 670612737 /nfs/dbraw/zinc/61/27/37/670612737.db2.gz HGXMQSQVZUZFQK-JTQLQIEISA-N 0 3 310.306 0.562 20 5 DCBDHN CC(COC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)[N+](=O)[O-] ZINC000813113284 670612826 /nfs/dbraw/zinc/61/28/26/670612826.db2.gz PBYDLPQDCQXVQZ-SECBINFHSA-N 0 3 321.289 0.701 20 5 DCBDHN Cc1nc2ncnn2c(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112407 670613325 /nfs/dbraw/zinc/61/33/25/670613325.db2.gz GLZARYDTIMZQHW-QMMMGPOBSA-N 0 3 307.310 0.882 20 5 DCBDHN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)OCC(C)[N+](=O)[O-] ZINC000851036942 670963037 /nfs/dbraw/zinc/96/30/37/670963037.db2.gz OBCHLBSEHXTBPL-WCBMZHEXSA-N 0 3 308.356 0.301 20 5 DCBDHN O=C1[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1CCO ZINC000843105850 672062299 /nfs/dbraw/zinc/06/22/99/672062299.db2.gz XWEQCUAHUYKHNP-UONOGXRCSA-N 0 3 323.349 0.201 20 5 DCBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000844040255 672141828 /nfs/dbraw/zinc/14/18/28/672141828.db2.gz UPSHIKDRXHSQCR-LLVKDONJSA-N 0 3 314.386 0.400 20 5 DCBDHN Cc1nn(CN2CC[C@H]3[C@@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000902641711 685458247 /nfs/dbraw/zinc/45/82/47/685458247.db2.gz AEUWMLYTQCWFGK-STQMWFEESA-N 0 3 309.370 0.588 20 5 DCBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001566177704 1159970844 /nfs/dbraw/zinc/97/08/44/1159970844.db2.gz WNZZPMWAEKETDJ-UHFFFAOYSA-N 0 3 319.325 0.204 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ocnc1C ZINC001567425577 1160361133 /nfs/dbraw/zinc/36/11/33/1160361133.db2.gz UKLSKPFOSAZDCU-VXGBXAGGSA-N 0 3 310.354 0.976 20 5 DCBDHN O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)C[C@H]2CNCCO2)c1 ZINC001574441056 1163726104 /nfs/dbraw/zinc/72/61/04/1163726104.db2.gz LOQXEMLYSSGCHQ-LLVKDONJSA-N 0 3 320.298 0.431 20 5 DCBDHN CNC(=O)c1ccc(N2CCN[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001578562313 1165062079 /nfs/dbraw/zinc/06/20/79/1165062079.db2.gz BVIWEUSVKLPGHQ-LLVKDONJSA-N 0 3 308.338 0.115 20 5 DCBDHN CN(CCC[NH+](C)C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591018055 1167081801 /nfs/dbraw/zinc/08/18/01/1167081801.db2.gz WMAKDZOANOXEGH-UHFFFAOYSA-N 0 3 306.330 0.558 20 5 DCBDHN CN(CCC[NH+](C)C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591018055 1167081809 /nfs/dbraw/zinc/08/18/09/1167081809.db2.gz WMAKDZOANOXEGH-UHFFFAOYSA-N 0 3 306.330 0.558 20 5 DCBDHN C[NH+](C)[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604678890 1169653539 /nfs/dbraw/zinc/65/35/39/1169653539.db2.gz CZACPCLIHNWHEM-JTQLQIEISA-N 0 3 318.341 0.700 20 5 DCBDHN C[NH+](C)[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604678890 1169653542 /nfs/dbraw/zinc/65/35/42/1169653542.db2.gz CZACPCLIHNWHEM-JTQLQIEISA-N 0 3 318.341 0.700 20 5 DCBDHN CNC(=O)C1(NCCOc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001620586255 1171404175 /nfs/dbraw/zinc/40/41/75/1171404175.db2.gz PWWMYBOXERITPB-UHFFFAOYSA-N 0 3 323.349 0.858 20 5 DCBDHN COCC[C@H](CO)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001621283465 1171409116 /nfs/dbraw/zinc/40/91/16/1171409116.db2.gz UJMFADBGTKXZSU-SNVBAGLBSA-N 0 3 300.311 0.796 20 5 DCBDHN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC(N[C@H]2CCOC2)C1 ZINC001635940931 1171718005 /nfs/dbraw/zinc/71/80/05/1171718005.db2.gz ITPSKIWYDCHPGZ-LURJTMIESA-N 0 3 315.717 0.174 20 5 DCBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CC(N[C@@H]2CCOC2)C1 ZINC001635942885 1171718539 /nfs/dbraw/zinc/71/85/39/1171718539.db2.gz ZZHXMFHQBYUGPJ-LLVKDONJSA-N 0 3 320.349 0.596 20 5 DCBDHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641856929 1171930763 /nfs/dbraw/zinc/93/07/63/1171930763.db2.gz HQEAJMAIKKSMBG-OCCSQVGLSA-N 0 3 323.349 0.201 20 5 DCBDHN CN(CCO)CCN(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001647836403 1173057200 /nfs/dbraw/zinc/05/72/00/1173057200.db2.gz KPSBIMBXIMMEIJ-CYBMUJFWSA-N 0 3 311.338 0.011 20 5 DCBDHN CCN(C)[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC001657489821 1173911876 /nfs/dbraw/zinc/91/18/76/1173911876.db2.gz WLKPSWAMFUXYBT-SNVBAGLBSA-N 0 3 314.367 0.705 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C1CCS(=O)CC1 ZINC001167686632 747589605 /nfs/dbraw/zinc/58/96/05/747589605.db2.gz TUQZGVVFLGNZMA-UHFFFAOYSA-N 0 3 300.384 0.943 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H](C)[C@H]1CNCCO1 ZINC001170572066 763875794 /nfs/dbraw/zinc/87/57/94/763875794.db2.gz GPKPGOUIEJUYBX-GZMMTYOYSA-N 0 3 310.310 0.565 20 5 DCBDHN Cn1cc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)cn1 ZINC001124608505 768269649 /nfs/dbraw/zinc/26/96/49/768269649.db2.gz WVBSHSXFVJYKJL-UHFFFAOYSA-N 0 3 317.349 0.777 20 5 DCBDHN Cc1c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)nnn1C ZINC001125169487 768366309 /nfs/dbraw/zinc/36/63/09/768366309.db2.gz COYJMHZOJLBDGT-UHFFFAOYSA-N 0 3 318.337 0.551 20 5 DCBDHN CN1CCC(CCO)(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC001153333750 769789770 /nfs/dbraw/zinc/78/97/70/769789770.db2.gz VCSGEQHJUFHDQY-UHFFFAOYSA-N 0 3 323.353 0.149 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001159488625 771918145 /nfs/dbraw/zinc/91/81/45/771918145.db2.gz FFPQCWBXBSCGLF-KWQFWETISA-N 0 3 310.310 0.565 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cc(F)c[nH]1 ZINC001162724451 772411262 /nfs/dbraw/zinc/41/12/62/772411262.db2.gz PAQCGDYBLPEGCK-UHFFFAOYSA-N 0 3 324.316 0.705 20 5 DCBDHN Cc1nnc(CNCC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001164490445 772668182 /nfs/dbraw/zinc/66/81/82/772668182.db2.gz JXXZMJTYVNUDMP-GHMZBOCLSA-N 0 3 323.353 0.419 20 5 DCBDHN COc1c([O-])ccc(C[NH2+]CC[C@@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC001207485361 773216986 /nfs/dbraw/zinc/21/69/86/773216986.db2.gz QANHICZVKFNOCT-VIFPVBQESA-N 0 3 309.322 0.925 20 5 DCBDHN COc1ccnc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001483732313 942772517 /nfs/dbraw/zinc/77/25/17/942772517.db2.gz GKQXOFFKLAEESL-CHWSQXEVSA-N 0 3 320.349 0.494 20 5 DCBDHN Cc1nccnc1CN(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001484742191 943543938 /nfs/dbraw/zinc/54/39/38/943543938.db2.gz SIPFTTFSQDDKDI-TZMCWYRMSA-N 0 3 321.381 0.731 20 5 DCBDHN C[C@H](NC(=O)[C@H](C)N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254588341 946412907 /nfs/dbraw/zinc/41/29/07/946412907.db2.gz DLTVIOAUDZPTMQ-HOTUBEGUSA-N 0 3 320.349 0.030 20 5 DCBDHN CN(C)[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC1 ZINC001322844014 946832914 /nfs/dbraw/zinc/83/29/14/946832914.db2.gz CIYWNOSQDMCPEF-LLVKDONJSA-N 0 3 308.338 0.213 20 5 DCBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1COC2(CNC2)C1 ZINC001263155638 947813881 /nfs/dbraw/zinc/81/38/81/947813881.db2.gz AZVJCVHMTLBWQR-SNVBAGLBSA-N 0 3 323.374 0.934 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC001325707209 947890202 /nfs/dbraw/zinc/89/02/02/947890202.db2.gz KOMWIXYWSIVTJR-NSHDSACASA-N 0 3 324.385 0.084 20 5 DCBDHN C[C@@H]1[C@H](N(C)C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001327915851 948662651 /nfs/dbraw/zinc/66/26/51/948662651.db2.gz DVIALBYIZKDXFW-GHMZBOCLSA-N 0 3 308.338 0.308 20 5 DCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)CCO ZINC001332212152 951522402 /nfs/dbraw/zinc/52/24/02/951522402.db2.gz BMJKUTMWSKESEW-UHFFFAOYSA-N 0 3 310.354 0.633 20 5 DCBDHN CN1CCNC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001341805597 953251226 /nfs/dbraw/zinc/25/12/26/953251226.db2.gz LOIIAMBZTXSZPK-OAHLLOKOSA-N 0 3 318.377 0.989 20 5 DCBDHN C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC001477127165 1017255376 /nfs/dbraw/zinc/25/53/76/1017255376.db2.gz GAFYOUIFLKMLKY-GZMMTYOYSA-N 0 3 321.337 0.908 20 5 DCBDHN CC[C@@H]1CN(CC)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835118 1012428741 /nfs/dbraw/zinc/42/87/41/1012428741.db2.gz AKLDROZSRBPYMP-OCCSQVGLSA-N 0 3 311.386 0.568 20 5 DCBDHN C[C@H]1[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1C ZINC001612939397 1171365493 /nfs/dbraw/zinc/36/54/93/1171365493.db2.gz CHMAUODMQVSLQV-WPRPVWTQSA-N 0 3 314.367 0.747 20 5 DCBDHN COC(=O)C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000179239773 199003090 /nfs/dbraw/zinc/00/30/90/199003090.db2.gz JYDLXSKJSVSABS-NSHDSACASA-N 0 3 309.322 0.784 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000153270926 237015911 /nfs/dbraw/zinc/01/59/11/237015911.db2.gz XFRPJUKVZHICBG-CQSZACIVSA-N 0 3 311.338 0.402 20 5 DCBDHN COCCN(CCN(C)C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000566272780 291290158 /nfs/dbraw/zinc/29/01/58/291290158.db2.gz KYCCVKONWFRGNM-UHFFFAOYSA-N 0 3 310.354 0.827 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cnc3n2CCCC3)c1 ZINC000567708011 291371587 /nfs/dbraw/zinc/37/15/87/291371587.db2.gz HITRWHIJBUCLTQ-ZDUSSCGKSA-N 0 3 320.353 0.475 20 5 DCBDHN CCN1CCN(CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000042591651 183288931 /nfs/dbraw/zinc/28/89/31/183288931.db2.gz NROOWCCFMCBYRW-UHFFFAOYSA-N 0 3 320.393 0.891 20 5 DCBDHN CN(C)C/C=C/C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000271654711 209097700 /nfs/dbraw/zinc/09/77/00/209097700.db2.gz LIXVMLKWOCQJBT-PRXHZCDDSA-N 0 3 323.349 0.223 20 5 DCBDHN CNC(=O)CN1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037562859 395727740 /nfs/dbraw/zinc/72/77/40/395727740.db2.gz BMUMEBWUQRFIJU-UHFFFAOYSA-N 0 3 312.395 0.956 20 5 DCBDHN Cc1ccc(CNCCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000220725578 395849425 /nfs/dbraw/zinc/84/94/25/395849425.db2.gz RGYDYFXEQWHSFZ-UHFFFAOYSA-N 0 3 301.368 0.932 20 5 DCBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCN(C)C ZINC000282340347 396282221 /nfs/dbraw/zinc/28/22/21/396282221.db2.gz DRCNXWXMPHPJRF-UHFFFAOYSA-N 0 3 312.301 0.659 20 5 DCBDHN CN(C)CCN1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000079884803 396271870 /nfs/dbraw/zinc/27/18/70/396271870.db2.gz UWTLMUMULTZSNW-UHFFFAOYSA-N 0 3 309.374 0.405 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269047691 396382588 /nfs/dbraw/zinc/38/25/88/396382588.db2.gz PFOBWPLDRNJFGF-GWCFXTLKSA-N 0 3 322.369 0.573 20 5 DCBDHN O=C([C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000287581170 396410052 /nfs/dbraw/zinc/41/00/52/396410052.db2.gz XUPNZANHRSDSAK-LBPRGKRZSA-N 0 3 307.354 0.736 20 5 DCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1(CO)CCOCC1 ZINC000191032473 396414689 /nfs/dbraw/zinc/41/46/89/396414689.db2.gz WAAANRGQGPHVIN-UHFFFAOYSA-N 0 3 311.338 0.230 20 5 DCBDHN NC[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000563156256 396709730 /nfs/dbraw/zinc/70/97/30/396709730.db2.gz KCXIPGWIEWYDOE-GFCCVEGCSA-N 0 3 322.365 0.780 20 5 DCBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000610925107 396784459 /nfs/dbraw/zinc/78/44/59/396784459.db2.gz OLBOGVJFHGZIGM-LLVKDONJSA-N 0 3 308.338 0.906 20 5 DCBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000563433638 396734364 /nfs/dbraw/zinc/73/43/64/396734364.db2.gz PHZUMUBFBHIDPW-MWLCHTKSSA-N 0 3 308.313 0.791 20 5 DCBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)NC1CNC1 ZINC000563616342 396760673 /nfs/dbraw/zinc/76/06/73/396760673.db2.gz RBFAQVUUQXNILA-UHFFFAOYSA-N 0 3 320.349 0.122 20 5 DCBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NCCN1CC[C@@H](O)C1 ZINC000600531157 396885541 /nfs/dbraw/zinc/88/55/41/396885541.db2.gz DSPXEDGYSAJETQ-CQSZACIVSA-N 0 3 307.350 0.710 20 5 DCBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000570955408 396940870 /nfs/dbraw/zinc/94/08/70/396940870.db2.gz MHDIFJCHVOVJTJ-LBPRGKRZSA-N 0 3 307.310 0.346 20 5 DCBDHN C[C@H](CO)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612030347 396984189 /nfs/dbraw/zinc/98/41/89/396984189.db2.gz GJCSVVYZEZSLEH-JTQLQIEISA-N 0 3 302.352 0.587 20 5 DCBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377593228 397107485 /nfs/dbraw/zinc/10/74/85/397107485.db2.gz MJCXTRYGUJTCBQ-NXEZZACHSA-N 0 3 323.353 0.473 20 5 DCBDHN CN1CCC[C@@H](N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C1 ZINC000619787783 397192229 /nfs/dbraw/zinc/19/22/29/397192229.db2.gz UGUCFLQBOAIUOM-LLVKDONJSA-N 0 3 322.369 0.170 20 5 DCBDHN CN(C)CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598894845 397304511 /nfs/dbraw/zinc/30/45/11/397304511.db2.gz TXLXJNGTZODTCY-UHFFFAOYSA-N 0 3 309.326 0.394 20 5 DCBDHN CN1C[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000574392795 397261988 /nfs/dbraw/zinc/26/19/88/397261988.db2.gz HCWGBNGVQRSQFZ-WDEREUQCSA-N 0 3 309.322 0.155 20 5 DCBDHN COC(=O)[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C1CC1 ZINC000593128272 397331739 /nfs/dbraw/zinc/33/17/39/397331739.db2.gz CPFSDLJAMCZPQP-QWHCGFSZSA-N 0 3 308.338 0.922 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC(N3CCOCC3)CC2)n1 ZINC000599474319 397452463 /nfs/dbraw/zinc/45/24/63/397452463.db2.gz OGYCKJAEZPHDTQ-UHFFFAOYSA-N 0 3 309.370 0.588 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593548642 397389340 /nfs/dbraw/zinc/38/93/40/397389340.db2.gz QAECXLAOUYHUAB-AWEZNQCLSA-N 0 3 313.329 0.705 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)CN1CCOCC1 ZINC000602819405 397494998 /nfs/dbraw/zinc/49/49/98/397494998.db2.gz AXHLQUDGMXMZJA-LBPRGKRZSA-N 0 3 311.386 0.752 20 5 DCBDHN CN(C)C/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000491883962 397505351 /nfs/dbraw/zinc/50/53/51/397505351.db2.gz LYWIXAIQJUJWCC-ONEGZZNKSA-N 0 3 319.365 0.756 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCCOc2ccccc2F)c1 ZINC000579911175 397597462 /nfs/dbraw/zinc/59/74/62/397597462.db2.gz PDETWNTUJBCEPC-GFCCVEGCSA-N 0 3 324.312 0.960 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000609674472 397789926 /nfs/dbraw/zinc/78/99/26/397789926.db2.gz GWIQFENCJBFMOW-LBPRGKRZSA-N 0 3 308.386 0.545 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](n3ccnc3)C2)c1 ZINC000610336519 397814795 /nfs/dbraw/zinc/81/47/95/397814795.db2.gz VCSOJKQIBAZLQL-GXTWGEPZSA-N 0 3 320.353 0.686 20 5 DCBDHN CC[C@H]1CCCCN1CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000113196651 158145248 /nfs/dbraw/zinc/14/52/48/158145248.db2.gz NYPPLFXNQDABOH-NSHDSACASA-N 0 3 310.358 0.567 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000320777057 159010871 /nfs/dbraw/zinc/01/08/71/159010871.db2.gz LUKUSPFPLLUDBY-NEPJUHHUSA-N 0 3 320.349 0.770 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000368050084 159371691 /nfs/dbraw/zinc/37/16/91/159371691.db2.gz YPOHUGKVNFLIHK-MNOVXSKESA-N 0 3 320.349 0.770 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000408054604 160024343 /nfs/dbraw/zinc/02/43/43/160024343.db2.gz SWKFCNUJDNSPNT-QWRGUYRKSA-N 0 3 307.354 0.885 20 5 DCBDHN C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCN1 ZINC000420342162 287292662 /nfs/dbraw/zinc/29/26/62/287292662.db2.gz WUOZJVQNERQQPO-RISCZKNCSA-N 0 3 304.350 0.994 20 5 DCBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352394859 415162365 /nfs/dbraw/zinc/16/23/65/415162365.db2.gz VSPRDODQYAWKQR-UHFFFAOYSA-N 0 3 318.337 0.917 20 5 DCBDHN O=C(CN1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301177595 416075716 /nfs/dbraw/zinc/07/57/16/416075716.db2.gz GSTADDGZBHMUTB-UHFFFAOYSA-N 0 3 319.365 0.734 20 5 DCBDHN CC(C(=O)NCCNc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000298479698 416010447 /nfs/dbraw/zinc/01/04/47/416010447.db2.gz FQPYQAIRAGTGBP-VIFPVBQESA-N 0 3 315.351 0.556 20 5 DCBDHN CN(C)C(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345667613 416130495 /nfs/dbraw/zinc/13/04/95/416130495.db2.gz VQKXYGNXJSVIRJ-NSHDSACASA-N 0 3 307.354 0.954 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CNCCO1 ZINC000415501455 416345698 /nfs/dbraw/zinc/34/56/98/416345698.db2.gz MKXASOPLPSMXTJ-SNVBAGLBSA-N 0 3 310.310 0.713 20 5 DCBDHN NC[C@@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419035970 416396020 /nfs/dbraw/zinc/39/60/20/416396020.db2.gz FVXQJKLVHSGHNT-GFCCVEGCSA-N 0 3 320.349 0.107 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000556976405 416721748 /nfs/dbraw/zinc/72/17/48/416721748.db2.gz ORBHZLOWGLDASA-KBPBESRZSA-N 0 3 322.365 0.530 20 5 DCBDHN O=C(CCN1CC[C@H](CO)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558166776 416764502 /nfs/dbraw/zinc/76/45/02/416764502.db2.gz VNSDCNWQQURGIR-RISCZKNCSA-N 0 3 323.349 0.599 20 5 DCBDHN O=C(CNC[C@H]1CCCO1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521861041 417029575 /nfs/dbraw/zinc/02/95/75/417029575.db2.gz VGDRDAYUVYXFMN-CQSZACIVSA-N 0 3 323.349 0.858 20 5 DCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCCNS(C)(=O)=O ZINC000449057956 417117670 /nfs/dbraw/zinc/11/76/70/417117670.db2.gz FRSSAHFYQVMWGZ-SNVBAGLBSA-N 0 3 301.368 0.665 20 5 DCBDHN O=C1NCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000568483121 417141851 /nfs/dbraw/zinc/14/18/51/417141851.db2.gz GFQOPYSBYYCTPE-LBPRGKRZSA-N 0 3 319.365 0.638 20 5 DCBDHN CC(C)(C(=O)N[C@H]1CNCCC1(F)F)n1cc([N+](=O)[O-])cn1 ZINC000449661066 417162218 /nfs/dbraw/zinc/16/22/18/417162218.db2.gz HRKUZDACNFVMPW-VIFPVBQESA-N 0 3 317.296 0.640 20 5 DCBDHN CC(C)(C(=O)N[C@@H]1CNCCC1(F)F)n1cc([N+](=O)[O-])cn1 ZINC000449661055 417159836 /nfs/dbraw/zinc/15/98/36/417159836.db2.gz HRKUZDACNFVMPW-SECBINFHSA-N 0 3 317.296 0.640 20 5 DCBDHN C[C@H](NC[C@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451100073 417299324 /nfs/dbraw/zinc/29/93/24/417299324.db2.gz PTQLDPXLARIDFR-WFASDCNBSA-N 0 3 309.366 0.939 20 5 DCBDHN COc1cc(CNC[C@H]2CNCCN2C)c([N+](=O)[O-])cc1OC ZINC000414959988 417317412 /nfs/dbraw/zinc/31/74/12/417317412.db2.gz GMXOCQNDSUQBIM-GFCCVEGCSA-N 0 3 324.381 0.605 20 5 DCBDHN O=C1NC(=O)[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000451625088 417367358 /nfs/dbraw/zinc/36/73/58/417367358.db2.gz OWINFNAUSFRLBR-AOOOYVTPSA-N 0 3 305.290 0.178 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1 ZINC000575329775 417528165 /nfs/dbraw/zinc/52/81/65/417528165.db2.gz QMIONCPVYRRELP-LLVKDONJSA-N 0 3 322.365 0.699 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCSC[C@H]2C2CC2)c1 ZINC000576467313 417612201 /nfs/dbraw/zinc/61/22/01/417612201.db2.gz WQAXXCSQZORCSC-OLZOCXBDSA-N 0 3 312.395 0.980 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000354421237 261217444 /nfs/dbraw/zinc/21/74/44/261217444.db2.gz NWRBHAXKFYVYSU-JTQLQIEISA-N 0 3 310.358 0.074 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000354421237 261217445 /nfs/dbraw/zinc/21/74/45/261217445.db2.gz NWRBHAXKFYVYSU-JTQLQIEISA-N 0 3 310.358 0.074 20 5 DCBDHN Cc1c(CC(=O)NC[C@@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000358053461 261621270 /nfs/dbraw/zinc/62/12/70/261621270.db2.gz IRBUEUGIMRDVNI-HNNXBMFYSA-N 0 3 307.350 0.629 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000358655971 271063180 /nfs/dbraw/zinc/06/31/80/271063180.db2.gz YUNQDWFJHABFEG-OAHLLOKOSA-N 0 3 322.365 0.503 20 5 DCBDHN CO[C@@H]1COC[C@@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459786601 272009060 /nfs/dbraw/zinc/00/90/60/272009060.db2.gz BUVCWVQFJUCCNX-UHIISALHSA-N 0 3 312.322 0.338 20 5 DCBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCO)CC3)nc2c1 ZINC000274840071 275037537 /nfs/dbraw/zinc/03/75/37/275037537.db2.gz OIAZRZIGEUJDBY-UHFFFAOYSA-N 0 3 305.338 0.976 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555290533 288348011 /nfs/dbraw/zinc/34/80/11/288348011.db2.gz MBAXXZWHVZLUIS-SNVBAGLBSA-N 0 3 310.358 0.074 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000563431926 288674308 /nfs/dbraw/zinc/67/43/08/288674308.db2.gz OGNZRPBHPWMMBU-ONGXEEELSA-N 0 3 306.322 0.352 20 5 DCBDHN CCc1ccccc1[C@@H](N)CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000564722774 288761876 /nfs/dbraw/zinc/76/18/76/288761876.db2.gz PZRYUOBCNRINKM-LBPRGKRZSA-N 0 3 318.337 0.565 20 5 DCBDHN N[C@H]1C[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577410610 341908749 /nfs/dbraw/zinc/90/87/49/341908749.db2.gz AEDHPJNOCYEGLF-RYUDHWBXSA-N 0 3 319.321 0.371 20 5 DCBDHN CN1CCC(O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266713582 523780968 /nfs/dbraw/zinc/78/09/68/523780968.db2.gz JRQJPSRPAHMMHO-UHFFFAOYSA-N 0 3 307.350 0.710 20 5 DCBDHN Cc1nonc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983649106 661997013 /nfs/dbraw/zinc/99/70/13/661997013.db2.gz NXGRPRGQIPQVHD-DNRKLUKYSA-N 0 3 309.326 0.028 20 5 DCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCO)C1CCN(C)CC1 ZINC000911936171 664126755 /nfs/dbraw/zinc/12/67/55/664126755.db2.gz YBXGASDRVIFTBT-UHFFFAOYSA-N 0 3 322.365 0.827 20 5 DCBDHN COc1ccc(C(=O)N(C)CCN(C)CCO)cc1[N+](=O)[O-] ZINC000912611652 664195646 /nfs/dbraw/zinc/19/56/46/664195646.db2.gz SAQNKGMEXSOPIM-UHFFFAOYSA-N 0 3 311.338 0.600 20 5 DCBDHN CN(CCO)CCN(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000912612319 664195896 /nfs/dbraw/zinc/19/58/96/664195896.db2.gz NMNQHHJEKOPVHK-UHFFFAOYSA-N 0 3 311.338 0.356 20 5 DCBDHN Cc1c(CNC[C@@]2(CO)COCCN2C)cccc1[N+](=O)[O-] ZINC000922533833 666476672 /nfs/dbraw/zinc/47/66/72/666476672.db2.gz FFGPTQUEQADION-OAHLLOKOSA-N 0 3 309.366 0.686 20 5 DCBDHN Cc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000762720879 668374449 /nfs/dbraw/zinc/37/44/49/668374449.db2.gz FHQVVSCDBFOXSG-AWEZNQCLSA-N 0 3 308.338 0.282 20 5 DCBDHN CC(COC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)[N+](=O)[O-] ZINC000813105431 670612163 /nfs/dbraw/zinc/61/21/63/670612163.db2.gz ZGTLRLNJANYJSG-QMMMGPOBSA-N 0 3 317.323 0.154 20 5 DCBDHN Cc1c(C(=O)NC[C@@H]2CNCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818007594 670962220 /nfs/dbraw/zinc/96/22/20/670962220.db2.gz FEQQBIQVWLNBKF-JTQLQIEISA-N 0 3 324.293 0.530 20 5 DCBDHN O=C1[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1CCO ZINC000843105848 672061966 /nfs/dbraw/zinc/06/19/66/672061966.db2.gz XWEQCUAHUYKHNP-KBPBESRZSA-N 0 3 323.349 0.201 20 5 DCBDHN CC[NH+](CC)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590689682 1166974320 /nfs/dbraw/zinc/97/43/20/1166974320.db2.gz FVTVKEMHYQJTSK-UHFFFAOYSA-N 0 3 306.330 0.924 20 5 DCBDHN CC[NH+](CC)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590689682 1166974327 /nfs/dbraw/zinc/97/43/27/1166974327.db2.gz FVTVKEMHYQJTSK-UHFFFAOYSA-N 0 3 306.330 0.924 20 5 DCBDHN C[N@H+]1C[C@H]2CN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196217 1167145359 /nfs/dbraw/zinc/14/53/59/1167145359.db2.gz HTWWIHJYALLNCC-PHIMTYICSA-N 0 3 315.337 0.773 20 5 DCBDHN C[N@@H+]1C[C@H]2CN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196217 1167145365 /nfs/dbraw/zinc/14/53/65/1167145365.db2.gz HTWWIHJYALLNCC-PHIMTYICSA-N 0 3 315.337 0.773 20 5 DCBDHN C[N@H+]1C[C@H]2CN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196217 1167145368 /nfs/dbraw/zinc/14/53/68/1167145368.db2.gz HTWWIHJYALLNCC-PHIMTYICSA-N 0 3 315.337 0.773 20 5 DCBDHN C[N@@H+]1C[C@H]2CN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196217 1167145374 /nfs/dbraw/zinc/14/53/74/1167145374.db2.gz HTWWIHJYALLNCC-PHIMTYICSA-N 0 3 315.337 0.773 20 5 DCBDHN C[C@H]1[C@H](CO)CC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603834352 1169408032 /nfs/dbraw/zinc/40/80/32/1169408032.db2.gz JTOWBUVERNLOQC-UWVGGRQHSA-N 0 3 318.337 0.978 20 5 DCBDHN C[C@H]1[C@H](CO)CC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603834352 1169408033 /nfs/dbraw/zinc/40/80/33/1169408033.db2.gz JTOWBUVERNLOQC-UWVGGRQHSA-N 0 3 318.337 0.978 20 5 DCBDHN C[NH+](C)C[C@H](CO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604678027 1169653222 /nfs/dbraw/zinc/65/32/22/1169653222.db2.gz UJGLOTYVWUCQOW-SECBINFHSA-N 0 3 307.314 0.109 20 5 DCBDHN C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609114716 1170814263 /nfs/dbraw/zinc/81/42/63/1170814263.db2.gz SUIQKMQHBLLZQZ-IUCAKERBSA-N 0 3 306.326 0.881 20 5 DCBDHN COc1cc(C(=O)N[C@H](CO)CN2CCCC2)ccc1[N+](=O)[O-] ZINC001636962205 1171754096 /nfs/dbraw/zinc/75/40/96/1171754096.db2.gz KHJHDFVIRBZQMD-LBPRGKRZSA-N 0 3 323.349 0.790 20 5 DCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CN1CCO ZINC001659064045 1173929531 /nfs/dbraw/zinc/92/95/31/1173929531.db2.gz IQLCEGHDSKRNNZ-STQMWFEESA-N 0 3 324.381 0.143 20 5 DCBDHN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ncccn1 ZINC001664510528 1174437161 /nfs/dbraw/zinc/43/71/61/1174437161.db2.gz MWVILUNXJZPJLW-CHWSQXEVSA-N 0 3 321.381 0.859 20 5 DCBDHN Cc1nnc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001126907097 750101859 /nfs/dbraw/zinc/10/18/59/750101859.db2.gz GJWRWQZHDMQEDO-UHFFFAOYSA-N 0 3 318.337 0.470 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc(=O)[nH]n1 ZINC001123091320 767925952 /nfs/dbraw/zinc/92/59/52/767925952.db2.gz OZMANJQMZCBRSN-UHFFFAOYSA-N 0 3 317.305 0.610 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccncn1 ZINC001168804046 760463015 /nfs/dbraw/zinc/46/30/15/760463015.db2.gz FFOQAJNJHJEAPR-UHFFFAOYSA-N 0 3 319.325 0.028 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cnns1 ZINC001124164265 768155899 /nfs/dbraw/zinc/15/58/99/768155899.db2.gz VQUYRUPBZNHIOM-UHFFFAOYSA-N 0 3 307.335 0.966 20 5 DCBDHN O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@@H]2CNCCO2)c(F)c1 ZINC001580875904 1165748541 /nfs/dbraw/zinc/74/85/41/1165748541.db2.gz ULIKTYVAHLTKEL-VIFPVBQESA-N 0 3 320.298 0.431 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001231073630 769165087 /nfs/dbraw/zinc/16/50/87/769165087.db2.gz MDQWXHGAEYKENX-LLVKDONJSA-N 0 3 306.346 0.229 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231073630 769165095 /nfs/dbraw/zinc/16/50/95/769165095.db2.gz MDQWXHGAEYKENX-LLVKDONJSA-N 0 3 306.346 0.229 20 5 DCBDHN NC(=O)C[C@H](N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172907249 769514272 /nfs/dbraw/zinc/51/42/72/769514272.db2.gz RLJOZKOBDWLOJG-YPMHNXCESA-N 0 3 320.349 0.161 20 5 DCBDHN O=C(N[C@@H]1CCC[C@H]1N1CCC(O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001175181129 769876774 /nfs/dbraw/zinc/87/67/74/769876774.db2.gz RWIGAGHPLNOQAE-VXGBXAGGSA-N 0 3 323.353 0.426 20 5 DCBDHN Cc1cc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)no1 ZINC001154434224 770178919 /nfs/dbraw/zinc/17/89/19/770178919.db2.gz VPXONNGOHWORFM-UHFFFAOYSA-N 0 3 322.325 0.534 20 5 DCBDHN Cc1cc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)[nH]n1 ZINC001155191327 770425988 /nfs/dbraw/zinc/42/59/88/770425988.db2.gz HCXFUDWGHPAFLQ-UHFFFAOYSA-N 0 3 321.341 0.270 20 5 DCBDHN O=[N+]([O-])c1cc(F)cnc1NCc1nnn2c1CNCCC2 ZINC001155393531 770488992 /nfs/dbraw/zinc/48/89/92/770488992.db2.gz CEDCNHRNCVYCOV-UHFFFAOYSA-N 0 3 307.289 0.826 20 5 DCBDHN CNC(=O)CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001157012175 771518064 /nfs/dbraw/zinc/51/80/64/771518064.db2.gz UHQMVYZMTSUMJR-UHFFFAOYSA-N 0 3 314.367 0.388 20 5 DCBDHN Cc1nc(N2CCO[C@@H](CN3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158314901 771758093 /nfs/dbraw/zinc/75/80/93/771758093.db2.gz NPQFPHRMARIPSL-LBPRGKRZSA-N 0 3 307.354 0.994 20 5 DCBDHN O=[N+]([O-])c1cc[n+]([O-])cc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163650043 772552258 /nfs/dbraw/zinc/55/22/58/772552258.db2.gz JFUMIVCOVYQVAL-UONOGXRCSA-N 0 3 308.338 0.941 20 5 DCBDHN COC(=O)c1cnc(-n2ncc3c2CCNC3)c([N+](=O)[O-])c1 ZINC001165219470 772707439 /nfs/dbraw/zinc/70/74/39/772707439.db2.gz SPOTUERKSUOEFK-UHFFFAOYSA-N 0 3 303.278 0.608 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccnn1C ZINC001317540085 945037457 /nfs/dbraw/zinc/03/74/57/945037457.db2.gz FLHLPUAXBZWFOG-CHWSQXEVSA-N 0 3 309.370 0.414 20 5 DCBDHN Cc1n[nH]c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC001328828103 949119310 /nfs/dbraw/zinc/11/93/10/949119310.db2.gz QNPAXPCYIUCBKN-LLVKDONJSA-N 0 3 323.353 0.609 20 5 DCBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCOC2(CNC2)C1 ZINC001333755885 952146350 /nfs/dbraw/zinc/14/63/50/952146350.db2.gz WDDWXPTUZMRXBB-UTCJRWHESA-N 0 3 303.318 0.809 20 5 DCBDHN O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341368425 953226393 /nfs/dbraw/zinc/22/63/93/953226393.db2.gz MWWJQEAVDUDADO-YUTCNCBUSA-N 0 3 317.345 0.945 20 5 DCBDHN CN1CCNC[C@@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001343322938 953337536 /nfs/dbraw/zinc/33/75/36/953337536.db2.gz ONYDUADAAVXPFN-CYBMUJFWSA-N 0 3 306.366 0.850 20 5 DCBDHN Cc1ccc([C@@H](C)NC(=O)[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC001343337860 953338149 /nfs/dbraw/zinc/33/81/49/953338149.db2.gz WWBPUUKAJAXJKV-BXUZGUMPSA-N 0 3 306.366 0.984 20 5 DCBDHN CC(C)CCCN1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001282511189 953610098 /nfs/dbraw/zinc/61/00/98/953610098.db2.gz NRZAFDRGBBMOHL-CHWSQXEVSA-N 0 3 313.398 0.641 20 5 DCBDHN O=C(NCCCN(C(=O)c1ccn[nH]1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001283789030 954610640 /nfs/dbraw/zinc/61/06/40/954610640.db2.gz YAKQHBSTRHPQGZ-ZYHUDNBSSA-N 0 3 321.337 0.186 20 5 DCBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC001302246951 960017922 /nfs/dbraw/zinc/01/79/22/960017922.db2.gz HIMITIBJSNQUJD-VIFPVBQESA-N 0 3 323.353 0.147 20 5 DCBDHN C[C@@H]1[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC001303798407 960063567 /nfs/dbraw/zinc/06/35/67/960063567.db2.gz AUFDGDCFCQMSSQ-MFKMUULPSA-N 0 3 320.349 0.533 20 5 DCBDHN CN1C(=O)[C@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1=O ZINC001473725388 1016959115 /nfs/dbraw/zinc/95/91/15/1016959115.db2.gz OAEFSKUFUYXYSZ-XQQFMLRXSA-N 0 3 319.317 0.175 20 5 DCBDHN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC(N[C@@H]2CCOC2)C1 ZINC001558552276 1012364785 /nfs/dbraw/zinc/36/47/85/1012364785.db2.gz WLVASSFTHUZGGQ-RISCZKNCSA-N 0 3 321.333 0.218 20 5 DCBDHN CNC(=O)CCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181717760 199343606 /nfs/dbraw/zinc/34/36/06/199343606.db2.gz OVQYIIIDQLOPIP-LLVKDONJSA-N 0 3 311.338 0.402 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272680102 210086043 /nfs/dbraw/zinc/08/60/43/210086043.db2.gz KSWJOTMSTNYEED-JTQLQIEISA-N 0 3 307.354 0.866 20 5 DCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCN(C)C ZINC000080387925 192153806 /nfs/dbraw/zinc/15/38/06/192153806.db2.gz OWAROKFBVIZFDH-LLVKDONJSA-N 0 3 322.365 0.733 20 5 DCBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000163970921 291247022 /nfs/dbraw/zinc/24/70/22/291247022.db2.gz YHPJHSKUSWDCGN-SNVBAGLBSA-N 0 3 311.342 0.501 20 5 DCBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)COc2ccccc2F)c1 ZINC000567262137 291345905 /nfs/dbraw/zinc/34/59/05/291345905.db2.gz CLRWCDYGHLKKJX-GFCCVEGCSA-N 0 3 324.312 0.960 20 5 DCBDHN Cn1cncc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567378822 291351926 /nfs/dbraw/zinc/35/19/26/291351926.db2.gz SADOGOREBOJATF-LBPRGKRZSA-N 0 3 306.322 0.858 20 5 DCBDHN Cc1cccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000569021052 291459162 /nfs/dbraw/zinc/45/91/62/291459162.db2.gz NCUUPHDNZTWPTB-JQWIXIFHSA-N 0 3 318.333 0.287 20 5 DCBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000110018511 194304017 /nfs/dbraw/zinc/30/40/17/194304017.db2.gz KZRQOPQKCZRDEY-UHFFFAOYSA-N 0 3 310.354 0.897 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN(C2CCC2)CC1 ZINC000270567612 395784487 /nfs/dbraw/zinc/78/44/87/395784487.db2.gz MKQKFHXFCYJBMH-UHFFFAOYSA-N 0 3 306.366 0.927 20 5 DCBDHN CS[C@@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270795308 395809832 /nfs/dbraw/zinc/80/98/32/395809832.db2.gz VSXOTQLWWSXOHO-DTWKUNHWSA-N 0 3 313.383 0.744 20 5 DCBDHN CS[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270795308 395809834 /nfs/dbraw/zinc/80/98/34/395809834.db2.gz VSXOTQLWWSXOHO-DTWKUNHWSA-N 0 3 313.383 0.744 20 5 DCBDHN O=C(CCN1C[C@H](O)C[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000249287754 396005361 /nfs/dbraw/zinc/00/53/61/396005361.db2.gz JNFNXTGLMTUIKB-WDEREUQCSA-N 0 3 309.322 0.351 20 5 DCBDHN CCc1n[nH]c(C(=O)NCCCN(C)CCOC)c1[N+](=O)[O-] ZINC000171664852 396121404 /nfs/dbraw/zinc/12/14/04/396121404.db2.gz MUEMGMZHTSSGJB-UHFFFAOYSA-N 0 3 313.358 0.578 20 5 DCBDHN CCOc1ccc(NC(=O)CN2CCNCC2)c([N+](=O)[O-])c1 ZINC000261928845 396080153 /nfs/dbraw/zinc/08/01/53/396080153.db2.gz JDMJKPBWGDZOKR-UHFFFAOYSA-N 0 3 308.338 0.837 20 5 DCBDHN Cc1c([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000183306716 396266295 /nfs/dbraw/zinc/26/62/95/396266295.db2.gz NPHFMPNLVNOMOT-CABZTGNLSA-N 0 3 308.342 0.545 20 5 DCBDHN O=C(CCN1C[C@@H](O)C[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000186500229 396351285 /nfs/dbraw/zinc/35/12/85/396351285.db2.gz JNFNXTGLMTUIKB-QWRGUYRKSA-N 0 3 309.322 0.351 20 5 DCBDHN CN(C)CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000192821555 396438028 /nfs/dbraw/zinc/43/80/28/396438028.db2.gz QIBLBKSURUVEHU-UHFFFAOYSA-N 0 3 306.366 0.914 20 5 DCBDHN C[C@H](CCO)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581011812 396518861 /nfs/dbraw/zinc/51/88/61/396518861.db2.gz KDSCEBSJUUKQRK-LLVKDONJSA-N 0 3 316.379 0.977 20 5 DCBDHN N[C@@H]1C[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000594875975 396533490 /nfs/dbraw/zinc/53/34/90/396533490.db2.gz UOYIEMLKCYHSCN-JOYOIKCWSA-N 0 3 308.313 0.478 20 5 DCBDHN CN1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000584828601 396626927 /nfs/dbraw/zinc/62/69/27/396626927.db2.gz GGOZWUFPFCJZDE-CQSZACIVSA-N 0 3 321.381 0.422 20 5 DCBDHN CCCN1CC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000595568588 396632377 /nfs/dbraw/zinc/63/23/77/396632377.db2.gz XAKPDEPSEMKLRW-NSHDSACASA-N 0 3 310.358 0.575 20 5 DCBDHN CCN1CCN([C@@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)CC1 ZINC000596119943 396719693 /nfs/dbraw/zinc/71/96/93/396719693.db2.gz BRARUNQXGMTPNZ-GFCCVEGCSA-N 0 3 320.397 0.788 20 5 DCBDHN COC1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610571624 396730895 /nfs/dbraw/zinc/73/08/95/396730895.db2.gz KRAQRHLSTGQGGD-UHFFFAOYSA-N 0 3 311.342 0.018 20 5 DCBDHN CC(C)CO[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305044629 396734420 /nfs/dbraw/zinc/73/44/20/396734420.db2.gz KVSBWWRZHJFHEV-KGLIPLIRSA-N 0 3 312.370 0.899 20 5 DCBDHN NC(=O)c1cc(NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000596257483 396745527 /nfs/dbraw/zinc/74/55/27/396745527.db2.gz LAIOLNSAYCRSAU-GFCCVEGCSA-N 0 3 322.365 0.952 20 5 DCBDHN CN(C)C1(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000563621726 396762116 /nfs/dbraw/zinc/76/21/16/396762116.db2.gz BSWJOXRLEIOETF-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN CCN(CC)C[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343319608 396995273 /nfs/dbraw/zinc/99/52/73/396995273.db2.gz KTNQQXYHWZOJTP-NSHDSACASA-N 0 3 310.354 0.603 20 5 DCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000598189170 397187740 /nfs/dbraw/zinc/18/77/40/397187740.db2.gz YHLDTAXTGUMZLG-UHFFFAOYSA-N 0 3 312.326 0.280 20 5 DCBDHN O=C(CN1CCNCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602501870 397421455 /nfs/dbraw/zinc/42/14/55/397421455.db2.gz UUKWYCSYIXTKLN-UHFFFAOYSA-N 0 3 318.377 0.991 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594204684 397513460 /nfs/dbraw/zinc/51/34/60/397513460.db2.gz WRAPIXARHQSROI-CHWSQXEVSA-N 0 3 307.354 0.924 20 5 DCBDHN CN(C)C/C=C\C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000491883961 397505366 /nfs/dbraw/zinc/50/53/66/397505366.db2.gz LYWIXAIQJUJWCC-ARJAWSKDSA-N 0 3 319.365 0.756 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1N1CCN(CC2CCOCC2)CC1 ZINC000609578001 397783577 /nfs/dbraw/zinc/78/35/77/397783577.db2.gz GDUSSIYNZFDNLQ-UHFFFAOYSA-N 0 3 309.370 0.877 20 5 DCBDHN COc1c(C(=O)NC[C@@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000318454973 159006134 /nfs/dbraw/zinc/00/61/34/159006134.db2.gz GWOKVHWSFPZAMB-CQSZACIVSA-N 0 3 311.338 0.646 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000320777065 159010594 /nfs/dbraw/zinc/01/05/94/159010594.db2.gz LUKUSPFPLLUDBY-RYUDHWBXSA-N 0 3 320.349 0.770 20 5 DCBDHN CN1CCC[C@H](N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 ZINC000367195598 159321313 /nfs/dbraw/zinc/32/13/13/159321313.db2.gz JQVOMHZIDWGCMP-NSHDSACASA-N 0 3 322.369 0.170 20 5 DCBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000368188498 159380028 /nfs/dbraw/zinc/38/00/28/159380028.db2.gz YFVQKBNFDJVYRN-YUMQZZPRSA-N 0 3 307.285 0.901 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCN([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000368404214 159392380 /nfs/dbraw/zinc/39/23/80/159392380.db2.gz KIHDZTBJACZHEP-STQMWFEESA-N 0 3 309.370 0.322 20 5 DCBDHN Cc1c(NC(=O)C(=O)N2CCCNCC2)cccc1[N+](=O)[O-] ZINC000415313106 287235821 /nfs/dbraw/zinc/23/58/21/287235821.db2.gz DRTFWFSWOHRNII-UHFFFAOYSA-N 0 3 306.322 0.664 20 5 DCBDHN NCCNC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419343499 287282257 /nfs/dbraw/zinc/28/22/57/287282257.db2.gz CTDFTEXXAGGDRO-UHFFFAOYSA-N 0 3 308.338 0.109 20 5 DCBDHN COC(=O)CC[C@@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000342748852 415278965 /nfs/dbraw/zinc/27/89/65/415278965.db2.gz IMTCQIUPRSODHW-SNVBAGLBSA-N 0 3 324.337 0.403 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000332082922 415231593 /nfs/dbraw/zinc/23/15/93/415231593.db2.gz ATXJMXKMUYDGGM-LBPRGKRZSA-N 0 3 309.370 0.482 20 5 DCBDHN CNS(=O)(=O)c1ccc(N[C@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000343786417 415729132 /nfs/dbraw/zinc/72/91/32/415729132.db2.gz GWOLVXNYVDJHFS-SECBINFHSA-N 0 3 316.383 0.865 20 5 DCBDHN CO[C@H]1COC[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000290031034 415752383 /nfs/dbraw/zinc/75/23/83/415752383.db2.gz BUVCWVQFJUCCNX-MJVIPROJSA-N 0 3 312.322 0.338 20 5 DCBDHN CCC[C@]1(CO)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344127285 415846628 /nfs/dbraw/zinc/84/66/28/415846628.db2.gz JMKGCHUECBDCEW-KGLIPLIRSA-N 0 3 312.370 0.637 20 5 DCBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356455965 415923714 /nfs/dbraw/zinc/92/37/14/415923714.db2.gz HJMMEUKMNKJYEE-JTQLQIEISA-N 0 3 311.342 0.169 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000358073483 416187730 /nfs/dbraw/zinc/18/77/30/416187730.db2.gz CINBCWSNBLWHSH-OAHLLOKOSA-N 0 3 322.365 0.580 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCN(C[C@H]3CCOC3)CC2)n1 ZINC000178485742 416164978 /nfs/dbraw/zinc/16/49/78/416164978.db2.gz RVEWJOVSCLNKFK-CYBMUJFWSA-N 0 3 309.370 0.445 20 5 DCBDHN CNc1c(C(=O)NCC2(O)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000361211453 416426014 /nfs/dbraw/zinc/42/60/14/416426014.db2.gz OZWOOQVOICAQOD-UHFFFAOYSA-N 0 3 322.365 0.823 20 5 DCBDHN CNc1nccc(C(=O)NCCN2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000584850950 416516154 /nfs/dbraw/zinc/51/61/54/416516154.db2.gz RESNLRNTIMVRHQ-JTQLQIEISA-N 0 3 307.354 1.103 20 5 DCBDHN CC(C)(C(=O)NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423992594 416602017 /nfs/dbraw/zinc/60/20/17/416602017.db2.gz OWZZBEGPKNPPJS-CYBMUJFWSA-N 0 3 307.350 0.977 20 5 DCBDHN N[C@@H]1Cc2ccccc2N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000424075416 416607742 /nfs/dbraw/zinc/60/77/42/416607742.db2.gz MBUSPEWCQXVJEL-LLVKDONJSA-N 0 3 301.306 0.708 20 5 DCBDHN C[C@@H]1CN(CCCNc2ccc(N)c([N+](=O)[O-])n2)CCCO1 ZINC000596208332 416580087 /nfs/dbraw/zinc/58/00/87/416580087.db2.gz KAFBSUXOOZIELT-LLVKDONJSA-N 0 3 309.370 1.485 20 5 DCBDHN O=C(CCN1CC[C@H](CO)[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000559284123 416806621 /nfs/dbraw/zinc/80/66/21/416806621.db2.gz YJYDUCHAJXTFIQ-BXUZGUMPSA-N 0 3 323.349 0.599 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000369998405 416864973 /nfs/dbraw/zinc/86/49/73/416864973.db2.gz RVFXQXFFJWDIDM-KBPBESRZSA-N 0 3 309.370 0.322 20 5 DCBDHN N[C@H]1C[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489689 416987506 /nfs/dbraw/zinc/98/75/06/416987506.db2.gz BTLZWKFIQPWBOP-KBPBESRZSA-N 0 3 304.350 0.381 20 5 DCBDHN COc1cccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000568661416 417162612 /nfs/dbraw/zinc/16/26/12/417162612.db2.gz PABIUXWWGSRDAK-QWRGUYRKSA-N 0 3 309.322 0.350 20 5 DCBDHN CN1CCC[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569332512 417240174 /nfs/dbraw/zinc/24/01/74/417240174.db2.gz UFHVQLRRRLUNHH-VXGBXAGGSA-N 0 3 323.349 0.545 20 5 DCBDHN CNc1nccc(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000569939008 417305467 /nfs/dbraw/zinc/30/54/67/417305467.db2.gz GSZPUJBSOFUILO-LLVKDONJSA-N 0 3 321.381 1.445 20 5 DCBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000571164725 417430964 /nfs/dbraw/zinc/43/09/64/417430964.db2.gz YKUXFXHKCYRMPU-VIFPVBQESA-N 0 3 302.356 0.786 20 5 DCBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415392852 417377299 /nfs/dbraw/zinc/37/72/99/417377299.db2.gz YOCJCLOFXKKBIV-PSASIEDQSA-N 0 3 309.326 0.646 20 5 DCBDHN CNCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000440823707 287408232 /nfs/dbraw/zinc/40/82/32/287408232.db2.gz GEFCCNCAMKPQMI-UHFFFAOYSA-N 0 3 324.362 0.983 20 5 DCBDHN C[C@H](NC(=O)NC[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000417128778 262246856 /nfs/dbraw/zinc/24/68/56/262246856.db2.gz JGBAZLFDOWGVIX-GXFFZTMASA-N 0 3 308.338 0.943 20 5 DCBDHN C[C@H](NC(=O)C(=O)N1CCCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000418790791 262290253 /nfs/dbraw/zinc/29/02/53/262290253.db2.gz YDGFSYWSJAOQST-NSHDSACASA-N 0 3 320.349 0.594 20 5 DCBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCCNCC1 ZINC000420402833 262373778 /nfs/dbraw/zinc/37/37/78/262373778.db2.gz JSBHGMKOUDMVQZ-UHFFFAOYSA-N 0 3 313.379 0.762 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492557121 272135099 /nfs/dbraw/zinc/13/50/99/272135099.db2.gz BLGQTJSSNOHROD-UJAVWCLSSA-N 0 3 323.324 0.930 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000493095074 272168434 /nfs/dbraw/zinc/16/84/34/272168434.db2.gz SLKZWIRYRGXHFR-WFVZMWEJSA-N 0 3 323.324 0.880 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000493468446 272190521 /nfs/dbraw/zinc/19/05/21/272190521.db2.gz QOUXSSDRIILGMU-KFBXHMBNSA-N 0 3 305.334 0.741 20 5 DCBDHN CS(=O)(=O)N1CC(CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000495183484 272240644 /nfs/dbraw/zinc/24/06/44/272240644.db2.gz KDGNJNMARNOEEP-UHFFFAOYSA-N 0 3 317.342 0.715 20 5 DCBDHN O=C(CN1CCCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301207290 279765004 /nfs/dbraw/zinc/76/50/04/279765004.db2.gz SCZNUJOTKXZFRW-UHFFFAOYSA-N 0 3 319.365 0.734 20 5 DCBDHN CN(C)[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000555879582 288364900 /nfs/dbraw/zinc/36/49/00/288364900.db2.gz CVFMRPUSNBRORD-STQMWFEESA-N 0 3 308.338 0.140 20 5 DCBDHN CCc1n[nH]c(C(=O)NC[C@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000584181680 331858021 /nfs/dbraw/zinc/85/80/21/331858021.db2.gz FTUPUZAERYBUCG-AWEZNQCLSA-N 0 3 323.353 0.067 20 5 DCBDHN O=C(NC1CNC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000583134077 337243010 /nfs/dbraw/zinc/24/30/10/337243010.db2.gz UQZDYPNHEVCMAZ-UHFFFAOYSA-N 0 3 318.333 0.174 20 5 DCBDHN C[C@H]1CN(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000159537611 524595673 /nfs/dbraw/zinc/59/56/73/524595673.db2.gz GIFXBBMNMBMXKG-UWVGGRQHSA-N 0 3 311.342 0.547 20 5 DCBDHN CCc1nnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000983655199 662002012 /nfs/dbraw/zinc/00/20/12/662002012.db2.gz QYLHHGFKWXMSSL-GWOFURMSSA-N 0 3 323.353 0.282 20 5 DCBDHN COc1ccc([C@H](CNCC[N+](=O)[O-])N2CCOCC2)cc1 ZINC000899860303 663194481 /nfs/dbraw/zinc/19/44/81/663194481.db2.gz QUWIPRGQDGPXKM-HNNXBMFYSA-N 0 3 309.366 0.935 20 5 DCBDHN CN(CCO)CCN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000912606031 664193066 /nfs/dbraw/zinc/19/30/66/664193066.db2.gz HZXDSWRLYJRYEF-UHFFFAOYSA-N 0 3 324.381 0.414 20 5 DCBDHN Cc1ccc(CN2C(=O)N[C@@H](CN(C)C)C2=O)cc1[N+](=O)[O-] ZINC000925043203 668269550 /nfs/dbraw/zinc/26/95/50/668269550.db2.gz BAEOXKHIAXMOKR-NSHDSACASA-N 0 3 306.322 0.885 20 5 DCBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cn1nccc1[N+](=O)[O-] ZINC000782913578 669131452 /nfs/dbraw/zinc/13/14/52/669131452.db2.gz MPCUVLZIUILMJU-GFCCVEGCSA-N 0 3 309.370 0.934 20 5 DCBDHN COC(=O)C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000932104450 669318908 /nfs/dbraw/zinc/31/89/08/669318908.db2.gz HBQZZNGCNUFVNU-VXGBXAGGSA-N 0 3 323.349 0.888 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935980324 669806079 /nfs/dbraw/zinc/80/60/79/669806079.db2.gz HWOLFMMAXBYOBU-XBFCOCLRSA-N 0 3 307.350 0.737 20 5 DCBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN(C)C ZINC000935982528 669807918 /nfs/dbraw/zinc/80/79/18/669807918.db2.gz YLVNVPGQCSEDEK-SECBINFHSA-N 0 3 313.379 0.969 20 5 DCBDHN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1O ZINC000854455920 670568645 /nfs/dbraw/zinc/56/86/45/670568645.db2.gz QWLVLHCHNMANTA-AXTSPUMRSA-N 0 3 322.321 0.532 20 5 DCBDHN CC(COC(=O)[C@H](C)Sc1nnnn1C1CC1)[N+](=O)[O-] ZINC000813102883 670610861 /nfs/dbraw/zinc/61/08/61/670610861.db2.gz KVRKGZMMXSMVBO-RQJHMYQMSA-N 0 3 301.328 0.697 20 5 DCBDHN CC(COC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)[N+](=O)[O-] ZINC000813102482 670610982 /nfs/dbraw/zinc/61/09/82/670610982.db2.gz GEKDLTYTJIDSPO-SSDOTTSWSA-N 0 3 305.312 0.087 20 5 DCBDHN CNS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113136 670612955 /nfs/dbraw/zinc/61/29/55/670612955.db2.gz XOABGLDDEXAWHT-MRVPVSSYSA-N 0 3 302.308 0.417 20 5 DCBDHN CC(COC(=O)CSCC(=O)N1CCCCC1)[N+](=O)[O-] ZINC000813113554 670612987 /nfs/dbraw/zinc/61/29/87/670612987.db2.gz RLQYJHZVMRYXNN-JTQLQIEISA-N 0 3 304.368 0.941 20 5 DCBDHN C[NH+](C)CCOCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825870331 671473993 /nfs/dbraw/zinc/47/39/93/671473993.db2.gz HJTSCUJKPDNHDH-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN C[NH+](C)CCOCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825870331 671473994 /nfs/dbraw/zinc/47/39/94/671473994.db2.gz HJTSCUJKPDNHDH-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@H]2C)n1 ZINC000826677826 671496357 /nfs/dbraw/zinc/49/63/57/671496357.db2.gz PETPSAQWALZTAG-LLVKDONJSA-N 0 3 307.354 0.854 20 5 DCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000833336563 671746972 /nfs/dbraw/zinc/74/69/72/671746972.db2.gz FOOUOSQLBLFPCR-UBHSHLNASA-N 0 3 305.334 0.791 20 5 DCBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000843497510 672106041 /nfs/dbraw/zinc/10/60/41/672106041.db2.gz GZONCGHBZFBEME-JTQLQIEISA-N 0 3 324.293 0.530 20 5 DCBDHN Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc1 ZINC001020138933 693709868 /nfs/dbraw/zinc/70/98/68/693709868.db2.gz IRWHEHMQCYIAHR-DDHJBXDOSA-N 0 3 305.338 0.187 20 5 DCBDHN O=C([C@H]1C[C@@H](F)CN1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001574428350 1163722243 /nfs/dbraw/zinc/72/22/43/1163722243.db2.gz KYSZGKSHFZEMOP-BXUZGUMPSA-N 0 3 322.340 0.943 20 5 DCBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001585614575 1166443463 /nfs/dbraw/zinc/44/34/63/1166443463.db2.gz UDFWPRKTBFRZRU-UHFFFAOYSA-N 0 3 310.354 0.827 20 5 DCBDHN COc1cccc(C(=O)N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001597699659 1168011215 /nfs/dbraw/zinc/01/12/15/1168011215.db2.gz FNGPFWIXCOKCLN-JTQLQIEISA-N 0 3 321.333 0.806 20 5 DCBDHN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC001603839958 1169408844 /nfs/dbraw/zinc/40/88/44/1169408844.db2.gz OQTFEBVNFALNGZ-GMSGAONNSA-N 0 3 304.314 0.674 20 5 DCBDHN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC001603839958 1169408853 /nfs/dbraw/zinc/40/88/53/1169408853.db2.gz OQTFEBVNFALNGZ-GMSGAONNSA-N 0 3 304.314 0.674 20 5 DCBDHN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC001603839958 1169408857 /nfs/dbraw/zinc/40/88/57/1169408857.db2.gz OQTFEBVNFALNGZ-GMSGAONNSA-N 0 3 304.314 0.674 20 5 DCBDHN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC001603839958 1169408862 /nfs/dbraw/zinc/40/88/62/1169408862.db2.gz OQTFEBVNFALNGZ-GMSGAONNSA-N 0 3 304.314 0.674 20 5 DCBDHN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC001603839960 1169408906 /nfs/dbraw/zinc/40/89/06/1169408906.db2.gz OQTFEBVNFALNGZ-XCBNKYQSSA-N 0 3 304.314 0.674 20 5 DCBDHN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC001603839960 1169408908 /nfs/dbraw/zinc/40/89/08/1169408908.db2.gz OQTFEBVNFALNGZ-XCBNKYQSSA-N 0 3 304.314 0.674 20 5 DCBDHN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC001603839960 1169408913 /nfs/dbraw/zinc/40/89/13/1169408913.db2.gz OQTFEBVNFALNGZ-XCBNKYQSSA-N 0 3 304.314 0.674 20 5 DCBDHN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC001603839960 1169408922 /nfs/dbraw/zinc/40/89/22/1169408922.db2.gz OQTFEBVNFALNGZ-XCBNKYQSSA-N 0 3 304.314 0.674 20 5 DCBDHN O=C1N[C@@H](C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CO1 ZINC001620631916 1171405552 /nfs/dbraw/zinc/40/55/52/1171405552.db2.gz GIWZUXRFNUNOFR-LLVKDONJSA-N 0 3 309.326 0.612 20 5 DCBDHN O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC(N[C@@H]2CCOC2)C1 ZINC001635940932 1171717599 /nfs/dbraw/zinc/71/75/99/1171717599.db2.gz ITPSKIWYDCHPGZ-ZCFIWIBFSA-N 0 3 315.717 0.174 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC001638118000 1171787236 /nfs/dbraw/zinc/78/72/36/1171787236.db2.gz BVIAENPYPXYRQU-LLVKDONJSA-N 0 3 323.349 0.790 20 5 DCBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CC(N[C@H]2CCOC2)C1 ZINC001652687097 1173774502 /nfs/dbraw/zinc/77/45/02/1173774502.db2.gz KMIQHZLPWCKFAT-NSHDSACASA-N 0 3 321.333 0.563 20 5 DCBDHN CCc1nocc1CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732850347 1186012627 /nfs/dbraw/zinc/01/26/27/1186012627.db2.gz VIYHILALAGGBKB-CWBMUHOVSA-N 0 3 308.338 0.664 20 5 DCBDHN CNC(=O)CCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126012133 748184938 /nfs/dbraw/zinc/18/49/38/748184938.db2.gz WWFLIKDKTUMAEY-UHFFFAOYSA-N 0 3 322.365 0.717 20 5 DCBDHN Cn1c(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nc2ccccc21 ZINC001126931905 750143075 /nfs/dbraw/zinc/14/30/75/750143075.db2.gz DVBYAIYHUXLBJA-ZWNOBZJWSA-N 0 3 317.349 0.444 20 5 DCBDHN Cn1ccc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001126966595 750283882 /nfs/dbraw/zinc/28/38/82/750283882.db2.gz VKKCQFYSZDPUDA-UHFFFAOYSA-N 0 3 317.349 0.777 20 5 DCBDHN Cc1cnc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001086082959 759691566 /nfs/dbraw/zinc/69/15/66/759691566.db2.gz JDHLLRQZNZYMFH-WRWGMCAJSA-N 0 3 308.338 0.633 20 5 DCBDHN CC(=O)N(C)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123804183 768059924 /nfs/dbraw/zinc/05/99/24/768059924.db2.gz FETSMHWGINJGIW-UHFFFAOYSA-N 0 3 308.338 0.279 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccnnc1 ZINC001134284388 765458611 /nfs/dbraw/zinc/45/86/11/765458611.db2.gz WUVFTXBTVCEPAQ-UHFFFAOYSA-N 0 3 301.306 0.904 20 5 DCBDHN NC(=O)CCCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001147119107 767647157 /nfs/dbraw/zinc/64/71/57/767647157.db2.gz MNTANRFCALPVAT-UHFFFAOYSA-N 0 3 322.365 0.846 20 5 DCBDHN O=C(Cc1nc[nH]n1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001147278180 767703775 /nfs/dbraw/zinc/70/37/75/767703775.db2.gz UGVQZDJYJHSWKL-UHFFFAOYSA-N 0 3 304.310 0.161 20 5 DCBDHN CC(C)N1CC(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001093536896 768611123 /nfs/dbraw/zinc/61/11/23/768611123.db2.gz WJOSZQJFHJOUOT-ZIAGYGMSSA-N 0 3 311.382 0.752 20 5 DCBDHN O=C(Cn1ccnc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001153487739 769826635 /nfs/dbraw/zinc/82/66/35/769826635.db2.gz LEUMPRXRGQAYOL-UHFFFAOYSA-N 0 3 303.322 0.697 20 5 DCBDHN O=C(Cn1cncn1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001175464920 769904589 /nfs/dbraw/zinc/90/45/89/769904589.db2.gz QUDQLIIOVAXJCI-UHFFFAOYSA-N 0 3 324.366 0.544 20 5 DCBDHN Cc1nc(Cl)nc(N(C)S(=O)(=O)CCN)c1[N+](=O)[O-] ZINC001156231650 770757733 /nfs/dbraw/zinc/75/77/33/770757733.db2.gz LBDOLWOJTNNOPA-UHFFFAOYSA-N 0 3 309.735 0.071 20 5 DCBDHN Cn1ccc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)c1 ZINC001156552664 770852782 /nfs/dbraw/zinc/85/27/82/770852782.db2.gz LGEBXIRVDRNFAA-UHFFFAOYSA-N 0 3 320.353 0.577 20 5 DCBDHN Cc1cc[nH]c1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001157330495 771588221 /nfs/dbraw/zinc/58/82/21/771588221.db2.gz CCSDYPNPXMDVQG-UHFFFAOYSA-N 0 3 320.353 0.875 20 5 DCBDHN Cc1ncc([N+](=O)[O-])c(N2CCO[C@@H](CN3CCCC3)C2)n1 ZINC001158309061 771756567 /nfs/dbraw/zinc/75/65/67/771756567.db2.gz AJOAUFQEWJUXPL-LBPRGKRZSA-N 0 3 307.354 0.994 20 5 DCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCO[C@H](CN2CCCC2)C1 ZINC001158310308 771757292 /nfs/dbraw/zinc/75/72/92/771757292.db2.gz ZABUVEXQVXOEEN-CYBMUJFWSA-N 0 3 322.365 0.838 20 5 DCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H](C)[C@H]2CNCCO2)n1 ZINC001159502588 771921125 /nfs/dbraw/zinc/92/11/25/771921125.db2.gz NTVHJNABUDMNPL-GMSGAONNSA-N 0 3 324.341 0.440 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2cnc3c2CNCC3)n1 ZINC001164316929 772645503 /nfs/dbraw/zinc/64/55/03/772645503.db2.gz KJVIIGDLXSMKNQ-UHFFFAOYSA-N 0 3 303.278 0.608 20 5 DCBDHN COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3NCCO[C@H]3C2)n1 ZINC001165270443 772713891 /nfs/dbraw/zinc/71/38/91/772713891.db2.gz FKHSJEUSDAUFJM-UWVGGRQHSA-N 0 3 309.326 0.269 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CC(C)(F)F ZINC001166054465 772780189 /nfs/dbraw/zinc/78/01/89/772780189.db2.gz RRIRZQNCBJUNJH-UHFFFAOYSA-N 0 3 319.312 0.970 20 5 DCBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cn[nH]n1 ZINC001481251804 939673997 /nfs/dbraw/zinc/67/39/97/939673997.db2.gz FZCRNUDSADBGQL-UHFFFAOYSA-N 0 3 304.310 0.575 20 5 DCBDHN O=C(NCC1(NCc2ncccn2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001319350903 945567931 /nfs/dbraw/zinc/56/79/31/945567931.db2.gz CAQIWNNJXPXANZ-VXGBXAGGSA-N 0 3 319.365 0.660 20 5 DCBDHN CN1CCN(CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001325609942 947854890 /nfs/dbraw/zinc/85/48/90/947854890.db2.gz CJOFBUKVVMSDIU-UHFFFAOYSA-N 0 3 310.358 0.075 20 5 DCBDHN CN(C)CCn1nccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001326395632 948147227 /nfs/dbraw/zinc/14/72/27/948147227.db2.gz YBNLKBIHSITCCK-UHFFFAOYSA-N 0 3 307.314 0.339 20 5 DCBDHN O=C(NC1CC1)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC001330694562 950593421 /nfs/dbraw/zinc/59/34/21/950593421.db2.gz JZZURDBXJAFXQT-LLVKDONJSA-N 0 3 307.354 0.782 20 5 DCBDHN Cc1nc(N2CC[C@H]3[C@@H]2CCCN3CCO)ncc1[N+](=O)[O-] ZINC001333872448 952183046 /nfs/dbraw/zinc/18/30/46/952183046.db2.gz KTALDXQEEZRTEI-RYUDHWBXSA-N 0 3 307.354 0.729 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CN2CCC1CC2 ZINC001336082939 952642748 /nfs/dbraw/zinc/64/27/48/952642748.db2.gz XIWZYOMVNAPJTM-GFCCVEGCSA-N 0 3 307.354 0.700 20 5 DCBDHN CN1CCNC[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001341805595 953251295 /nfs/dbraw/zinc/25/12/95/953251295.db2.gz LOIIAMBZTXSZPK-HNNXBMFYSA-N 0 3 318.377 0.989 20 5 DCBDHN C[C@@H](CNC(=O)[C@@H]1CNCCN1C)c1ccccc1[N+](=O)[O-] ZINC001355316823 956634245 /nfs/dbraw/zinc/63/42/45/956634245.db2.gz SFBGVSFTCKTQFG-FZMZJTMJSA-N 0 3 306.366 0.718 20 5 DCBDHN C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC001477127168 1017256612 /nfs/dbraw/zinc/25/66/12/1017256612.db2.gz GAFYOUIFLKMLKY-LDYMZIIASA-N 0 3 321.337 0.908 20 5 DCBDHN NS(=O)(=O)C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001660447753 1173994725 /nfs/dbraw/zinc/99/47/25/1173994725.db2.gz MYZHGXRTXXFKQE-GFCCVEGCSA-N 0 3 313.379 0.748 20 5 DCBDHN Cc1cc(C(=O)NCC(=O)NC[C@@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000272808999 210210690 /nfs/dbraw/zinc/21/06/90/210210690.db2.gz IUUHZUFAAGXSOI-LLVKDONJSA-N 0 3 322.365 0.699 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CCC(O)CC1 ZINC000272717993 210123241 /nfs/dbraw/zinc/12/32/41/210123241.db2.gz YXNMCHNROCZSRS-UHFFFAOYSA-N 0 3 322.365 0.754 20 5 DCBDHN CNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279922490 215239805 /nfs/dbraw/zinc/23/98/05/215239805.db2.gz KVAUBVJNWCVRDA-SSDOTTSWSA-N 0 3 315.307 0.213 20 5 DCBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346185089 254020664 /nfs/dbraw/zinc/02/06/64/254020664.db2.gz NSULXDRDCMOBFD-TUAOUCFPSA-N 0 3 322.369 0.375 20 5 DCBDHN COC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000346695072 254083936 /nfs/dbraw/zinc/08/39/36/254083936.db2.gz YCVXWFFGKMNFEE-ZMLRMANQSA-N 0 3 312.326 0.036 20 5 DCBDHN CC(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000045801689 395766329 /nfs/dbraw/zinc/76/63/29/395766329.db2.gz XEWDTTJDBVXMQJ-VIFPVBQESA-N 0 3 315.351 0.556 20 5 DCBDHN NC(=O)CCC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000271090029 395837682 /nfs/dbraw/zinc/83/76/82/395837682.db2.gz HEFPDXAVKHHZRK-UHFFFAOYSA-N 0 3 322.365 0.734 20 5 DCBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000246578298 395953382 /nfs/dbraw/zinc/95/33/82/395953382.db2.gz CGIIPCOTCIJTRW-RYUDHWBXSA-N 0 3 307.354 0.734 20 5 DCBDHN CC(C)N1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000274552936 395958106 /nfs/dbraw/zinc/95/81/06/395958106.db2.gz XZKWYHBQJKZOJA-LBPRGKRZSA-N 0 3 322.365 0.746 20 5 DCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000247314316 395971700 /nfs/dbraw/zinc/97/17/00/395971700.db2.gz HQSWWDKWCNGQOH-DGCLKSJQSA-N 0 3 322.365 0.555 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCNCC1 ZINC000261675384 396055371 /nfs/dbraw/zinc/05/53/71/396055371.db2.gz LWBDARHKNFNMOT-JTQLQIEISA-N 0 3 308.338 0.836 20 5 DCBDHN C[C@H]1SCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000075749089 396186437 /nfs/dbraw/zinc/18/64/37/396186437.db2.gz CZVSPKSRGVHIHU-UMNHJUIQSA-N 0 3 300.384 0.978 20 5 DCBDHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262942761 396193174 /nfs/dbraw/zinc/19/31/74/396193174.db2.gz AFMGBDYTNVYPBK-AWEZNQCLSA-N 0 3 320.349 0.583 20 5 DCBDHN COc1cc(OCC(=O)N2CCCNCC2)ccc1[N+](=O)[O-] ZINC000178358358 396193598 /nfs/dbraw/zinc/19/35/98/396193598.db2.gz HZQWIXCXKAEVBZ-UHFFFAOYSA-N 0 3 309.322 0.804 20 5 DCBDHN COCCN1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000264469758 396283110 /nfs/dbraw/zinc/28/31/10/396283110.db2.gz GCKKKIVCHMFSKE-LLVKDONJSA-N 0 3 311.342 0.018 20 5 DCBDHN COc1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000269231105 396397651 /nfs/dbraw/zinc/39/76/51/396397651.db2.gz DCCWTQMPVRJKAJ-LBPRGKRZSA-N 0 3 323.349 0.988 20 5 DCBDHN CC(C)N(CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)C ZINC000269617774 396429795 /nfs/dbraw/zinc/42/97/95/396429795.db2.gz MAFAQXWHJLETQK-UHFFFAOYSA-N 0 3 324.381 0.992 20 5 DCBDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000192920406 396440447 /nfs/dbraw/zinc/44/04/47/396440447.db2.gz XQBGLDHYEUCAAV-PHIMTYICSA-N 0 3 311.363 0.777 20 5 DCBDHN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@H]1CNCCO1 ZINC000594698009 396497887 /nfs/dbraw/zinc/49/78/87/396497887.db2.gz HHKGBQNDMVIWHB-CYBMUJFWSA-N 0 3 316.317 0.807 20 5 DCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CCN2C1=O ZINC000579979061 396482706 /nfs/dbraw/zinc/48/27/06/396482706.db2.gz OOZLJYXCDBJRBZ-BDAKNGLRSA-N 0 3 310.335 0.040 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC[NH2+]C2)nc1 ZINC000595101231 396548876 /nfs/dbraw/zinc/54/88/76/396548876.db2.gz ADXLYRAAWVVOER-VIFPVBQESA-N 0 3 300.340 0.268 20 5 DCBDHN Cc1nn(C)c(C(=O)N2CC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000294011987 396648370 /nfs/dbraw/zinc/64/83/70/396648370.db2.gz YFYQVALOZKHPOE-AWEZNQCLSA-N 0 3 307.354 0.805 20 5 DCBDHN O=C1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]2N1 ZINC000595729889 396653188 /nfs/dbraw/zinc/65/31/88/396653188.db2.gz WEXZYUTZODICTK-DGCLKSJQSA-N 0 3 320.349 0.357 20 5 DCBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588861853 396695739 /nfs/dbraw/zinc/69/57/39/396695739.db2.gz VSDNUKXGBFMSFU-UONOGXRCSA-N 0 3 305.334 0.876 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588864492 396696627 /nfs/dbraw/zinc/69/66/27/396696627.db2.gz KIVRDOGDEPSCIQ-SNVBAGLBSA-N 0 3 301.730 0.901 20 5 DCBDHN N[C@H]1C[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CCN2C1=O ZINC000596014312 396708378 /nfs/dbraw/zinc/70/83/78/396708378.db2.gz NNWFXYIEKCQEKU-APPZFPTMSA-N 0 3 311.729 0.391 20 5 DCBDHN CN(C)CCN(C)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596153735 396725081 /nfs/dbraw/zinc/72/50/81/396725081.db2.gz VPGCLGMQZZPNFM-UHFFFAOYSA-N 0 3 302.356 0.240 20 5 DCBDHN C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000596542242 396793774 /nfs/dbraw/zinc/79/37/74/396793774.db2.gz OMPFAIMJFKSLKC-SWHYSGLUSA-N 0 3 322.365 0.972 20 5 DCBDHN O=C([C@@H]1CCCCN1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320237336 396812904 /nfs/dbraw/zinc/81/29/04/396812904.db2.gz NOOFIJZVYSDHIP-ZDUSSCGKSA-N 0 3 319.365 0.781 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc3c(c2)OCO3)c1 ZINC000320597437 396814459 /nfs/dbraw/zinc/81/44/59/396814459.db2.gz BVRXOAIZBAZVKW-GFCCVEGCSA-N 0 3 320.305 0.671 20 5 DCBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1COCCN1)OCCO2 ZINC000600678488 396915713 /nfs/dbraw/zinc/91/57/13/396915713.db2.gz QUFFLJRQGYAQJE-LLVKDONJSA-N 0 3 309.322 0.444 20 5 DCBDHN COc1ccc(CC(=O)NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600807421 396945849 /nfs/dbraw/zinc/94/58/49/396945849.db2.gz CNZKRFIXGSQFEH-LBPRGKRZSA-N 0 3 323.349 0.329 20 5 DCBDHN COCCN(C)C[C@@H](O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000571416809 396950137 /nfs/dbraw/zinc/95/01/37/396950137.db2.gz IFIPJRQOYWCIJT-LLVKDONJSA-N 0 3 314.338 0.921 20 5 DCBDHN CCN1CC[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591765765 396999811 /nfs/dbraw/zinc/99/98/11/396999811.db2.gz GLZQLQONCAVYRW-OCCSQVGLSA-N 0 3 323.349 0.545 20 5 DCBDHN COC(=O)[C@@H]1CNCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000592489788 397190283 /nfs/dbraw/zinc/19/02/83/397190283.db2.gz VXBAJAYQBARVHL-AWEZNQCLSA-N 0 3 307.350 0.974 20 5 DCBDHN CCCN1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000598341882 397216341 /nfs/dbraw/zinc/21/63/41/397216341.db2.gz HTEPLILGQRJHQT-LLVKDONJSA-N 0 3 308.338 0.357 20 5 DCBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC000366320090 397362881 /nfs/dbraw/zinc/36/28/81/397362881.db2.gz UXLVVPLSYLZBAB-URLYPYJESA-N 0 3 311.363 0.708 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000602890193 397514185 /nfs/dbraw/zinc/51/41/85/397514185.db2.gz XJHLJHLQMAMCGV-VXGBXAGGSA-N 0 3 307.354 0.700 20 5 DCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CN2CCN1CCC2 ZINC000371237550 397562484 /nfs/dbraw/zinc/56/24/84/397562484.db2.gz CROIKIDXLZLFAN-HNNXBMFYSA-N 0 3 318.377 0.943 20 5 DCBDHN COc1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000579142396 397529336 /nfs/dbraw/zinc/52/93/36/397529336.db2.gz CLKQWKHKEJOPDK-SCZZXKLOSA-N 0 3 324.312 0.491 20 5 DCBDHN CCN(CCN)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000599888900 397535788 /nfs/dbraw/zinc/53/57/88/397535788.db2.gz ZWZWNPLEQSIGNZ-UHFFFAOYSA-N 0 3 310.310 0.349 20 5 DCBDHN C[C@H](NC(=O)N1CCN(C)C[C@H]1CN)c1ccc([N+](=O)[O-])cc1 ZINC000579935780 397598664 /nfs/dbraw/zinc/59/86/64/397598664.db2.gz ZAXYERBTWXKAPI-SMDDNHRTSA-N 0 3 321.381 0.940 20 5 DCBDHN CN(C)CCn1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000604511230 397641748 /nfs/dbraw/zinc/64/17/48/397641748.db2.gz IUSHANLYQAUNNH-UHFFFAOYSA-N 0 3 307.314 0.188 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000268199142 415174880 /nfs/dbraw/zinc/17/48/80/415174880.db2.gz ODXDIJWHMHBZGG-ZWNOBZJWSA-N 0 3 307.354 0.780 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000268235255 415181647 /nfs/dbraw/zinc/18/16/47/415181647.db2.gz NWOWYESAALVYBY-CABZTGNLSA-N 0 3 307.354 0.699 20 5 DCBDHN COC(=O)CC[C@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000342748850 415278459 /nfs/dbraw/zinc/27/84/59/415278459.db2.gz IMTCQIUPRSODHW-JTQLQIEISA-N 0 3 324.337 0.403 20 5 DCBDHN CN(CCCN1CCN(C)CC1)Cc1c([N+](=O)[O-])ncn1C ZINC000352785526 415319818 /nfs/dbraw/zinc/31/98/18/415319818.db2.gz ZXQWFDGVJCFVNH-UHFFFAOYSA-N 0 3 310.402 0.398 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](COC(F)F)C2)c1 ZINC000353021377 415407942 /nfs/dbraw/zinc/40/79/42/415407942.db2.gz JTDVFVVYBUUGCW-MWLCHTKSSA-N 0 3 320.296 0.713 20 5 DCBDHN CN1CCN(CCNc2ncc([N+](=O)[O-])c(N)n2)CC1(C)C ZINC000281668610 415566928 /nfs/dbraw/zinc/56/69/28/415566928.db2.gz PJHAYPFLUQGHKA-UHFFFAOYSA-N 0 3 309.374 0.405 20 5 DCBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345128391 416049768 /nfs/dbraw/zinc/04/97/68/416049768.db2.gz IVCSDTQINNXJOI-UHFFFAOYSA-N 0 3 309.370 0.253 20 5 DCBDHN CN(CC(=O)NC[C@@]1(O)CCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000358051266 416179292 /nfs/dbraw/zinc/17/92/92/416179292.db2.gz BKEKQGXSUDUCBJ-HNNXBMFYSA-N 0 3 322.365 0.214 20 5 DCBDHN CCN(CCO)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000183958592 416250360 /nfs/dbraw/zinc/25/03/60/416250360.db2.gz GDZHCCOUWGPHTR-UHFFFAOYSA-N 0 3 314.317 0.360 20 5 DCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1CC(C)(C)O ZINC000189904871 416271299 /nfs/dbraw/zinc/27/12/99/416271299.db2.gz LDDYEPRHQOVEST-LBPRGKRZSA-N 0 3 311.386 0.568 20 5 DCBDHN COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193239312 416314783 /nfs/dbraw/zinc/31/47/83/416314783.db2.gz GNRFDZLCHUULCU-SSDOTTSWSA-N 0 3 319.314 0.383 20 5 DCBDHN CN(C)CC[C@](C)(O)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000352112446 416289353 /nfs/dbraw/zinc/28/93/53/416289353.db2.gz UFRVTVVYEPZTNG-HNNXBMFYSA-N 0 3 309.366 0.956 20 5 DCBDHN N[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000262262621 416336526 /nfs/dbraw/zinc/33/65/26/416336526.db2.gz RJQQNRYHSZKPAO-NWDGAFQWSA-N 0 3 316.321 0.140 20 5 DCBDHN CN1CC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000416493254 416372358 /nfs/dbraw/zinc/37/23/58/416372358.db2.gz DHTFUCMXKIJUBN-GFCCVEGCSA-N 0 3 313.379 0.966 20 5 DCBDHN CN(CCN)C(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423099792 416465300 /nfs/dbraw/zinc/46/53/00/416465300.db2.gz MLUJEDVFXHMGBS-UHFFFAOYSA-N 0 3 320.349 0.503 20 5 DCBDHN C[C@H]1C[C@@H](N2CCOCC2)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000367583844 416647719 /nfs/dbraw/zinc/64/77/19/416647719.db2.gz GDRHZZNLBASSKP-QWHCGFSZSA-N 0 3 309.370 0.586 20 5 DCBDHN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1CCO ZINC000614920568 416724492 /nfs/dbraw/zinc/72/44/92/416724492.db2.gz KNTQRRIUIKEGOE-UHFFFAOYSA-N 0 3 324.381 0.145 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC(CN2CCOCC2)CC1 ZINC000370057567 416876461 /nfs/dbraw/zinc/87/64/61/416876461.db2.gz XZXUGFZCVZTNTD-UHFFFAOYSA-N 0 3 323.397 0.873 20 5 DCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN(C)C ZINC000428983380 416938917 /nfs/dbraw/zinc/93/89/17/416938917.db2.gz VHUGCFPHBKKLCT-SNVBAGLBSA-N 0 3 312.374 0.505 20 5 DCBDHN CCN1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000523660980 417088709 /nfs/dbraw/zinc/08/87/09/417088709.db2.gz NGWIXPNCHUSVIA-GFCCVEGCSA-N 0 3 323.397 0.689 20 5 DCBDHN CCCc1n[nH]c(C(=O)N[C@H]2CNCCC2(F)F)c1[N+](=O)[O-] ZINC000449665366 417159886 /nfs/dbraw/zinc/15/98/86/417159886.db2.gz QPQUFHZMBPBGON-QMMMGPOBSA-N 0 3 317.296 0.997 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCN(C)[C@@H]3C2)n1 ZINC000450777461 417265846 /nfs/dbraw/zinc/26/58/46/417265846.db2.gz JOAFQHCZRNVRHI-JOYOIKCWSA-N 0 3 306.322 0.917 20 5 DCBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@H]1CN ZINC000570395188 417348540 /nfs/dbraw/zinc/34/85/40/417348540.db2.gz HCKPOAVLGAFXMX-GFCCVEGCSA-N 0 3 306.366 0.927 20 5 DCBDHN CNc1nccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000574582357 417486086 /nfs/dbraw/zinc/48/60/86/417486086.db2.gz GVKNGTHMBQFYPC-UWVGGRQHSA-N 0 3 307.354 1.244 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452787089 417502973 /nfs/dbraw/zinc/50/29/73/417502973.db2.gz YFQTYONIIATPSI-NSHDSACASA-N 0 3 322.365 0.754 20 5 DCBDHN CN1CC[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000456169894 417628936 /nfs/dbraw/zinc/62/89/36/417628936.db2.gz PYKCWGMJDNUEEY-PWSUYJOCSA-N 0 3 307.354 0.689 20 5 DCBDHN CNc1nccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000577864907 417680651 /nfs/dbraw/zinc/68/06/51/417680651.db2.gz YFGMULIGMGWEJJ-OAHLLOKOSA-N 0 3 319.365 1.199 20 5 DCBDHN C[C@H]1CCCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000299550718 229202820 /nfs/dbraw/zinc/20/28/20/229202820.db2.gz VYMVZIDGVUFBPF-LBPRGKRZSA-N 0 3 322.365 0.605 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363223799 262106500 /nfs/dbraw/zinc/10/65/00/262106500.db2.gz JRPRLNYFROGAJJ-NEPJUHHUSA-N 0 3 323.353 0.079 20 5 DCBDHN COCCNCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417947039 262265964 /nfs/dbraw/zinc/26/59/64/262265964.db2.gz RTCIODLRKLKLCB-UHFFFAOYSA-N 0 3 310.354 0.673 20 5 DCBDHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418780494 262289433 /nfs/dbraw/zinc/28/94/33/262289433.db2.gz KQJADPJTIWFSNJ-ZJUUUORDSA-N 0 3 308.338 0.578 20 5 DCBDHN Cc1c(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000552155991 288266927 /nfs/dbraw/zinc/26/69/27/288266927.db2.gz NHMRTSCPSLAYOR-KBPBESRZSA-N 0 3 307.350 0.579 20 5 DCBDHN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000552077742 288263554 /nfs/dbraw/zinc/26/35/54/288263554.db2.gz WGMQDOUJNFBSCL-QMMMGPOBSA-N 0 3 314.367 0.452 20 5 DCBDHN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000552077741 288263701 /nfs/dbraw/zinc/26/37/01/288263701.db2.gz WGMQDOUJNFBSCL-MRVPVSSYSA-N 0 3 314.367 0.452 20 5 DCBDHN CCn1cc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000583020350 337225725 /nfs/dbraw/zinc/22/57/25/337225725.db2.gz WBMPGPJKXOIJIL-GWCFXTLKSA-N 0 3 308.342 0.719 20 5 DCBDHN NC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000237890763 527125514 /nfs/dbraw/zinc/12/55/14/527125514.db2.gz XFBFZSOAOGICFK-UHFFFAOYSA-N 0 3 318.333 0.371 20 5 DCBDHN CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736568093 598673408 /nfs/dbraw/zinc/67/34/08/598673408.db2.gz AHFYATPGKNXYKI-UHFFFAOYSA-N 0 3 318.341 0.702 20 5 DCBDHN CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736568093 598673411 /nfs/dbraw/zinc/67/34/11/598673411.db2.gz AHFYATPGKNXYKI-UHFFFAOYSA-N 0 3 318.341 0.702 20 5 DCBDHN CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736568093 598673412 /nfs/dbraw/zinc/67/34/12/598673412.db2.gz AHFYATPGKNXYKI-UHFFFAOYSA-N 0 3 318.341 0.702 20 5 DCBDHN CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736568093 598673414 /nfs/dbraw/zinc/67/34/14/598673414.db2.gz AHFYATPGKNXYKI-UHFFFAOYSA-N 0 3 318.341 0.702 20 5 DCBDHN CC(COC(=O)CCNS(=O)(=O)c1ccccc1)[N+](=O)[O-] ZINC000813104428 658716476 /nfs/dbraw/zinc/71/64/76/658716476.db2.gz CNMRFZKCWACRLW-JTQLQIEISA-N 0 3 316.335 0.563 20 5 DCBDHN CC(COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[N+](=O)[O-] ZINC000813108099 658734768 /nfs/dbraw/zinc/73/47/68/658734768.db2.gz AGDNGPSDELSIOZ-VIFPVBQESA-N 0 3 316.335 0.759 20 5 DCBDHN CN1CC[C@@H]1CNc1nc(NC[C@@H]2CCN2C)ncc1[N+](=O)[O-] ZINC000895769105 662214134 /nfs/dbraw/zinc/21/41/34/662214134.db2.gz OENFVCUWEYKGPE-MNOVXSKESA-N 0 3 321.385 0.617 20 5 DCBDHN O=C(COc1ccc(CCNCC[N+](=O)[O-])cc1)NC1CC1 ZINC000905058108 663529011 /nfs/dbraw/zinc/52/90/11/663529011.db2.gz DDIWXEDPPPHKAV-UHFFFAOYSA-N 0 3 307.350 0.753 20 5 DCBDHN Cn1cc([C@H]2[C@H](CNCC[N+](=O)[O-])CC(=O)N2C(C)(C)C)cn1 ZINC000905242246 663544124 /nfs/dbraw/zinc/54/41/24/663544124.db2.gz CBHYKSILJGRHFM-SMDDNHRTSA-N 0 3 323.397 0.975 20 5 DCBDHN CC(C)[C@@H](CN(C)C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000747887469 667914728 /nfs/dbraw/zinc/91/47/28/667914728.db2.gz AGGYEWOABFKINM-LLVKDONJSA-N 0 3 310.354 0.459 20 5 DCBDHN Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874846271 668225889 /nfs/dbraw/zinc/22/58/89/668225889.db2.gz XQYWVTIWQYWREM-GHMZBOCLSA-N 0 3 307.354 0.945 20 5 DCBDHN O=C1NCCN1CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000933590924 669507237 /nfs/dbraw/zinc/50/72/37/669507237.db2.gz ZPUVKXGURQHQDT-UHFFFAOYSA-N 0 3 322.369 0.529 20 5 DCBDHN Nc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000808157406 670393556 /nfs/dbraw/zinc/39/35/56/670393556.db2.gz WKTJCWHRKVVIGI-NWDGAFQWSA-N 0 3 320.349 0.458 20 5 DCBDHN CC(=O)NC[C@@H]1CCn2ncc(C(=O)OCC(C)[N+](=O)[O-])c2C1 ZINC000813112564 670612925 /nfs/dbraw/zinc/61/29/25/670612925.db2.gz IIFITMUMXYZNRT-MWLCHTKSSA-N 0 3 324.337 0.404 20 5 DCBDHN CC(COC(=O)CSCC(=O)N1CCCCC1)[N+](=O)[O-] ZINC000813113558 670613119 /nfs/dbraw/zinc/61/31/19/670613119.db2.gz RLQYJHZVMRYXNN-SNVBAGLBSA-N 0 3 304.368 0.941 20 5 DCBDHN CC(COC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)[N+](=O)[O-] ZINC000851037467 670963195 /nfs/dbraw/zinc/96/31/95/670963195.db2.gz YONNYOHOXXJAIC-RMLUDKJBSA-N 0 3 321.289 0.563 20 5 DCBDHN O=C1C[C@H](CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1 ZINC000851715434 671019569 /nfs/dbraw/zinc/01/95/69/671019569.db2.gz URYGBHWMMROYCW-LBPRGKRZSA-N 0 3 304.350 0.853 20 5 DCBDHN O=C1C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819132300 671097334 /nfs/dbraw/zinc/09/73/34/671097334.db2.gz VUYFAMXLEQAAFV-RISCZKNCSA-N 0 3 305.334 0.981 20 5 DCBDHN CCN1CCN([C@H](C)CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823301623 671384355 /nfs/dbraw/zinc/38/43/55/671384355.db2.gz MPSPGNJAKYPBMN-CYBMUJFWSA-N 0 3 314.430 0.964 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000824894681 671443277 /nfs/dbraw/zinc/44/32/77/671443277.db2.gz KUMROOJCXPXPON-CQSZACIVSA-N 0 3 307.354 0.700 20 5 DCBDHN C[C@H](N)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001573554703 1163497355 /nfs/dbraw/zinc/49/73/55/1163497355.db2.gz YZMBEDIAQBLWCL-JTQLQIEISA-N 0 3 307.354 0.632 20 5 DCBDHN C[C@@H](C(=O)NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1F ZINC001575069408 1163879080 /nfs/dbraw/zinc/87/90/80/1163879080.db2.gz LQSPISLLACCNOZ-MWLCHTKSSA-N 0 3 311.313 0.942 20 5 DCBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CNCCO2)c1F ZINC001579642626 1165370261 /nfs/dbraw/zinc/37/02/61/1165370261.db2.gz NANHXNWYPFAXAN-QMMMGPOBSA-N 0 3 315.276 0.900 20 5 DCBDHN CC[N@H+](C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590678440 1166967311 /nfs/dbraw/zinc/96/73/11/1166967311.db2.gz SUXHDVYPBNWOMX-SNVBAGLBSA-N 0 3 318.341 0.700 20 5 DCBDHN CC[N@@H+](C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590678440 1166967315 /nfs/dbraw/zinc/96/73/15/1166967315.db2.gz SUXHDVYPBNWOMX-SNVBAGLBSA-N 0 3 318.341 0.700 20 5 DCBDHN CC[N@H+](C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590678440 1166967320 /nfs/dbraw/zinc/96/73/20/1166967320.db2.gz SUXHDVYPBNWOMX-SNVBAGLBSA-N 0 3 318.341 0.700 20 5 DCBDHN CC[N@@H+](C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590678440 1166967329 /nfs/dbraw/zinc/96/73/29/1166967329.db2.gz SUXHDVYPBNWOMX-SNVBAGLBSA-N 0 3 318.341 0.700 20 5 DCBDHN C[NH+](C)C[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591012642 1167078229 /nfs/dbraw/zinc/07/82/29/1167078229.db2.gz SPFOFWABJKNWCV-ZDUSSCGKSA-N 0 3 321.341 0.499 20 5 DCBDHN C[NH+](C)C[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591012642 1167078234 /nfs/dbraw/zinc/07/82/34/1167078234.db2.gz SPFOFWABJKNWCV-ZDUSSCGKSA-N 0 3 321.341 0.499 20 5 DCBDHN O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC001593475958 1167864962 /nfs/dbraw/zinc/86/49/62/1167864962.db2.gz HIIFVDJXNUQKQL-RKDXNWHRSA-N 0 3 301.310 0.431 20 5 DCBDHN O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC001593475958 1167864971 /nfs/dbraw/zinc/86/49/71/1167864971.db2.gz HIIFVDJXNUQKQL-RKDXNWHRSA-N 0 3 301.310 0.431 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001626175166 1169595521 /nfs/dbraw/zinc/59/55/21/1169595521.db2.gz RPDOYKXKXLDEGB-VXGBXAGGSA-N 0 3 320.349 0.770 20 5 DCBDHN C[C@@H]1[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1C ZINC001612939395 1171366688 /nfs/dbraw/zinc/36/66/88/1171366688.db2.gz CHMAUODMQVSLQV-SCZZXKLOSA-N 0 3 314.367 0.747 20 5 DCBDHN CN1CCC(CCO)(NC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001632173319 1171613510 /nfs/dbraw/zinc/61/35/10/1171613510.db2.gz UXUDPCQMUCJPQT-UHFFFAOYSA-N 0 3 322.365 0.754 20 5 DCBDHN O=C(N[C@H](CO)CN1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641856928 1171931034 /nfs/dbraw/zinc/93/10/34/1171931034.db2.gz HQEAJMAIKKSMBG-JSGCOSHPSA-N 0 3 323.349 0.201 20 5 DCBDHN Cn1cc(CN[C@H](CC(N)=O)C2CCOCC2)c([N+](=O)[O-])n1 ZINC001642673508 1171953590 /nfs/dbraw/zinc/95/35/90/1171953590.db2.gz XZHNWIRGRQBSRO-LLVKDONJSA-N 0 3 311.342 0.089 20 5 DCBDHN C[C@@H]1CN(CCO)[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659064043 1173928722 /nfs/dbraw/zinc/92/87/22/1173928722.db2.gz IQLCEGHDSKRNNZ-OLZOCXBDSA-N 0 3 324.381 0.143 20 5 DCBDHN O=C(NCC=CCNCc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC001732918841 1186059585 /nfs/dbraw/zinc/05/95/85/1186059585.db2.gz MULJDEWMIPTBEU-ONEGZZNKSA-N 0 3 316.321 0.789 20 5 DCBDHN NC(=O)C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001753668376 1188637523 /nfs/dbraw/zinc/63/75/23/1188637523.db2.gz XRRKPOOWKUIBCX-UHFFFAOYSA-N 0 3 320.349 0.599 20 5 DCBDHN O=C(NCCNCc1cc(-c2ccco2)on1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936939 750149566 /nfs/dbraw/zinc/14/95/66/750149566.db2.gz XSRZIAKXZXMSBH-GHMZBOCLSA-N 0 3 320.305 0.806 20 5 DCBDHN CCc1cnc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001086083339 759693120 /nfs/dbraw/zinc/69/31/20/759693120.db2.gz VUBUQCDNKRUZDD-LYIQGSDWSA-N 0 3 322.365 0.887 20 5 DCBDHN O=C(NC[C@H]1C[C@@H](NCc2nncs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084535 759695072 /nfs/dbraw/zinc/69/50/72/759695072.db2.gz UTTZYMDDQQTHEI-UTINFBMNSA-N 0 3 311.367 0.188 20 5 DCBDHN CCc1cnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001086363466 760101583 /nfs/dbraw/zinc/10/15/83/760101583.db2.gz VUBUQCDNKRUZDD-FPQZTECRSA-N 0 3 322.365 0.887 20 5 DCBDHN O=C(NC[C@H]1C[C@H](NCc2cscn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363968 760106692 /nfs/dbraw/zinc/10/66/92/760106692.db2.gz PAXHUPWPJOJPLB-CNVPUSNMSA-N 0 3 310.379 0.793 20 5 DCBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c2c1CNC2=O)[C@H]1CNCCO1 ZINC001170569971 763866961 /nfs/dbraw/zinc/86/69/61/763866961.db2.gz BLVRYOHYEUNEJU-PRHODGIISA-N 0 3 306.322 0.627 20 5 DCBDHN CNC(=O)C1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001135250449 765855909 /nfs/dbraw/zinc/85/59/09/765855909.db2.gz OYUMSNYNMFKUAM-UHFFFAOYSA-N 0 3 320.349 0.327 20 5 DCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC001136492172 766310874 /nfs/dbraw/zinc/31/08/74/766310874.db2.gz SPVSKSZFCZCVPX-WCQYABFASA-N 0 3 320.349 0.891 20 5 DCBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001122182442 767734053 /nfs/dbraw/zinc/73/40/53/767734053.db2.gz VJHHAEOVCVCCEN-DCAQKATOSA-N 0 3 308.338 0.354 20 5 DCBDHN Cn1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001151085165 769257150 /nfs/dbraw/zinc/25/71/50/769257150.db2.gz YYTOUXSDJUYNET-UHFFFAOYSA-N 0 3 303.322 0.848 20 5 DCBDHN Cc1ccnc(NCc2nnn3c2CNCCC3)c1[N+](=O)[O-] ZINC001155394266 770490348 /nfs/dbraw/zinc/49/03/48/770490348.db2.gz QMGUYMXCKZBOCT-UHFFFAOYSA-N 0 3 303.326 0.995 20 5 DCBDHN Cn1cnc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])n1 ZINC001157494003 771620001 /nfs/dbraw/zinc/62/00/01/771620001.db2.gz SRCJAEMGFGCBAC-UHFFFAOYSA-N 0 3 318.337 0.633 20 5 DCBDHN CCCc1noc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157767499 771665907 /nfs/dbraw/zinc/66/59/07/771665907.db2.gz PBMXYSUCWLBCAY-NXEZZACHSA-N 0 3 311.342 0.283 20 5 DCBDHN COC(=O)c1ccnc(N[C@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159497215 771919531 /nfs/dbraw/zinc/91/95/31/771919531.db2.gz HESOZBRVYRGXNB-SCZZXKLOSA-N 0 3 310.310 0.565 20 5 DCBDHN NCc1cn(-c2cc([N+](=O)[O-])cc(Br)[n+]2[O-])cn1 ZINC001162302608 772356043 /nfs/dbraw/zinc/35/60/43/772356043.db2.gz WGHWLTWNAXNZOO-UHFFFAOYSA-N 0 3 314.099 0.635 20 5 DCBDHN CCN1CCN(CCNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC001318555670 945401083 /nfs/dbraw/zinc/40/10/83/945401083.db2.gz QRVYNFVXIYYYLU-UHFFFAOYSA-N 0 3 324.385 0.004 20 5 DCBDHN COC(=O)CNC(=O)[C@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254544710 946406163 /nfs/dbraw/zinc/40/61/63/946406163.db2.gz KFQLSVVHOTUTIC-MNOVXSKESA-N 0 3 323.349 0.793 20 5 DCBDHN Cc1nc(C)c(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001323443972 947084466 /nfs/dbraw/zinc/08/44/66/947084466.db2.gz TVJAMCUYMNQXKT-GHMZBOCLSA-N 0 3 308.338 0.695 20 5 DCBDHN CC(C)OCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001490792780 951108855 /nfs/dbraw/zinc/10/88/55/951108855.db2.gz NLYRNRPQGMVEJF-XJFOESAGSA-N 0 3 311.382 0.752 20 5 DCBDHN Cc1cncc([N+](=O)[O-])c1N1CCN(CCN(C)C)C(=O)C1 ZINC001332595170 951713741 /nfs/dbraw/zinc/71/37/41/951713741.db2.gz VDAQGMFNTRULJG-UHFFFAOYSA-N 0 3 307.354 0.508 20 5 DCBDHN CN1CCNC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001340001592 953137385 /nfs/dbraw/zinc/13/73/85/953137385.db2.gz FWSPGVSJSFWRSO-GFCCVEGCSA-N 0 3 312.757 0.768 20 5 DCBDHN Cc1c(CC(=O)N[C@@H]2COC3(CNC3)C2)cccc1[N+](=O)[O-] ZINC001340736079 953191168 /nfs/dbraw/zinc/19/11/68/953191168.db2.gz RVXSMVCIYSUYFV-LBPRGKRZSA-N 0 3 305.334 0.693 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3nnc[nH]3)CC2)c1 ZINC001354498012 956408687 /nfs/dbraw/zinc/40/86/87/956408687.db2.gz DRWKGWVHSNJAOB-GFCCVEGCSA-N 0 3 321.341 0.150 20 5 DCBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CCN(C)C1 ZINC001466683537 1016099836 /nfs/dbraw/zinc/09/98/36/1016099836.db2.gz SYRPPYHBUTVZRY-OAHLLOKOSA-N 0 3 323.349 0.790 20 5 DCBDHN CN1CCC(N(CCO)C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001557254300 1012270622 /nfs/dbraw/zinc/27/06/22/1012270622.db2.gz JESMFASGJXJMDY-UHFFFAOYSA-N 0 3 323.353 0.101 20 5 DCBDHN COc1cc(CNC[C@@H]2CN(C)CCN2C)c([N+](=O)[O-])cc1O ZINC001461195477 1013014695 /nfs/dbraw/zinc/01/46/95/1013014695.db2.gz LYBJVDLWINDHOP-GFCCVEGCSA-N 0 3 324.381 0.644 20 5 DCBDHN CCN1C[C@@H](C)N(c2nnc(CCC[N+](=O)[O-])n2C)C[C@H]1C ZINC001519565661 1017218561 /nfs/dbraw/zinc/21/85/61/1017218561.db2.gz CPBZKIRPKWLXES-VXGBXAGGSA-N 0 3 310.402 0.943 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(C)n[nH]1 ZINC001497257234 1018001004 /nfs/dbraw/zinc/00/10/04/1018001004.db2.gz UUYVMJDLCVPILC-ZYHUDNBSSA-N 0 3 323.353 0.352 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(C)[nH]n1 ZINC001497257234 1018001017 /nfs/dbraw/zinc/00/10/17/1018001017.db2.gz UUYVMJDLCVPILC-ZYHUDNBSSA-N 0 3 323.353 0.352 20 5 DCBDHN CN1CCC(O)(CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272746174 210151551 /nfs/dbraw/zinc/15/15/51/210151551.db2.gz SAXLRIFZOHHTOK-UHFFFAOYSA-N 0 3 309.326 0.568 20 5 DCBDHN Cc1cc(C(=O)NCC(=O)N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000286950164 219240339 /nfs/dbraw/zinc/24/03/39/219240339.db2.gz KLPKGNSHSHTEQI-NSHDSACASA-N 0 3 322.365 0.699 20 5 DCBDHN NC(=O)[C@@H](Cc1ccc(F)cc1)NCCn1cc([N+](=O)[O-])cn1 ZINC000273047658 283313019 /nfs/dbraw/zinc/31/30/19/283313019.db2.gz WLCKOBBECVWKLX-CYBMUJFWSA-N 0 3 321.312 0.617 20 5 DCBDHN O=C(C[C@H]1CNCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000157471800 237057694 /nfs/dbraw/zinc/05/76/94/237057694.db2.gz XEDJVSSPRFMALP-AWEZNQCLSA-N 0 3 305.334 0.858 20 5 DCBDHN CN1CC=C(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000271866741 209281623 /nfs/dbraw/zinc/28/16/23/209281623.db2.gz JJUODKLILSYDGK-UHFFFAOYSA-N 0 3 318.333 0.911 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H](O)C(F)F ZINC000566231447 291285180 /nfs/dbraw/zinc/28/51/80/291285180.db2.gz CADZPPMDXRXATE-PSASIEDQSA-N 0 3 306.265 0.550 20 5 DCBDHN C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCN1 ZINC000420331659 240022731 /nfs/dbraw/zinc/02/27/31/240022731.db2.gz FOKFAVOZFNNARM-NSHDSACASA-N 0 3 304.350 0.778 20 5 DCBDHN C[C@H](CN)NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420018980 240006313 /nfs/dbraw/zinc/00/63/13/240006313.db2.gz ZGMKWCHQOIXMGJ-SNVBAGLBSA-N 0 3 320.349 0.549 20 5 DCBDHN O=C(CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])NCC1CC1 ZINC000569687420 291490595 /nfs/dbraw/zinc/49/05/95/291490595.db2.gz SUJHSZNYCVJWHF-GFCCVEGCSA-N 0 3 323.349 0.450 20 5 DCBDHN CN(C)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000339860775 253155712 /nfs/dbraw/zinc/15/57/12/253155712.db2.gz DYWAWXQVFZOAIQ-UHFFFAOYSA-N 0 3 308.338 0.393 20 5 DCBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346154025 254015849 /nfs/dbraw/zinc/01/58/49/254015849.db2.gz ILBAIENOAIZIOQ-YNEHKIRRSA-N 0 3 321.381 0.980 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)C1CCOCC1 ZINC000275472071 130325221 /nfs/dbraw/zinc/32/52/21/130325221.db2.gz CTIKVVGPEGFKBH-UHFFFAOYSA-N 0 3 311.338 0.230 20 5 DCBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC[N@@H+]1CC(C)(C)O ZINC000275542969 130332348 /nfs/dbraw/zinc/33/23/48/130332348.db2.gz GZKPETZRLFKAFD-SNVBAGLBSA-N 0 3 310.354 0.840 20 5 DCBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC[N@H+]1CC(C)(C)O ZINC000275542969 130332351 /nfs/dbraw/zinc/33/23/51/130332351.db2.gz GZKPETZRLFKAFD-SNVBAGLBSA-N 0 3 310.354 0.840 20 5 DCBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285463888 131170151 /nfs/dbraw/zinc/17/01/51/131170151.db2.gz UHZMPODGLWXCLW-UHFFFAOYSA-N 0 3 323.353 0.693 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2ccncc2)CC1 ZINC000045054304 395760845 /nfs/dbraw/zinc/76/08/45/395760845.db2.gz IWDXTAKNQQSDTP-UHFFFAOYSA-N 0 3 316.321 0.535 20 5 DCBDHN CCN(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118109410 395860130 /nfs/dbraw/zinc/86/01/30/395860130.db2.gz MEHYNJMAPRWFTD-UHFFFAOYSA-N 0 3 308.338 0.910 20 5 DCBDHN CS[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1N(C)C ZINC000271215821 395847422 /nfs/dbraw/zinc/84/74/22/395847422.db2.gz ZFTLGDHLUCDPDV-UWVGGRQHSA-N 0 3 313.383 0.295 20 5 DCBDHN CCN1CCN(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272449549 395892424 /nfs/dbraw/zinc/89/24/24/395892424.db2.gz NJHMGSOLDYPQKE-UHFFFAOYSA-N 0 3 321.381 0.544 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272503930 395895572 /nfs/dbraw/zinc/89/55/72/395895572.db2.gz OBISSYSFQSMJDC-NWDGAFQWSA-N 0 3 307.354 0.652 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1N1CCC(CN2CCOCC2)CC1 ZINC000052326001 395862528 /nfs/dbraw/zinc/86/25/28/395862528.db2.gz UIAKUTGDOCARJO-UHFFFAOYSA-N 0 3 309.370 0.877 20 5 DCBDHN CCN(CC)CC(=O)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273667158 395936372 /nfs/dbraw/zinc/93/63/72/395936372.db2.gz XCAVCXBVQIRVEX-UHFFFAOYSA-N 0 3 322.369 0.375 20 5 DCBDHN Cn1ccnc1[C@@H]1CNCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000261678730 396055528 /nfs/dbraw/zinc/05/55/28/396055528.db2.gz CUZYOIGJFIEZPO-LBPRGKRZSA-N 0 3 305.342 0.171 20 5 DCBDHN COCCN(C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000171127106 396108177 /nfs/dbraw/zinc/10/81/77/396108177.db2.gz YBTGNPUOUQWKQE-UHFFFAOYSA-N 0 3 313.358 0.184 20 5 DCBDHN C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CN1C1CC1 ZINC000177188899 396168771 /nfs/dbraw/zinc/16/87/71/396168771.db2.gz SBTOMTORYABSDP-QWRGUYRKSA-N 0 3 320.349 0.498 20 5 DCBDHN NC(=O)c1ccc(CN[C@@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000184845348 396308363 /nfs/dbraw/zinc/30/83/63/396308363.db2.gz CSSGFZJNQMBAFM-VXGBXAGGSA-N 0 3 320.349 0.827 20 5 DCBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O)C1CC1 ZINC000290818618 396473247 /nfs/dbraw/zinc/47/32/47/396473247.db2.gz SFAWUHGIJINRNV-SNVBAGLBSA-N 0 3 301.730 0.865 20 5 DCBDHN CCN1CC[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000294012712 396648446 /nfs/dbraw/zinc/64/84/46/396648446.db2.gz YOIHBXHHSXGJHE-WDEREUQCSA-N 0 3 323.353 0.562 20 5 DCBDHN CCN1CC[C@H]2OCCN(C(=O)c3[nH]nc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000294012712 396648451 /nfs/dbraw/zinc/64/84/51/396648451.db2.gz YOIHBXHHSXGJHE-WDEREUQCSA-N 0 3 323.353 0.562 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc2c(s1)CCNC2 ZINC000595926163 396683678 /nfs/dbraw/zinc/68/36/78/396683678.db2.gz HBNLZMXFMSNSFN-UHFFFAOYSA-N 0 3 321.362 0.929 20 5 DCBDHN CCc1cnccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000563013308 396693173 /nfs/dbraw/zinc/69/31/73/396693173.db2.gz IHDKMCXXEGSCOC-AWEZNQCLSA-N 0 3 305.338 0.899 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000588866500 396697051 /nfs/dbraw/zinc/69/70/51/396697051.db2.gz KILWHNBKUPFFKF-SNVBAGLBSA-N 0 3 318.333 0.795 20 5 DCBDHN COC(=O)[C@H]1C[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596067011 396713857 /nfs/dbraw/zinc/71/38/57/396713857.db2.gz JEPJYXJVSYBQPI-NQBHXWOUSA-N 0 3 324.333 0.876 20 5 DCBDHN COC(=O)[C@H]1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596067010 396714194 /nfs/dbraw/zinc/71/41/94/396714194.db2.gz JEPJYXJVSYBQPI-GVXVVHGQSA-N 0 3 324.333 0.876 20 5 DCBDHN CN(C)CCN(CC(=O)N(C)C)c1ncc([N+](=O)[O-])s1 ZINC000596461731 396781722 /nfs/dbraw/zinc/78/17/22/396781722.db2.gz IVYNEUBOQXFHKP-UHFFFAOYSA-N 0 3 301.372 0.508 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000610925369 396784884 /nfs/dbraw/zinc/78/48/84/396784884.db2.gz AQWJNTPQOOAZTN-GFCCVEGCSA-N 0 3 322.365 0.916 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000590549667 396792569 /nfs/dbraw/zinc/79/25/69/396792569.db2.gz NIWNZRCVSVTASB-NSHDSACASA-N 0 3 310.354 0.070 20 5 DCBDHN C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCN1CC(C)(C)O ZINC000596222839 396736552 /nfs/dbraw/zinc/73/65/52/396736552.db2.gz NMUPFRHZVKYTEL-SNVBAGLBSA-N 0 3 309.370 0.853 20 5 DCBDHN CN(C)CC1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596247195 396742691 /nfs/dbraw/zinc/74/26/91/396742691.db2.gz MKZAXRLTYJEXRJ-UHFFFAOYSA-N 0 3 313.379 0.996 20 5 DCBDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000563534290 396748473 /nfs/dbraw/zinc/74/84/73/396748473.db2.gz GEMGUQXNVUKWJG-UHFFFAOYSA-N 0 3 302.356 0.786 20 5 DCBDHN NC(=O)C1(O)CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000590737801 396829264 /nfs/dbraw/zinc/82/92/64/396829264.db2.gz KEGJDRFORPIGLM-UHFFFAOYSA-N 0 3 323.349 0.676 20 5 DCBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CN2CCN1CCC2 ZINC000611200841 396834230 /nfs/dbraw/zinc/83/42/30/396834230.db2.gz DOQRTNCRRIMROD-CQSZACIVSA-N 0 3 304.350 0.601 20 5 DCBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NCCN1CC[C@H](O)C1 ZINC000600807462 396945882 /nfs/dbraw/zinc/94/58/82/396945882.db2.gz DSPXEDGYSAJETQ-AWEZNQCLSA-N 0 3 307.350 0.710 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572060117 397016754 /nfs/dbraw/zinc/01/67/54/397016754.db2.gz RBSPJFQFPNTZEN-AAEUAGOBSA-N 0 3 318.333 0.287 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CNCCC1(F)F ZINC000591686718 396977551 /nfs/dbraw/zinc/97/75/51/396977551.db2.gz RPOLLSGDAUPHMK-SECBINFHSA-N 0 3 303.269 0.152 20 5 DCBDHN O=C(CCOC1CNC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000349022569 397058276 /nfs/dbraw/zinc/05/82/76/397058276.db2.gz AFOJHZCFXUZFAH-UHFFFAOYSA-N 0 3 308.338 0.501 20 5 DCBDHN O=C([N-]c1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000573719250 397198322 /nfs/dbraw/zinc/19/83/22/397198322.db2.gz AYWONAVOJZRTQZ-UHFFFAOYSA-N 0 3 323.338 0.436 20 5 DCBDHN NC(=O)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000578618812 397460503 /nfs/dbraw/zinc/46/05/03/397460503.db2.gz SVWFSFMLQXICIC-CYBMUJFWSA-N 0 3 319.321 0.041 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599939266 397545477 /nfs/dbraw/zinc/54/54/77/397545477.db2.gz UQVDETFDWKDDJY-JQWIXIFHSA-N 0 3 308.338 0.214 20 5 DCBDHN Cc1[nH]nc(C(=O)Nc2cnn(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000604550562 397642859 /nfs/dbraw/zinc/64/28/59/397642859.db2.gz ANCQYPBEXHDUHV-UHFFFAOYSA-N 0 3 307.314 0.637 20 5 DCBDHN CN(C[C@@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)C1CC1 ZINC000324249442 159013106 /nfs/dbraw/zinc/01/31/06/159013106.db2.gz KBKOUSATVPCJRR-GFCCVEGCSA-N 0 3 318.333 0.760 20 5 DCBDHN C[C@@]1(F)CNCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000420337543 287291491 /nfs/dbraw/zinc/29/14/91/287291491.db2.gz RAQBNWGUBLXYGX-CQSZACIVSA-N 0 3 310.329 0.827 20 5 DCBDHN Cc1nn(C)c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268189736 415172221 /nfs/dbraw/zinc/17/22/21/415172221.db2.gz MVNJQPPWAJUJEL-KWQFWETISA-N 0 3 307.354 0.849 20 5 DCBDHN Cc1c(NC(=O)CCN(C)[C@H]2COC[C@H]2O)cccc1[N+](=O)[O-] ZINC000352820526 415338271 /nfs/dbraw/zinc/33/82/71/415338271.db2.gz YXZAFDBSSAJBGB-UONOGXRCSA-N 0 3 323.349 0.923 20 5 DCBDHN COC(=O)COc1ccc(CNC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000353762357 415651403 /nfs/dbraw/zinc/65/14/03/415651403.db2.gz FWDLHRPOSWQWEV-SNVBAGLBSA-N 0 3 312.322 0.865 20 5 DCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000121182365 415797464 /nfs/dbraw/zinc/79/74/64/415797464.db2.gz FPJBDNORXHCRKP-YPMHNXCESA-N 0 3 309.370 0.980 20 5 DCBDHN CN(C)CCn1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])n1 ZINC000354432927 415798691 /nfs/dbraw/zinc/79/86/91/415798691.db2.gz CIQLHCOVYGUMHF-UHFFFAOYSA-N 0 3 318.337 1.187 20 5 DCBDHN Cc1cc(C(=O)NC[C@@](C)(O)CN(C)C)c(N)c([N+](=O)[O-])c1 ZINC000152667825 415967419 /nfs/dbraw/zinc/96/74/19/415967419.db2.gz AXBHIKRDHGTMTL-CQSZACIVSA-N 0 3 310.354 0.528 20 5 DCBDHN CC1(C)CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000155169327 415995659 /nfs/dbraw/zinc/99/56/59/415995659.db2.gz XAIHYFXIERECIZ-UHFFFAOYSA-N 0 3 320.349 0.535 20 5 DCBDHN COCCCN1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301170330 416076712 /nfs/dbraw/zinc/07/67/12/416076712.db2.gz WVBWNGTWHWVUFF-UHFFFAOYSA-N 0 3 310.358 0.880 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN(C)C ZINC000357598459 416103744 /nfs/dbraw/zinc/10/37/44/416103744.db2.gz VFPXNIUAWFXHIS-SNVBAGLBSA-N 0 3 308.338 0.908 20 5 DCBDHN CCCc1n[nH]c(C(=O)NC[C@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000358046982 416177027 /nfs/dbraw/zinc/17/70/27/416177027.db2.gz LFIIZOQNLSPIAR-CYBMUJFWSA-N 0 3 311.342 0.067 20 5 DCBDHN Cc1nn(C)c(C(=O)N2CCO[C@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000330690997 416230796 /nfs/dbraw/zinc/23/07/96/416230796.db2.gz GFEPDYMUPGGBLW-SNVBAGLBSA-N 0 3 311.342 0.039 20 5 DCBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345859310 416160006 /nfs/dbraw/zinc/16/00/06/416160006.db2.gz SCURFTQCNSHRFO-GFCCVEGCSA-N 0 3 323.397 0.689 20 5 DCBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000331296704 416304931 /nfs/dbraw/zinc/30/49/31/416304931.db2.gz OAQGKSDTAUXSDJ-LLVKDONJSA-N 0 3 311.386 0.605 20 5 DCBDHN CNc1nccc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000582190032 416448678 /nfs/dbraw/zinc/44/86/78/416448678.db2.gz IFWGGBBQAQNSLP-JTQLQIEISA-N 0 3 319.365 1.246 20 5 DCBDHN CNc1nccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000594370432 416559735 /nfs/dbraw/zinc/55/97/35/416559735.db2.gz LXMRAKSIZKKBDD-GXSJLCMTSA-N 0 3 305.338 0.808 20 5 DCBDHN CNc1nccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000584359493 416513588 /nfs/dbraw/zinc/51/35/88/416513588.db2.gz DTIHNWZZNWMTFZ-UWVGGRQHSA-N 0 3 319.365 1.387 20 5 DCBDHN C[C@@H](CN)N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000429321619 416964103 /nfs/dbraw/zinc/96/41/03/416964103.db2.gz YMHCHDDASMRGSE-QMMMGPOBSA-N 0 3 315.351 0.418 20 5 DCBDHN CN1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000569104278 417212937 /nfs/dbraw/zinc/21/29/37/417212937.db2.gz BYDKGTBLGMRPGU-LBPRGKRZSA-N 0 3 322.365 0.465 20 5 DCBDHN Nc1c(C(=O)NC[C@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000452373195 417476205 /nfs/dbraw/zinc/47/62/05/417476205.db2.gz VNHBLEIWJZMNHQ-LLVKDONJSA-N 0 3 322.365 0.754 20 5 DCBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576053077 417576100 /nfs/dbraw/zinc/57/61/00/417576100.db2.gz AZGLCZZRCKRQFG-LERXQTSPSA-N 0 3 304.350 0.900 20 5 DCBDHN NC[C@H]1CCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418870467 262294335 /nfs/dbraw/zinc/29/43/35/262294335.db2.gz PKGLJOUQBJJVOY-CYBMUJFWSA-N 0 3 320.349 0.203 20 5 DCBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000564227828 288732722 /nfs/dbraw/zinc/73/27/22/288732722.db2.gz ROLSMLLLOLKTBE-GHMZBOCLSA-N 0 3 305.338 0.355 20 5 DCBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183460633 333185161 /nfs/dbraw/zinc/18/51/61/333185161.db2.gz NWRMXVXYPCRQRO-UHFFFAOYSA-N 0 3 311.342 0.270 20 5 DCBDHN CO[C@@H]1COC[C@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582664107 337117756 /nfs/dbraw/zinc/11/77/56/337117756.db2.gz ZTFXMVYIYXJUGV-IACUBPJLSA-N 0 3 312.322 0.338 20 5 DCBDHN CNCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237199673 521959506 /nfs/dbraw/zinc/95/95/06/521959506.db2.gz CIDINYLOJAPDHI-UHFFFAOYSA-N 0 3 306.322 0.099 20 5 DCBDHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000249127885 524505727 /nfs/dbraw/zinc/50/57/27/524505727.db2.gz XPLYIQFYZIYRBJ-ZYHUDNBSSA-N 0 3 300.384 0.980 20 5 DCBDHN O=C(CCN(CCO)CCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000128504215 526474102 /nfs/dbraw/zinc/47/41/02/526474102.db2.gz LWWJDYKMIREZLC-UHFFFAOYSA-N 0 3 315.301 0.349 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000266900109 527416454 /nfs/dbraw/zinc/41/64/54/527416454.db2.gz GIWUYIDPHPDPNI-WCQYABFASA-N 0 3 320.353 0.755 20 5 DCBDHN CN1C[C@@H]2CCCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425047946 536487808 /nfs/dbraw/zinc/48/78/08/536487808.db2.gz ASWANZVOGPYPKT-NWDGAFQWSA-N 0 3 320.349 0.309 20 5 DCBDHN Cc1noc(CN2CC[C@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000934271280 658264866 /nfs/dbraw/zinc/26/48/66/658264866.db2.gz GFEPIFBPIWPTSO-RYUDHWBXSA-N 0 3 310.354 0.922 20 5 DCBDHN O=C(NCC1=CCN(Cc2ccccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000672526 665914334 /nfs/dbraw/zinc/91/43/34/665914334.db2.gz XYNUOXKLXDOIEN-HUUCEWRRSA-N 0 3 316.361 0.995 20 5 DCBDHN Cc1nn(CN2CC[C@@H]3[C@H]2CCCN3CCO)c(C)c1[N+](=O)[O-] ZINC000902645771 663425597 /nfs/dbraw/zinc/42/55/97/663425597.db2.gz YGWKIYSEGOOQDL-ZIAGYGMSSA-N 0 3 323.397 0.897 20 5 DCBDHN C[C@@H](NC[C@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285306 663451002 /nfs/dbraw/zinc/45/10/02/663451002.db2.gz IRTAEYJUVVYHFS-DOMZBBRYSA-N 0 3 309.366 0.939 20 5 DCBDHN CN1CC[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000905547084 663563023 /nfs/dbraw/zinc/56/30/23/663563023.db2.gz SGWVNRZKAJZOLZ-GFCCVEGCSA-N 0 3 313.379 0.662 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1N1CCC(N2CCN(C)CC2)CC1 ZINC000866215211 667368607 /nfs/dbraw/zinc/36/86/07/667368607.db2.gz WFYFLXIKXDZLBT-UHFFFAOYSA-N 0 3 308.386 0.545 20 5 DCBDHN CC(C)[C@H](CN(C)C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000747887470 667914735 /nfs/dbraw/zinc/91/47/35/667914735.db2.gz AGGYEWOABFKINM-NSHDSACASA-N 0 3 310.354 0.459 20 5 DCBDHN O=C(OCCn1cnc([N+](=O)[O-])n1)C1CCN(C2CC2)CC1 ZINC000805891948 669498338 /nfs/dbraw/zinc/49/83/38/669498338.db2.gz HUTKKFKDDTUPFU-UHFFFAOYSA-N 0 3 309.326 0.604 20 5 DCBDHN Cn1cc(CN2CC[C@@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])n1 ZINC000934277057 669590659 /nfs/dbraw/zinc/59/06/59/669590659.db2.gz YEUZKZKGOQKBGN-QWHCGFSZSA-N 0 3 309.370 0.359 20 5 DCBDHN Cc1cc(F)cc(C(=O)N2CCOC3(CNC3)C2)c1[N+](=O)[O-] ZINC000854015566 670516008 /nfs/dbraw/zinc/51/60/08/670516008.db2.gz MTNUFEIPPMUTCW-UHFFFAOYSA-N 0 3 309.297 0.857 20 5 DCBDHN Nc1nccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000847406549 670549108 /nfs/dbraw/zinc/54/91/08/670549108.db2.gz DBBZXTZVXQRVLL-VHSXEESVSA-N 0 3 321.337 0.165 20 5 DCBDHN CC(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813102872 670610901 /nfs/dbraw/zinc/61/09/01/670610901.db2.gz KTHRZQSDGDPEDB-QMMMGPOBSA-N 0 3 311.250 0.533 20 5 DCBDHN CC(COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N+](=O)[O-] ZINC000813103210 670610969 /nfs/dbraw/zinc/61/09/69/670610969.db2.gz AXWOHPVSGLVEGY-QMMMGPOBSA-N 0 3 321.249 0.998 20 5 DCBDHN CC(COC(=O)CCn1c2ccccc2n(C)c1=O)[N+](=O)[O-] ZINC000813105251 670611398 /nfs/dbraw/zinc/61/13/98/670611398.db2.gz LDCFBKBOFBXKAV-SNVBAGLBSA-N 0 3 307.306 0.939 20 5 DCBDHN CC(COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)[N+](=O)[O-] ZINC000813114136 670613085 /nfs/dbraw/zinc/61/30/85/670613085.db2.gz MVIWZWRBKWFTEJ-MRVPVSSYSA-N 0 3 307.262 0.311 20 5 DCBDHN CC(C)(CCC(=O)N[C@H](CO)CN1CCCCC1)[N+](=O)[O-] ZINC000840454242 671267623 /nfs/dbraw/zinc/26/76/23/671267623.db2.gz XHYFOJUVTWVPAQ-LBPRGKRZSA-N 0 3 301.387 0.785 20 5 DCBDHN Cc1nnc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001126658948 1158241471 /nfs/dbraw/zinc/24/14/71/1158241471.db2.gz YMGCWKFFWIETRF-UHFFFAOYSA-N 0 3 319.321 0.735 20 5 DCBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CNCCO1 ZINC001576251517 1164280370 /nfs/dbraw/zinc/28/03/70/1164280370.db2.gz MFFWIKNTXZPMNE-TVQRCGJNSA-N 0 3 305.338 0.938 20 5 DCBDHN COc1c(C(=O)NC[C@]2(C)CNCCO2)cccc1[N+](=O)[O-] ZINC001579134843 1165219134 /nfs/dbraw/zinc/21/91/34/1165219134.db2.gz LXOTXNWJBATWED-AWEZNQCLSA-N 0 3 309.322 0.712 20 5 DCBDHN C[C@H](NS(=O)(=O)N1CCNCC1)c1ccccc1[N+](=O)[O-] ZINC001579485632 1165329140 /nfs/dbraw/zinc/32/91/40/1165329140.db2.gz BXRZXQDCHMYRKZ-JTQLQIEISA-N 0 3 314.367 0.395 20 5 DCBDHN NC(=O)c1cc(N2CC[C@]3(C2)CNCCO3)ccc1[N+](=O)[O-] ZINC001580101212 1165502726 /nfs/dbraw/zinc/50/27/26/1165502726.db2.gz NQXXBVDBGSMTJU-CQSZACIVSA-N 0 3 306.322 0.262 20 5 DCBDHN C[C@H](CC[NH+](C)C)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589821447 1166693405 /nfs/dbraw/zinc/69/34/05/1166693405.db2.gz RVAPXAFYBCCUEJ-MRVPVSSYSA-N 0 3 306.330 0.922 20 5 DCBDHN C[C@H](CC[NH+](C)C)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589821447 1166693408 /nfs/dbraw/zinc/69/34/08/1166693408.db2.gz RVAPXAFYBCCUEJ-MRVPVSSYSA-N 0 3 306.330 0.922 20 5 DCBDHN C[C@H](CCO)[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589835576 1166695631 /nfs/dbraw/zinc/69/56/31/1166695631.db2.gz WZXFWXKNUSIVAV-SECBINFHSA-N 0 3 306.326 0.978 20 5 DCBDHN C[C@H](CCO)[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589835576 1166695635 /nfs/dbraw/zinc/69/56/35/1166695635.db2.gz WZXFWXKNUSIVAV-SECBINFHSA-N 0 3 306.326 0.978 20 5 DCBDHN C[N@@H+]1CC[C@@](O)(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001604855444 1169710493 /nfs/dbraw/zinc/71/04/93/1169710493.db2.gz HVVKXJWNFWYXLK-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@@](O)(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001604855444 1169710498 /nfs/dbraw/zinc/71/04/98/1169710498.db2.gz HVVKXJWNFWYXLK-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@@H+]1CC[C@@](O)(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001604855444 1169710500 /nfs/dbraw/zinc/71/05/00/1169710500.db2.gz HVVKXJWNFWYXLK-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@@](O)(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001604855444 1169710504 /nfs/dbraw/zinc/71/05/04/1169710504.db2.gz HVVKXJWNFWYXLK-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN CN(CCNc1c(Cl)cncc1[N+](=O)[O-])CCOCCO ZINC001640319907 1171876295 /nfs/dbraw/zinc/87/62/95/1171876295.db2.gz DMHFTGXKFDNGEC-UHFFFAOYSA-N 0 3 318.761 0.418 20 5 DCBDHN COC[C@]1(CO)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001643116753 1171966518 /nfs/dbraw/zinc/96/65/18/1171966518.db2.gz CJIDQPORJCNLBI-HUUCEWRRSA-N 0 3 310.350 0.959 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCCn3nccc32)c1 ZINC001654611000 1173808369 /nfs/dbraw/zinc/80/83/69/1173808369.db2.gz RVEFOXSLCCHJJE-RYUDHWBXSA-N 0 3 306.326 0.473 20 5 DCBDHN Cc1nn(C)cc1CN(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715519175 1181838872 /nfs/dbraw/zinc/83/88/72/1181838872.db2.gz SSPBYMMKGXGRSF-CHWSQXEVSA-N 0 3 309.370 0.284 20 5 DCBDHN Cc1ncc(C(=O)N(C)CCNCc2c([N+](=O)[O-])ncn2C)[nH]1 ZINC001731899215 1185558006 /nfs/dbraw/zinc/55/80/06/1185558006.db2.gz TUENRPXBPYIHHK-UHFFFAOYSA-N 0 3 321.341 0.222 20 5 DCBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(N)=O ZINC001753200375 1188532531 /nfs/dbraw/zinc/53/25/31/1188532531.db2.gz ZAUCPNDQJJAVME-UHFFFAOYSA-N 0 3 322.365 0.654 20 5 DCBDHN Cc1ncc(CN)c(=N)n1-c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167674429 747513949 /nfs/dbraw/zinc/51/39/49/747513949.db2.gz PFUDNECNPVHPCN-UHFFFAOYSA-N 0 3 300.322 0.630 20 5 DCBDHN O=C(CN1CCOCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125889457 747990476 /nfs/dbraw/zinc/99/04/76/747990476.db2.gz BFWPCDXTPWVSLD-UHFFFAOYSA-N 0 3 322.365 0.133 20 5 DCBDHN CCCc1n[nH]c(C(=O)N(C)CCN(C)CCO)c1[N+](=O)[O-] ZINC001168340382 749923871 /nfs/dbraw/zinc/92/38/71/749923871.db2.gz PBATXLLBSFKLHI-UHFFFAOYSA-N 0 3 313.358 0.267 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])ncc1NC(=N)N1CCN(C)CC1 ZINC001168740905 754045262 /nfs/dbraw/zinc/04/52/62/754045262.db2.gz RJWGYFKSIGHNRC-UHFFFAOYSA-N 0 3 322.325 0.370 20 5 DCBDHN Cc1ccnc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086083425 759693305 /nfs/dbraw/zinc/69/33/05/759693305.db2.gz YKMDTBHBTUGUQM-YVECIDJPSA-N 0 3 319.365 0.435 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1=COCCO1 ZINC001123019863 767916125 /nfs/dbraw/zinc/91/61/25/767916125.db2.gz SBCMGCAWWNBIIN-UHFFFAOYSA-N 0 3 307.306 0.689 20 5 DCBDHN CN(C)S(=O)(=O)CCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168866310 760481440 /nfs/dbraw/zinc/48/14/40/760481440.db2.gz CPGZJKQIAWMDJY-UHFFFAOYSA-N 0 3 314.367 0.501 20 5 DCBDHN Cn1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001123348401 767967546 /nfs/dbraw/zinc/96/75/46/767967546.db2.gz YFLLHAZTCMZZNA-UHFFFAOYSA-N 0 3 303.322 0.848 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCC(C)CC1 ZINC001119775533 766807744 /nfs/dbraw/zinc/80/77/44/766807744.db2.gz BNSUDRYUDKGNTD-UHFFFAOYSA-N 0 3 309.370 0.948 20 5 DCBDHN CNC(=O)C1(NCCOc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001176184742 770044905 /nfs/dbraw/zinc/04/49/05/770044905.db2.gz LFIZGLQHASTPOZ-UHFFFAOYSA-N 0 3 323.349 0.858 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccncc1 ZINC001154144823 770091595 /nfs/dbraw/zinc/09/15/95/770091595.db2.gz KEXQFDCNEBYDLN-UHFFFAOYSA-N 0 3 318.337 0.633 20 5 DCBDHN CN(C)C[C@H]1COCCN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001154978697 770357510 /nfs/dbraw/zinc/35/75/10/770357510.db2.gz UBUBJXLXSYDBQL-JTQLQIEISA-N 0 3 316.745 0.648 20 5 DCBDHN Cc1ocnc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001155324253 770467772 /nfs/dbraw/zinc/46/77/72/770467772.db2.gz LYBFMGGSWBZJJT-UHFFFAOYSA-N 0 3 322.325 0.534 20 5 DCBDHN Cc1cc([N+](=O)[O-])c(N(C)S(=O)(=O)CCN)nc1Cl ZINC001156236051 770759366 /nfs/dbraw/zinc/75/93/66/770759366.db2.gz CHOORVRTKZKEKX-UHFFFAOYSA-N 0 3 308.747 0.676 20 5 DCBDHN CN(c1nccc2ccc([N+](=O)[O-])cc21)S(=O)(=O)CCN ZINC001156239233 770761250 /nfs/dbraw/zinc/76/12/50/770761250.db2.gz SWUWBWRKINDPCA-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN C[NH+](C)CCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110325288 771595809 /nfs/dbraw/zinc/59/58/09/771595809.db2.gz DTFRSMNEGRFXFM-UHFFFAOYSA-N 0 3 323.353 0.708 20 5 DCBDHN O=C(NCCCNCc1coc(C2CC2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767443 771666131 /nfs/dbraw/zinc/66/61/31/771666131.db2.gz MXJDVPNAXBENAZ-VXGBXAGGSA-N 0 3 308.338 0.813 20 5 DCBDHN COc1ncc([N+](=O)[O-])c(NCCCN2CCN(C)CC2)n1 ZINC001161703877 772269336 /nfs/dbraw/zinc/26/93/36/772269336.db2.gz PPLOWODTAXWGGF-UHFFFAOYSA-N 0 3 310.358 0.443 20 5 DCBDHN COc1ncc([N+](=O)[O-])cc1NCc1nnn2c1CNCCC2 ZINC001162971522 772437570 /nfs/dbraw/zinc/43/75/70/772437570.db2.gz HOIKXUVLDYIBFG-UHFFFAOYSA-N 0 3 319.325 0.695 20 5 DCBDHN CN(c1cc2cccnc2c([N+](=O)[O-])c1)S(=O)(=O)CCN ZINC001164297038 772640692 /nfs/dbraw/zinc/64/06/92/772640692.db2.gz HTUUIKLGWYUIEH-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN CN(c1cc2c(c([N+](=O)[O-])c1)NN(C)C2)S(=O)(=O)CCN ZINC001164300266 772641102 /nfs/dbraw/zinc/64/11/02/772641102.db2.gz LMJMDWNPJXASTJ-UHFFFAOYSA-N 0 3 315.355 0.092 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3NCCO[C@H]3C2)n1 ZINC001165274676 772715036 /nfs/dbraw/zinc/71/50/36/772715036.db2.gz GIZDXSCGGQGVHZ-CABZTGNLSA-N 0 3 322.321 0.344 20 5 DCBDHN Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1CNCCN1 ZINC001218858287 774316803 /nfs/dbraw/zinc/31/68/03/774316803.db2.gz XHQJIECRCYHSNA-MRXNPFEDSA-N 0 3 322.372 0.865 20 5 DCBDHN O=C([C@H]1CN2CCN1CCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319855890 945681680 /nfs/dbraw/zinc/68/16/80/945681680.db2.gz KQKFZAOXMTWSEQ-OAHLLOKOSA-N 0 3 316.361 0.827 20 5 DCBDHN COC(=O)CNC(=O)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254543595 946406245 /nfs/dbraw/zinc/40/62/45/946406245.db2.gz UEAWSDSSNSSWPM-SNVBAGLBSA-N 0 3 309.322 0.405 20 5 DCBDHN CCCN(C)CC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001263220670 947822424 /nfs/dbraw/zinc/82/24/24/947822424.db2.gz NKLRSPIQZOBZCC-UHFFFAOYSA-N 0 3 309.370 0.884 20 5 DCBDHN N[C@@H](CC(F)F)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326038319 948030592 /nfs/dbraw/zinc/03/05/92/948030592.db2.gz OFRBLSKJXDXDDC-VIFPVBQESA-N 0 3 317.296 0.937 20 5 DCBDHN O=C(CCNCC(=O)NC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC001353232162 955984358 /nfs/dbraw/zinc/98/43/58/955984358.db2.gz QAWUMDHBAPHEGS-UHFFFAOYSA-N 0 3 306.322 0.792 20 5 DCBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001463747232 1013162320 /nfs/dbraw/zinc/16/23/20/1013162320.db2.gz MOOYORVJTGGWEV-BDAKNGLRSA-N 0 3 317.371 0.041 20 5 DCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC001450606356 1015244696 /nfs/dbraw/zinc/24/46/96/1015244696.db2.gz BDOBHNKWNJOFGL-LLVKDONJSA-N 0 3 322.365 0.823 20 5 DCBDHN NC(=O)c1ccc(CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001473791911 1016967454 /nfs/dbraw/zinc/96/74/54/1016967454.db2.gz DCBZOQVEZFNNTD-SCDSUCTJSA-N 0 3 305.334 0.896 20 5 DCBDHN CCc1n[nH]c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)c1[N+](=O)[O-] ZINC001455303476 1009643343 /nfs/dbraw/zinc/64/33/43/1009643343.db2.gz DXQYVHOLEZTXOF-VHSXEESVSA-N 0 3 323.353 0.161 20 5 DCBDHN CN1CCN(C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001615837059 1171376714 /nfs/dbraw/zinc/37/67/14/1171376714.db2.gz DENZTYPQHADZRH-UHFFFAOYSA-N 0 3 310.358 0.074 20 5 DCBDHN CN1CC[C@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC000290985371 283153301 /nfs/dbraw/zinc/15/33/01/283153301.db2.gz SHESSCWXNPNHOI-ONGXEEELSA-N 0 3 305.338 0.619 20 5 DCBDHN COC(=O)CNC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180421730 199156438 /nfs/dbraw/zinc/15/64/38/199156438.db2.gz KMESMWMDJKMMJG-SNVBAGLBSA-N 0 3 309.322 0.925 20 5 DCBDHN CN(C)CC1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC000280987611 216005951 /nfs/dbraw/zinc/00/59/51/216005951.db2.gz BZYROKHANCOEDH-UHFFFAOYSA-N 0 3 308.338 0.357 20 5 DCBDHN CC(=O)N1CC[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000566116086 291271102 /nfs/dbraw/zinc/27/11/02/291271102.db2.gz TYNAVGSBBGBYFG-GXTWGEPZSA-N 0 3 323.349 0.545 20 5 DCBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567180237 291341917 /nfs/dbraw/zinc/34/19/17/291341917.db2.gz CZOVDIYMHZQWMI-MDZLAQPJSA-N 0 3 304.350 0.900 20 5 DCBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC000493813484 241161370 /nfs/dbraw/zinc/16/13/70/241161370.db2.gz CSVOELRGGKNHQB-DTRQGZQOSA-N 0 3 309.297 0.852 20 5 DCBDHN CN(CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C1CC1 ZINC000264914399 204264966 /nfs/dbraw/zinc/26/49/66/204264966.db2.gz KEDUNFGIAJXZPQ-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN Cn1ccc(CCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000573599073 291643111 /nfs/dbraw/zinc/64/31/11/291643111.db2.gz SLSLYAFWJUOZEV-CQSZACIVSA-N 0 3 320.349 0.900 20 5 DCBDHN C[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N(C)C ZINC000340778380 253302577 /nfs/dbraw/zinc/30/25/77/253302577.db2.gz JOAXZVJJKUJLDA-MRVPVSSYSA-N 0 3 302.356 0.604 20 5 DCBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346179332 254019864 /nfs/dbraw/zinc/01/98/64/254019864.db2.gz BBOIXLXUNKYSGU-SGMGOOAPSA-N 0 3 321.381 0.980 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCOCCN(C)C ZINC000349745780 254295870 /nfs/dbraw/zinc/29/58/70/254295870.db2.gz OPVNDDPDEKLSHW-UHFFFAOYSA-N 0 3 313.358 0.184 20 5 DCBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000111304066 395806920 /nfs/dbraw/zinc/80/69/20/395806920.db2.gz ZRBQOVBJSUCNAP-QMMMGPOBSA-N 0 3 303.340 0.619 20 5 DCBDHN O=C(CNC1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000238158180 395922646 /nfs/dbraw/zinc/92/26/46/395922646.db2.gz UFHGEBPOIFPLCW-UHFFFAOYSA-N 0 3 304.350 0.995 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](Cn3ccnn3)C2)n1 ZINC000119410760 395870432 /nfs/dbraw/zinc/87/04/32/395870432.db2.gz KFGSGWRVKADKJC-GFCCVEGCSA-N 0 3 305.342 0.795 20 5 DCBDHN Nc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000136146104 395945494 /nfs/dbraw/zinc/94/54/94/395945494.db2.gz UMGCFULIOCELTP-UHFFFAOYSA-N 0 3 322.365 0.754 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000247019278 395964589 /nfs/dbraw/zinc/96/45/89/395964589.db2.gz OYLNKPSOHHEUAC-DGCLKSJQSA-N 0 3 320.353 0.755 20 5 DCBDHN CCN(CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000150918191 395975900 /nfs/dbraw/zinc/97/59/00/395975900.db2.gz HBQJLISSYFNJAQ-UHFFFAOYSA-N 0 3 310.358 0.575 20 5 DCBDHN O=[N+]([O-])c1cnc2ccc(N3CCCN(CCO)CC3)nn21 ZINC000159353718 396068001 /nfs/dbraw/zinc/06/80/01/396068001.db2.gz OUHKKMBRWUNHRK-UHFFFAOYSA-N 0 3 306.326 0.142 20 5 DCBDHN COCCN(C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171200026 396110153 /nfs/dbraw/zinc/11/01/53/396110153.db2.gz JNLHYHQLWVUESG-UHFFFAOYSA-N 0 3 310.354 0.972 20 5 DCBDHN CN(C)CCN(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000176804653 396161482 /nfs/dbraw/zinc/16/14/82/396161482.db2.gz WDGCWXDDOUPNJA-UHFFFAOYSA-N 0 3 308.338 0.345 20 5 DCBDHN Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000177169579 396167872 /nfs/dbraw/zinc/16/78/72/396167872.db2.gz XNPVEWNWEJCHAL-SCZZXKLOSA-N 0 3 307.354 0.992 20 5 DCBDHN CCN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265395297 396313086 /nfs/dbraw/zinc/31/30/86/396313086.db2.gz QFEJZZJOSMKUNH-UHFFFAOYSA-N 0 3 324.337 0.610 20 5 DCBDHN CN1CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1(C)C ZINC000285951352 396364716 /nfs/dbraw/zinc/36/47/16/396364716.db2.gz MWVCWOXEJLVFKW-UHFFFAOYSA-N 0 3 310.358 0.074 20 5 DCBDHN CC(C)C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N(C)C ZINC000269590531 396427122 /nfs/dbraw/zinc/42/71/22/396427122.db2.gz CHFFGKILVGUTCL-GFCCVEGCSA-N 0 3 324.381 0.849 20 5 DCBDHN COCCN(C)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000288065560 396440208 /nfs/dbraw/zinc/44/02/08/396440208.db2.gz VCFPKRBAXQEXHZ-UHFFFAOYSA-N 0 3 312.326 0.767 20 5 DCBDHN O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCCNCC1 ZINC000516027389 396511239 /nfs/dbraw/zinc/51/12/39/396511239.db2.gz JXRSXCZYDKKDPW-UHFFFAOYSA-N 0 3 306.322 0.033 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000269914520 396454656 /nfs/dbraw/zinc/45/46/56/396454656.db2.gz QBEZIJMEHPOERM-OAHLLOKOSA-N 0 3 324.381 0.749 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2c(c1)CNCCO2 ZINC000291010803 396477450 /nfs/dbraw/zinc/47/74/50/396477450.db2.gz DAMYPOQJUUDCPO-UHFFFAOYSA-N 0 3 317.305 0.912 20 5 DCBDHN CN(CCC[NH3+])Cc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594653020 396494376 /nfs/dbraw/zinc/49/43/76/396494376.db2.gz QWTCRPJVMZXIED-UHFFFAOYSA-N 0 3 306.326 0.662 20 5 DCBDHN C[C@@H](CCO)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581011813 396518784 /nfs/dbraw/zinc/51/87/84/396518784.db2.gz KDSCEBSJUUKQRK-NSHDSACASA-N 0 3 316.379 0.977 20 5 DCBDHN O=C1C[C@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1 ZINC000595286684 396580311 /nfs/dbraw/zinc/58/03/11/396580311.db2.gz JLVOFTJTPQNACN-NSHDSACASA-N 0 3 305.338 0.248 20 5 DCBDHN COc1cccc([N+](=O)[O-])c1N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000596014013 396707834 /nfs/dbraw/zinc/70/78/34/396707834.db2.gz KKCXYWBQFAVCGJ-NXEZZACHSA-N 0 3 306.322 0.352 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000563431925 396733549 /nfs/dbraw/zinc/73/35/49/396733549.db2.gz OGNZRPBHPWMMBU-MWLCHTKSSA-N 0 3 306.322 0.352 20 5 DCBDHN CC(C)CO[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305044628 396734755 /nfs/dbraw/zinc/73/47/55/396734755.db2.gz KVSBWWRZHJFHEV-KBPBESRZSA-N 0 3 312.370 0.899 20 5 DCBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000564227831 396818352 /nfs/dbraw/zinc/81/83/52/396818352.db2.gz ROLSMLLLOLKTBE-WDEREUQCSA-N 0 3 305.338 0.355 20 5 DCBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CN2CCN1CCC2 ZINC000611217868 396836984 /nfs/dbraw/zinc/83/69/84/396836984.db2.gz QJUGYINDVMRDKB-HNNXBMFYSA-N 0 3 318.377 0.643 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1NCCc2ccccc21 ZINC000375999544 396859229 /nfs/dbraw/zinc/85/92/29/396859229.db2.gz YZOVAGJTJFGFAL-AWEZNQCLSA-N 0 3 315.333 0.795 20 5 DCBDHN COCCNCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591278270 396893785 /nfs/dbraw/zinc/89/37/85/396893785.db2.gz XIABJSRNJGFTHG-UHFFFAOYSA-N 0 3 311.338 0.692 20 5 DCBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1COCCN1)OCCO2 ZINC000600678489 396915931 /nfs/dbraw/zinc/91/59/31/396915931.db2.gz QUFFLJRQGYAQJE-NSHDSACASA-N 0 3 309.322 0.444 20 5 DCBDHN C[C@H]1OCC[C@@]1(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000618970401 397049465 /nfs/dbraw/zinc/04/94/65/397049465.db2.gz BWENMFVJKINQPU-MEBBXXQBSA-N 0 3 324.333 0.996 20 5 DCBDHN CN1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000592477460 397187564 /nfs/dbraw/zinc/18/75/64/397187564.db2.gz XCANXNLDZXRIHA-GFCCVEGCSA-N 0 3 324.406 0.788 20 5 DCBDHN COC(=O)[C@@H]1CNCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000592489757 397189835 /nfs/dbraw/zinc/18/98/35/397189835.db2.gz VACIRWJGVLJXFV-ZDUSSCGKSA-N 0 3 323.349 0.811 20 5 DCBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)Cn3cccn3)CC2)n1 ZINC000365824693 397321558 /nfs/dbraw/zinc/32/15/58/397321558.db2.gz ZJVHMLUFCHSIMK-CYBMUJFWSA-N 0 3 320.353 0.686 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593548643 397389562 /nfs/dbraw/zinc/38/95/62/397389562.db2.gz QAECXLAOUYHUAB-CQSZACIVSA-N 0 3 313.329 0.705 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000579375657 397562477 /nfs/dbraw/zinc/56/24/77/397562477.db2.gz QBTYSLDFNYYNQY-JQWIXIFHSA-N 0 3 318.333 0.287 20 5 DCBDHN COc1ccc(S(=O)(=O)N2CCCNCC2)c([N+](=O)[O-])c1 ZINC000021504745 286348228 /nfs/dbraw/zinc/34/82/28/286348228.db2.gz NOIJUXCAINXGMX-UHFFFAOYSA-N 0 3 315.351 0.587 20 5 DCBDHN Nc1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000321806249 159011677 /nfs/dbraw/zinc/01/16/77/159011677.db2.gz YHWIKHHBYHWKDM-GHMZBOCLSA-N 0 3 320.349 0.770 20 5 DCBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330524286 159185912 /nfs/dbraw/zinc/18/59/12/159185912.db2.gz JUNBCZNWISJXFP-LBPRGKRZSA-N 0 3 322.365 0.557 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](n3cccn3)C2)c1 ZINC000362888530 159273150 /nfs/dbraw/zinc/27/31/50/159273150.db2.gz JVCOKFANGXNWEL-TZMCWYRMSA-N 0 3 320.353 0.686 20 5 DCBDHN NC(=O)C[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000367308139 159330774 /nfs/dbraw/zinc/33/07/74/159330774.db2.gz NIGKXEAYXUPCPF-DGCLKSJQSA-N 0 3 323.349 0.532 20 5 DCBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000367578966 159345645 /nfs/dbraw/zinc/34/56/45/159345645.db2.gz XKYMFNTXRYSEDF-OLZOCXBDSA-N 0 3 309.370 0.586 20 5 DCBDHN Nc1c(C(=O)NC[C@@H]2C[C@H](F)CN2)cc(F)cc1[N+](=O)[O-] ZINC000368385549 159391371 /nfs/dbraw/zinc/39/13/71/159391371.db2.gz OWLMVFPDDGDLFI-YUMQZZPRSA-N 0 3 300.265 0.746 20 5 DCBDHN COCCCN1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000343325648 415558739 /nfs/dbraw/zinc/55/87/39/415558739.db2.gz YQHFEXNPPKADDG-UHFFFAOYSA-N 0 3 311.342 0.549 20 5 DCBDHN COC[C@@H](CO)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353619455 415605535 /nfs/dbraw/zinc/60/55/35/415605535.db2.gz ICRPHRFZCGCITJ-CMPLNLGQSA-N 0 3 311.338 0.909 20 5 DCBDHN Cc1cnn([C@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000289867856 415729014 /nfs/dbraw/zinc/72/90/14/415729014.db2.gz LRASWZFDSZTCTD-JSGCOSHPSA-N 0 3 320.353 0.604 20 5 DCBDHN O=C1NCCN1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000343738617 415706663 /nfs/dbraw/zinc/70/66/63/415706663.db2.gz BPCVVCPMQOWCOT-UHFFFAOYSA-N 0 3 308.342 0.453 20 5 DCBDHN CO[C@@H]1C[C@@H](CN(C)c2cccc(C(N)=O)c2[N+](=O)[O-])N(C)C1 ZINC000343876923 415763817 /nfs/dbraw/zinc/76/38/17/415763817.db2.gz WGNZMXOIPLWWSM-WDEREUQCSA-N 0 3 322.365 0.849 20 5 DCBDHN COC[C@@](C)(CC(=O)OC)NCCn1ccc([N+](=O)[O-])n1 ZINC000123504751 415843777 /nfs/dbraw/zinc/84/37/77/415843777.db2.gz OTIOACLXGMSUFT-GFCCVEGCSA-N 0 3 300.315 0.349 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000153388699 415980601 /nfs/dbraw/zinc/98/06/01/415980601.db2.gz DSEUXLQLWCUYEY-CYBMUJFWSA-N 0 3 314.317 0.359 20 5 DCBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C ZINC000298261556 415998190 /nfs/dbraw/zinc/99/81/90/415998190.db2.gz VSXKWYSIMVWZAK-UHFFFAOYSA-N 0 3 308.338 0.828 20 5 DCBDHN COC(=O)c1cnc(N2C[C@H]3CN(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000302864774 416102130 /nfs/dbraw/zinc/10/21/30/416102130.db2.gz TXWKQCKRUYOXDO-PHIMTYICSA-N 0 3 306.322 0.774 20 5 DCBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCCC1 ZINC000176004375 416119355 /nfs/dbraw/zinc/11/93/55/416119355.db2.gz XDZVWJQKGYNICU-UHFFFAOYSA-N 0 3 320.349 0.537 20 5 DCBDHN COc1cc(C(=O)NCCOCCN(C)C)ccc1[N+](=O)[O-] ZINC000345964514 416176659 /nfs/dbraw/zinc/17/66/59/416176659.db2.gz RRHWNIKLRLCBCM-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN Cc1c(CNC(=O)C(=O)N[C@H](CN)C2CC2)cccc1[N+](=O)[O-] ZINC000419758216 416409029 /nfs/dbraw/zinc/40/90/29/416409029.db2.gz JLZLUFYGLSOVMD-GFCCVEGCSA-N 0 3 320.349 0.373 20 5 DCBDHN Cn1ncc2c1CCC[C@@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583435428 416462688 /nfs/dbraw/zinc/46/26/88/416462688.db2.gz CFSHCKPZZYVHGG-AAEUAGOBSA-N 0 3 320.353 0.553 20 5 DCBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCNCCOC ZINC000423509183 416519392 /nfs/dbraw/zinc/51/93/92/416519392.db2.gz IVVKOEGDYPJRAN-UHFFFAOYSA-N 0 3 311.338 0.959 20 5 DCBDHN CN1C[C@@H]2CCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000425061285 416681501 /nfs/dbraw/zinc/68/15/01/416681501.db2.gz YOZHGJNNVUDGBO-WCQYABFASA-N 0 3 307.354 0.734 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000568902237 417193429 /nfs/dbraw/zinc/19/34/29/417193429.db2.gz ZSDAAKROGVQBPI-DGCLKSJQSA-N 0 3 308.313 0.478 20 5 DCBDHN CNc1c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000569020416 417206403 /nfs/dbraw/zinc/20/64/03/417206403.db2.gz YIEOWBRTIZWLLL-RYUDHWBXSA-N 0 3 308.338 0.383 20 5 DCBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCCNCC1 ZINC000415324891 417365907 /nfs/dbraw/zinc/36/59/07/417365907.db2.gz VJUOFCBOOUBVNF-UHFFFAOYSA-N 0 3 310.285 0.494 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000576220123 417589916 /nfs/dbraw/zinc/58/99/16/417589916.db2.gz DGLFLEGXYKUWPW-RYUDHWBXSA-N 0 3 306.326 0.543 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N1CCCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000418790783 262290033 /nfs/dbraw/zinc/29/00/33/262290033.db2.gz YDGFSYWSJAOQST-LLVKDONJSA-N 0 3 320.349 0.594 20 5 DCBDHN NC[C@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418919420 262298259 /nfs/dbraw/zinc/29/82/59/262298259.db2.gz FRLNTPDJPARLBT-ZDUSSCGKSA-N 0 3 320.349 0.107 20 5 DCBDHN CNc1c(C(=O)NC[C@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000360926645 271165565 /nfs/dbraw/zinc/16/55/65/271165565.db2.gz WYPMHYVHMWPAHS-CQSZACIVSA-N 0 3 308.338 0.433 20 5 DCBDHN CN(C)C/C=C\C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000492363891 272126501 /nfs/dbraw/zinc/12/65/01/272126501.db2.gz LIXVMLKWOCQJBT-SUVXUSRCSA-N 0 3 323.349 0.223 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1O ZINC000552157318 288267101 /nfs/dbraw/zinc/26/71/01/288267101.db2.gz LKGQRXSFAOOTIW-STQMWFEESA-N 0 3 318.333 0.823 20 5 DCBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CN2CCC1CC2 ZINC000552208105 288268973 /nfs/dbraw/zinc/26/89/73/288268973.db2.gz DJNOSUCFUBBZKT-MRXNPFEDSA-N 0 3 319.361 0.710 20 5 DCBDHN O=C(CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000559292618 288471607 /nfs/dbraw/zinc/47/16/07/288471607.db2.gz GQYBRJHANSHTMS-ZDUSSCGKSA-N 0 3 323.349 0.547 20 5 DCBDHN COc1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000565434356 288852506 /nfs/dbraw/zinc/85/25/06/288852506.db2.gz ZGAJTJYXMINRJZ-GHMZBOCLSA-N 0 3 306.322 0.352 20 5 DCBDHN Cc1ccc([C@H](C)NC(=O)C(=O)NC2CNC2)cc1[N+](=O)[O-] ZINC000582171493 335705845 /nfs/dbraw/zinc/70/58/45/335705845.db2.gz GTEGWZLNXZSFOG-VIFPVBQESA-N 0 3 306.322 0.168 20 5 DCBDHN N[C@H]1C[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000583154825 337247438 /nfs/dbraw/zinc/24/74/38/337247438.db2.gz IIPXXDNJZNXGPC-UWVGGRQHSA-N 0 3 310.741 0.996 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CO)CC(F)F ZINC000575181018 341783809 /nfs/dbraw/zinc/78/38/09/341783809.db2.gz MAGUTVKYCYFWFY-VHSXEESVSA-N 0 3 320.292 0.940 20 5 DCBDHN CC(C)N(CCN(C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000159777459 519645609 /nfs/dbraw/zinc/64/56/09/519645609.db2.gz QJQRWUFJYLJZLN-UHFFFAOYSA-N 0 3 312.374 0.773 20 5 DCBDHN CCN1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000160015026 521608043 /nfs/dbraw/zinc/60/80/43/521608043.db2.gz OZHGDZOASANLKB-UHFFFAOYSA-N 0 3 310.358 0.529 20 5 DCBDHN CN1CCC(O)(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000267077937 523780132 /nfs/dbraw/zinc/78/01/32/523780132.db2.gz IVQQZOCFODRGLH-UHFFFAOYSA-N 0 3 308.338 0.364 20 5 DCBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000157303556 523974492 /nfs/dbraw/zinc/97/44/92/523974492.db2.gz CGIIPCOTCIJTRW-VXGBXAGGSA-N 0 3 307.354 0.734 20 5 DCBDHN O=C([C@H]1C[C@H](F)CN1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000188733311 526565000 /nfs/dbraw/zinc/56/50/00/526565000.db2.gz KYSZGKSHFZEMOP-SMDDNHRTSA-N 0 3 322.340 0.943 20 5 DCBDHN COC(=O)CNC(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285176908 536474338 /nfs/dbraw/zinc/47/43/38/536474338.db2.gz BLTNTIABQMWQSS-UHFFFAOYSA-N 0 3 323.349 0.748 20 5 DCBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000738368054 598499651 /nfs/dbraw/zinc/49/96/51/598499651.db2.gz CMXVQGGCOYVANC-QMMMGPOBSA-N 0 3 316.325 0.819 20 5 DCBDHN O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000738368054 598499652 /nfs/dbraw/zinc/49/96/52/598499652.db2.gz CMXVQGGCOYVANC-QMMMGPOBSA-N 0 3 316.325 0.819 20 5 DCBDHN CCc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000983649589 661997019 /nfs/dbraw/zinc/99/70/19/661997019.db2.gz OWVCMSSXJFYZNQ-FPQZTECRSA-N 0 3 322.365 0.887 20 5 DCBDHN CN(Cc1ncccn1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430591 662441617 /nfs/dbraw/zinc/44/16/17/662441617.db2.gz FXXBUABFDUOKPH-CHWSQXEVSA-N 0 3 319.365 0.565 20 5 DCBDHN C[C@H](NC[C@]1(CO)COCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000903285486 663451055 /nfs/dbraw/zinc/45/10/55/663451055.db2.gz KYXYGOGONGZPLX-WFASDCNBSA-N 0 3 309.366 0.939 20 5 DCBDHN Cc1nsc(C)c1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662185 665273592 /nfs/dbraw/zinc/27/35/92/665273592.db2.gz WIQOCASPWRMMTD-DGCLKSJQSA-N 0 3 324.406 0.973 20 5 DCBDHN Cc1oncc1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002789959 666220181 /nfs/dbraw/zinc/22/01/81/666220181.db2.gz YVAYUPCJTTZILB-CHWSQXEVSA-N 0 3 308.338 0.729 20 5 DCBDHN O=C(N[C@H]1CC[C@H](NCc2ncccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034642818 667088636 /nfs/dbraw/zinc/08/86/36/667088636.db2.gz GCSMKDWDJWZFSM-FDYHWXHSSA-N 0 3 319.365 0.659 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000871987652 667863375 /nfs/dbraw/zinc/86/33/75/667863375.db2.gz UIVVCCAKXJPLHS-CQSZACIVSA-N 0 3 303.322 0.823 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747232260 667898014 /nfs/dbraw/zinc/89/80/14/667898014.db2.gz VLICREXRJNZNHZ-ZYHUDNBSSA-N 0 3 308.338 0.526 20 5 DCBDHN CN(C)C[C@H]1NC(=O)N(CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000924624583 668222639 /nfs/dbraw/zinc/22/26/39/668222639.db2.gz MANAOSVPHHYXBT-GFCCVEGCSA-N 0 3 306.322 0.619 20 5 DCBDHN CN1CCC(NC(=S)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000768479359 668611202 /nfs/dbraw/zinc/61/12/02/668611202.db2.gz LIKYINQLLLIZPY-UHFFFAOYSA-N 0 3 312.399 0.350 20 5 DCBDHN Nc1nccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000847406550 670549256 /nfs/dbraw/zinc/54/92/56/670549256.db2.gz DBBZXTZVXQRVLL-ZJUUUORDSA-N 0 3 321.337 0.165 20 5 DCBDHN CC(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N+](=O)[O-] ZINC000813108075 670611982 /nfs/dbraw/zinc/61/19/82/670611982.db2.gz UWFQHUSYHNMJIW-MXWKQRLJSA-N 0 3 312.322 0.760 20 5 DCBDHN CC(COC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)[N+](=O)[O-] ZINC000851037468 670963069 /nfs/dbraw/zinc/96/30/69/670963069.db2.gz YONNYOHOXXJAIC-RTHLEPHNSA-N 0 3 321.289 0.563 20 5 DCBDHN COCCN1CCC[C@H]1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000861033872 671261258 /nfs/dbraw/zinc/26/12/58/671261258.db2.gz WPXUIJGGXSHRSD-NSHDSACASA-N 0 3 312.326 0.445 20 5 DCBDHN CC(C)(CCC(=O)NC[C@H]1CCCCN1CCO)[N+](=O)[O-] ZINC000833551417 671747937 /nfs/dbraw/zinc/74/79/37/671747937.db2.gz BNNZRBIAOGKJOA-GFCCVEGCSA-N 0 3 301.387 0.785 20 5 DCBDHN CCN(C(=O)c1cc(C)[nH]n1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000967812445 690086025 /nfs/dbraw/zinc/08/60/25/690086025.db2.gz ISZMXJTXEGRQOZ-ZYHUDNBSSA-N 0 3 321.337 0.056 20 5 DCBDHN CC(C)(C(=O)NC[C@@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001575092459 1163889492 /nfs/dbraw/zinc/88/94/92/1163889492.db2.gz NFXHFFNPNGNCHW-NSHDSACASA-N 0 3 307.350 0.977 20 5 DCBDHN C[NH+](C)C1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001578968810 1165172432 /nfs/dbraw/zinc/17/24/32/1165172432.db2.gz NOICSVFNKBBDOX-UHFFFAOYSA-N 0 3 318.341 0.700 20 5 DCBDHN C[NH+](C)C1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001578968810 1165172440 /nfs/dbraw/zinc/17/24/40/1165172440.db2.gz NOICSVFNKBBDOX-UHFFFAOYSA-N 0 3 318.341 0.700 20 5 DCBDHN CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[NH2+]1 ZINC001590109219 1166777781 /nfs/dbraw/zinc/77/77/81/1166777781.db2.gz QCKWKWVBVMMEAA-UHFFFAOYSA-N 0 3 304.314 0.358 20 5 DCBDHN CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[NH2+]1 ZINC001590109219 1166777784 /nfs/dbraw/zinc/77/77/84/1166777784.db2.gz QCKWKWVBVMMEAA-UHFFFAOYSA-N 0 3 304.314 0.358 20 5 DCBDHN [NH3+]C1(CO)CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001592741156 1167625984 /nfs/dbraw/zinc/62/59/84/1167625984.db2.gz PNVUEOQHSZAKFV-UHFFFAOYSA-N 0 3 319.325 0.065 20 5 DCBDHN [NH3+]C1(CO)CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001592741156 1167625987 /nfs/dbraw/zinc/62/59/87/1167625987.db2.gz PNVUEOQHSZAKFV-UHFFFAOYSA-N 0 3 319.325 0.065 20 5 DCBDHN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](C)CO ZINC001609114717 1170813085 /nfs/dbraw/zinc/81/30/85/1170813085.db2.gz SUIQKMQHBLLZQZ-RKDXNWHRSA-N 0 3 306.326 0.881 20 5 DCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCN(CC)CC2)n1 ZINC001616218152 1171376652 /nfs/dbraw/zinc/37/66/52/1171376652.db2.gz HPWMPIQXGOPHBJ-UHFFFAOYSA-N 0 3 324.385 0.179 20 5 DCBDHN CNC(=O)C1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001620587061 1171403977 /nfs/dbraw/zinc/40/39/77/1171403977.db2.gz QWYZMNSZKCCTSV-CYBMUJFWSA-N 0 3 323.349 0.513 20 5 DCBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC(N[C@@H]2CCOC2)C1 ZINC001635935928 1171717652 /nfs/dbraw/zinc/71/76/52/1171717652.db2.gz QMRJXTKVGMUROM-SECBINFHSA-N 0 3 309.297 0.937 20 5 DCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001640128889 1171866810 /nfs/dbraw/zinc/86/68/10/1171866810.db2.gz YDCRZRDPQGPVCQ-GHMZBOCLSA-N 0 3 323.353 0.298 20 5 DCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001640128889 1171866821 /nfs/dbraw/zinc/86/68/21/1171866821.db2.gz YDCRZRDPQGPVCQ-GHMZBOCLSA-N 0 3 323.353 0.298 20 5 DCBDHN COC[C@@]1(CO)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001643116751 1171966376 /nfs/dbraw/zinc/96/63/76/1171966376.db2.gz CJIDQPORJCNLBI-CABCVRRESA-N 0 3 310.350 0.959 20 5 DCBDHN CNc1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001647773288 1173055201 /nfs/dbraw/zinc/05/52/01/1173055201.db2.gz RAMCOBQRMGGTQM-NSHDSACASA-N 0 3 320.349 0.839 20 5 DCBDHN CC(C)c1n[nH]c(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001647773121 1173055718 /nfs/dbraw/zinc/05/57/18/1173055718.db2.gz NZGHOZSEZCCGKD-SECBINFHSA-N 0 3 323.353 0.644 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC(N[C@H]3CCOC3)C2)c1 ZINC001647773069 1173055766 /nfs/dbraw/zinc/05/57/66/1173055766.db2.gz MLEWSPBZSZRJQG-JTQLQIEISA-N 0 3 321.333 0.806 20 5 DCBDHN Cn1ncc2cc(CNCCn3cc([N+](=O)[O-])cn3)cnc21 ZINC001650717509 1173730775 /nfs/dbraw/zinc/73/07/75/1173730775.db2.gz NFGBEIFPNIVAIW-UHFFFAOYSA-N 0 3 301.310 0.863 20 5 DCBDHN CCN(CCNCc1cc(OC)no1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001668426357 1174795158 /nfs/dbraw/zinc/79/51/58/1174795158.db2.gz HMIYPUDHYQCNFX-GHMZBOCLSA-N 0 3 312.326 0.287 20 5 DCBDHN Cc1ncc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)o1 ZINC001717149989 1182696985 /nfs/dbraw/zinc/69/69/85/1182696985.db2.gz JZFZOCYSPYDJCS-VXGBXAGGSA-N 0 3 308.338 0.777 20 5 DCBDHN C[NH+](C)CCC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107490156 752082055 /nfs/dbraw/zinc/08/20/55/752082055.db2.gz UELAOHVRUAOTNJ-ONEGZZNKSA-N 0 3 323.353 0.731 20 5 DCBDHN NCc1nn(-c2ccc([N+](=O)[O-])c(C(N)=O)n2)c2ccccc12 ZINC001167695966 747751370 /nfs/dbraw/zinc/75/13/70/747751370.db2.gz SJFBLSOCHFLFIJ-UHFFFAOYSA-N 0 3 312.289 0.886 20 5 DCBDHN Cn1oc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cc1=O ZINC001126292513 748386648 /nfs/dbraw/zinc/38/66/48/748386648.db2.gz UQUQWGNLMCNSOG-UHFFFAOYSA-N 0 3 320.305 0.406 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])cc(NC(=N)N2CCN(C)CC2)n1 ZINC001168735472 753969918 /nfs/dbraw/zinc/96/99/18/753969918.db2.gz QQHVISGFHKKXQW-UHFFFAOYSA-N 0 3 322.325 0.370 20 5 DCBDHN COC[C@]1(CO)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001170352482 762613667 /nfs/dbraw/zinc/61/36/67/762613667.db2.gz WEGQVGZRYQWZCO-CQSZACIVSA-N 0 3 311.338 0.087 20 5 DCBDHN CCCC(=O)NCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124305398 768212002 /nfs/dbraw/zinc/21/20/02/768212002.db2.gz LMPSOLRTVZKUIF-UHFFFAOYSA-N 0 3 322.365 0.717 20 5 DCBDHN CC(C)[C@H](N)C(=O)NCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118203361 766254932 /nfs/dbraw/zinc/25/49/32/766254932.db2.gz HRXWZZKEWKNQQV-AWEZNQCLSA-N 0 3 320.349 0.537 20 5 DCBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC001138061490 766416974 /nfs/dbraw/zinc/41/69/74/766416974.db2.gz QWENQTYOPNXZFE-CQSZACIVSA-N 0 3 311.313 0.839 20 5 DCBDHN Cc1cc(Cl)c([N+](=O)[O-])c([N-][C@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155571417 770548444 /nfs/dbraw/zinc/54/84/44/770548444.db2.gz SPPRAXZYRAMCNZ-QPUJVOFHSA-N 0 3 311.729 0.942 20 5 DCBDHN COc1c(F)cc(N(C)S(=O)(=O)CCN)cc1[N+](=O)[O-] ZINC001164297232 772640642 /nfs/dbraw/zinc/64/06/42/772640642.db2.gz YZPXFVSKAKJLGI-UHFFFAOYSA-N 0 3 307.303 0.467 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1[n-]cc([N+](=O)[O-])c2ncnc1-2 ZINC001227693240 775998190 /nfs/dbraw/zinc/99/81/90/775998190.db2.gz PUSMGDYPKQRGFC-MRVPVSSYSA-N 0 3 324.317 0.229 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc([N+](=O)[O-])c2[n-]cnc21 ZINC001227693240 775998199 /nfs/dbraw/zinc/99/81/99/775998199.db2.gz PUSMGDYPKQRGFC-MRVPVSSYSA-N 0 3 324.317 0.229 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693240 775998212 /nfs/dbraw/zinc/99/82/12/775998212.db2.gz PUSMGDYPKQRGFC-MRVPVSSYSA-N 0 3 324.317 0.229 20 5 DCBDHN Cc1nccnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001277055390 944643699 /nfs/dbraw/zinc/64/36/99/944643699.db2.gz PACMJAVJYXCLFX-ZYHUDNBSSA-N 0 3 305.338 0.189 20 5 DCBDHN O=C(NC1(CNCc2ncccn2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001318632265 945417504 /nfs/dbraw/zinc/41/75/04/945417504.db2.gz LEZWQHJPBDYNQD-VXGBXAGGSA-N 0 3 319.365 0.660 20 5 DCBDHN COC(=O)[C@@H]1CNCCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246857627 945508161 /nfs/dbraw/zinc/50/81/61/945508161.db2.gz RIAQEJBSIGOONR-KBPBESRZSA-N 0 3 305.334 0.509 20 5 DCBDHN CC(C)(C)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001319180872 945512760 /nfs/dbraw/zinc/51/27/60/945512760.db2.gz CKJQSGNXDADOMT-CYBMUJFWSA-N 0 3 311.386 0.568 20 5 DCBDHN CC(C)n1ccc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001321056333 946146145 /nfs/dbraw/zinc/14/61/45/946146145.db2.gz DZLQKMCQEHHMPD-JHZNUDOXSA-N 0 3 321.381 0.891 20 5 DCBDHN O=C(NCC1(NCc2ccc(F)cn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001323438115 947081967 /nfs/dbraw/zinc/08/19/67/947081967.db2.gz VFIAWXPQEIEWBO-VXGBXAGGSA-N 0 3 308.313 0.624 20 5 DCBDHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(C[N+](=O)[O-])n1C ZINC001339539999 953101543 /nfs/dbraw/zinc/10/15/43/953101543.db2.gz AJWCZTWAIGWCNV-NSHDSACASA-N 0 3 324.385 0.281 20 5 DCBDHN CC(COC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[N+](=O)[O-] ZINC001344808873 953536395 /nfs/dbraw/zinc/53/63/95/953536395.db2.gz VKRAVWMHTVPJNH-TUAOUCFPSA-N 0 3 302.327 0.075 20 5 DCBDHN O=c1c(Br)cn(C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001350007017 954962446 /nfs/dbraw/zinc/96/24/46/954962446.db2.gz RVWJVDMDIOQMBT-SSDOTTSWSA-N 0 3 318.127 0.507 20 5 DCBDHN CNc1c(C(=O)N[C@@H](CO)CN2CCCC2)cccc1[N+](=O)[O-] ZINC001298752558 958702969 /nfs/dbraw/zinc/70/29/69/958702969.db2.gz VBPDBWUMWNGGLZ-LLVKDONJSA-N 0 3 322.365 0.823 20 5 DCBDHN CN1C(=O)[C@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1=O ZINC001473725367 1016958845 /nfs/dbraw/zinc/95/88/45/1016958845.db2.gz OAEFSKUFUYXYSZ-FRRDWIJNSA-N 0 3 319.317 0.175 20 5 DCBDHN CN1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001456161334 1010107340 /nfs/dbraw/zinc/10/73/40/1010107340.db2.gz XIGOGQKCKPMXBU-LLVKDONJSA-N 0 3 309.370 0.983 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3ncccn3)C2)c1 ZINC001460853396 1012981408 /nfs/dbraw/zinc/98/14/08/1012981408.db2.gz BXIFZVKUQZQIIY-AAEUAGOBSA-N 0 3 318.337 0.432 20 5 DCBDHN CC[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174368556 198325511 /nfs/dbraw/zinc/32/55/11/198325511.db2.gz BQLXNCPMAFANHN-RYUDHWBXSA-N 0 3 300.384 0.980 20 5 DCBDHN CN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000162285300 291243107 /nfs/dbraw/zinc/24/31/07/291243107.db2.gz AXJNJIADYNVBCP-AWEZNQCLSA-N 0 3 306.366 0.629 20 5 DCBDHN CC(C)(C)CCN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000064308890 184293870 /nfs/dbraw/zinc/29/38/70/184293870.db2.gz MLKVWEKOYGJAAY-UHFFFAOYSA-N 0 3 324.385 0.767 20 5 DCBDHN COCCN(C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000339298216 253055660 /nfs/dbraw/zinc/05/56/60/253055660.db2.gz NMLWKIMEDKVINL-UHFFFAOYSA-N 0 3 313.358 0.221 20 5 DCBDHN C[C@H](CN(C)C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000346254905 254028461 /nfs/dbraw/zinc/02/84/61/254028461.db2.gz HIDLMWGQDNJDDR-SNVBAGLBSA-N 0 3 318.337 0.855 20 5 DCBDHN COC(=O)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000346695069 254083329 /nfs/dbraw/zinc/08/33/29/254083329.db2.gz YCVXWFFGKMNFEE-ADEWGFFLSA-N 0 3 312.326 0.036 20 5 DCBDHN CN(C)C1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000275527768 130329575 /nfs/dbraw/zinc/32/95/75/130329575.db2.gz WMVMZIJAUTZFMT-UHFFFAOYSA-N 0 3 310.358 0.575 20 5 DCBDHN C[C@@H](NCCNC(=O)c1ccn[nH]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285112602 131139236 /nfs/dbraw/zinc/13/92/36/131139236.db2.gz KVTKOWUTIALTMP-SECBINFHSA-N 0 3 318.337 0.981 20 5 DCBDHN CCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000030014201 395701546 /nfs/dbraw/zinc/70/15/46/395701546.db2.gz FMVGXSSXCDONLM-UHFFFAOYSA-N 0 3 308.338 0.357 20 5 DCBDHN Cc1nn(C)c(C(=O)N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000108299996 395788029 /nfs/dbraw/zinc/78/80/29/395788029.db2.gz GSGAIKWVMVVCTL-NSHDSACASA-N 0 3 307.354 0.851 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC1CCN(C)CC1 ZINC000103450995 395773185 /nfs/dbraw/zinc/77/31/85/395773185.db2.gz BLIXRJZSQRPTCE-UHFFFAOYSA-N 0 3 309.370 0.900 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093290 395858767 /nfs/dbraw/zinc/85/87/67/395858767.db2.gz XPWNIVCDWKUSON-QMMMGPOBSA-N 0 3 301.324 0.244 20 5 DCBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112918427 395825463 /nfs/dbraw/zinc/82/54/63/395825463.db2.gz MWCJGLMVWOKKKZ-UHFFFAOYSA-N 0 3 306.366 0.962 20 5 DCBDHN COc1ccc(NC(=O)CCN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000114204058 395832810 /nfs/dbraw/zinc/83/28/10/395832810.db2.gz JQCYWHPHPYDLFV-SNVBAGLBSA-N 0 3 309.322 0.999 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](O)C1 ZINC000114470245 395834558 /nfs/dbraw/zinc/83/45/58/395834558.db2.gz FBDGARZAWDZJDU-NSHDSACASA-N 0 3 309.322 0.999 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272503935 395895576 /nfs/dbraw/zinc/89/55/76/395895576.db2.gz OBISSYSFQSMJDC-RYUDHWBXSA-N 0 3 307.354 0.652 20 5 DCBDHN CN1CC[C@@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272537028 395898299 /nfs/dbraw/zinc/89/82/99/395898299.db2.gz BPTIEYOUOFZOMT-DGCLKSJQSA-N 0 3 307.354 0.734 20 5 DCBDHN COCCN(C)CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000063744537 395981272 /nfs/dbraw/zinc/98/12/72/395981272.db2.gz BFCKTMAGYOFODB-UHFFFAOYSA-N 0 3 310.354 0.875 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CO)c2ccccc2)c1 ZINC000170846605 396098672 /nfs/dbraw/zinc/09/86/72/396098672.db2.gz IRSUXFVOQQVUNL-KGLIPLIRSA-N 0 3 306.322 0.475 20 5 DCBDHN COc1ccc(NC(=O)[C@@H](C)N2CCNCC2)c([N+](=O)[O-])c1 ZINC000261898524 396077530 /nfs/dbraw/zinc/07/75/30/396077530.db2.gz WHAHVYCJOLTHTA-SNVBAGLBSA-N 0 3 308.338 0.836 20 5 DCBDHN CN(CCOCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000282246723 396274978 /nfs/dbraw/zinc/27/49/78/396274978.db2.gz BVCHYPMHOCPLPF-GFCCVEGCSA-N 0 3 314.338 0.275 20 5 DCBDHN CN(C)CCN(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000080685392 396284077 /nfs/dbraw/zinc/28/40/77/396284077.db2.gz CPRWUSHFLWGHEG-UHFFFAOYSA-N 0 3 302.356 0.240 20 5 DCBDHN CN(CCCN1CCN(C)CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000264598984 396294422 /nfs/dbraw/zinc/29/44/22/396294422.db2.gz AZJWAMTVEGWNSO-UHFFFAOYSA-N 0 3 309.374 0.041 20 5 DCBDHN NC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000184845304 396308870 /nfs/dbraw/zinc/30/88/70/396308870.db2.gz CSSGFZJNQMBAFM-NWDGAFQWSA-N 0 3 320.349 0.827 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269047695 396382765 /nfs/dbraw/zinc/38/27/65/396382765.db2.gz PFOBWPLDRNJFGF-MFKMUULPSA-N 0 3 322.369 0.573 20 5 DCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC1(O)CCOCC1 ZINC000189776682 396398923 /nfs/dbraw/zinc/39/89/23/396398923.db2.gz OVVBVDOWODLMDF-UHFFFAOYSA-N 0 3 311.338 0.230 20 5 DCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1CC(C)(C)O ZINC000189955033 396400823 /nfs/dbraw/zinc/40/08/23/396400823.db2.gz KYKBIGJJXDURSG-GFCCVEGCSA-N 0 3 311.386 0.568 20 5 DCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](CN(C)C)C2)n1 ZINC000191817485 396425002 /nfs/dbraw/zinc/42/50/02/396425002.db2.gz TVOQVXPSHWKHOW-JTQLQIEISA-N 0 3 311.342 0.214 20 5 DCBDHN C[C@@H](O)[C@@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000581245981 396536716 /nfs/dbraw/zinc/53/67/16/396536716.db2.gz COEFEOPJUDULLG-NXEZZACHSA-N 0 3 317.367 0.232 20 5 DCBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000595104048 396548886 /nfs/dbraw/zinc/54/88/86/396548886.db2.gz DAISHZKFPBOACT-ZJUUUORDSA-N 0 3 314.367 0.656 20 5 DCBDHN O=C1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]2N1 ZINC000595729891 396652967 /nfs/dbraw/zinc/65/29/67/396652967.db2.gz WEXZYUTZODICTK-YPMHNXCESA-N 0 3 320.349 0.357 20 5 DCBDHN O=C(CCN1CCC(O)(CO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595734360 396653797 /nfs/dbraw/zinc/65/37/97/396653797.db2.gz YELRGOJDNKUGMJ-UHFFFAOYSA-N 0 3 323.349 0.743 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3cn[nH]n3)C2)nc1 ZINC000595374503 396597494 /nfs/dbraw/zinc/59/74/94/396597494.db2.gz CXMWXESMOPNESO-NSHDSACASA-N 0 3 303.326 0.837 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3c[nH]nn3)C2)nc1 ZINC000595374503 396597497 /nfs/dbraw/zinc/59/74/97/396597497.db2.gz CXMWXESMOPNESO-NSHDSACASA-N 0 3 303.326 0.837 20 5 DCBDHN Cc1noc(CN(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000595402075 396603692 /nfs/dbraw/zinc/60/36/92/396603692.db2.gz USEXEPCRMCHBTB-UHFFFAOYSA-N 0 3 311.386 0.961 20 5 DCBDHN COCCN(C)C[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000562945910 396687062 /nfs/dbraw/zinc/68/70/62/396687062.db2.gz CYXBVMCZQABLHY-CQSZACIVSA-N 0 3 311.382 0.966 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563438378 396736159 /nfs/dbraw/zinc/73/61/59/396736159.db2.gz CZXPKKSARFZORE-CHWSQXEVSA-N 0 3 320.349 0.347 20 5 DCBDHN NC(=O)c1cc(N[C@@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000596250990 396744048 /nfs/dbraw/zinc/74/40/48/396744048.db2.gz WVIOOICAZFUFRG-GFCCVEGCSA-N 0 3 322.365 0.952 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000590385386 396766667 /nfs/dbraw/zinc/76/66/67/396766667.db2.gz NATBZDCXTXPDRT-RYUDHWBXSA-N 0 3 313.741 0.995 20 5 DCBDHN C[C@@](CO)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000322480697 396819645 /nfs/dbraw/zinc/81/96/45/396819645.db2.gz BQCKSFOBYXGLLO-GJZGRUSLSA-N 0 3 320.349 0.650 20 5 DCBDHN C[C@@H](O)[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000564204770 396815147 /nfs/dbraw/zinc/81/51/47/396815147.db2.gz UKEQROCUYBNKQW-NXEZZACHSA-N 0 3 317.367 0.232 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(CO)CC2)cc1 ZINC000592430424 397175292 /nfs/dbraw/zinc/17/52/92/397175292.db2.gz NBGRFXRAGXWQSD-UHFFFAOYSA-N 0 3 314.363 0.731 20 5 DCBDHN CC(C)[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1 ZINC000598571141 397249416 /nfs/dbraw/zinc/24/94/16/397249416.db2.gz GVUANWGBNVKNSI-LBPRGKRZSA-N 0 3 309.370 0.983 20 5 DCBDHN CC(=O)NC[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602768581 397480045 /nfs/dbraw/zinc/48/00/45/397480045.db2.gz KBKKEHXIGFBDAQ-CYBMUJFWSA-N 0 3 309.370 0.948 20 5 DCBDHN CC(=O)N1CC[C@@H](CN(C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602794146 397487417 /nfs/dbraw/zinc/48/74/17/397487417.db2.gz GMUCXZMRGHTJNM-ZDUSSCGKSA-N 0 3 309.370 0.900 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC)CCN ZINC000599892446 397535748 /nfs/dbraw/zinc/53/57/48/397535748.db2.gz XFDOSIWMEKEZEY-UHFFFAOYSA-N 0 3 324.337 0.739 20 5 DCBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)CN1CCN(C)CC1 ZINC000330534027 159187631 /nfs/dbraw/zinc/18/76/31/159187631.db2.gz INMFKRLBTUCPDS-GFCCVEGCSA-N 0 3 323.397 0.547 20 5 DCBDHN NC(=O)C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000367987632 159369461 /nfs/dbraw/zinc/36/94/61/159369461.db2.gz GLOTVNBQOJOCRQ-NWDGAFQWSA-N 0 3 323.349 0.532 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000268235259 415181984 /nfs/dbraw/zinc/18/19/84/415181984.db2.gz NWOWYESAALVYBY-JOYOIKCWSA-N 0 3 307.354 0.699 20 5 DCBDHN COC[C@](C)(CC(=O)OC)NCCn1cc([N+](=O)[O-])cn1 ZINC000088545914 415517923 /nfs/dbraw/zinc/51/79/23/415517923.db2.gz WODWJZJQXOQZHE-LBPRGKRZSA-N 0 3 300.315 0.349 20 5 DCBDHN Cc1n[nH]c(C(=O)NC2(CCO)CCN(C)CC2)c1[N+](=O)[O-] ZINC000354145078 415769121 /nfs/dbraw/zinc/76/91/21/415769121.db2.gz YIXDFLZHKFURRS-UHFFFAOYSA-N 0 3 311.342 0.203 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC1CCN(C2CC2)CC1 ZINC000132954738 415939121 /nfs/dbraw/zinc/93/91/21/415939121.db2.gz DAUWVIXTBAONDL-UHFFFAOYSA-N 0 3 322.369 0.717 20 5 DCBDHN COCCNCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000174484781 416079183 /nfs/dbraw/zinc/07/91/83/416079183.db2.gz QOYITDZZQSRBCV-UHFFFAOYSA-N 0 3 322.365 0.479 20 5 DCBDHN CN(C)CCn1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000338648790 416121953 /nfs/dbraw/zinc/12/19/53/416121953.db2.gz ZTPXGWCAHXSABH-UHFFFAOYSA-N 0 3 321.341 0.578 20 5 DCBDHN CCc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358059764 416183397 /nfs/dbraw/zinc/18/33/97/416183397.db2.gz DMSGRWGEUKIHGO-OAHLLOKOSA-N 0 3 307.350 0.954 20 5 DCBDHN CN(C)CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182597185 416225812 /nfs/dbraw/zinc/22/58/12/416225812.db2.gz SJSLBBAMCFUHFE-ZDUSSCGKSA-N 0 3 306.322 0.766 20 5 DCBDHN CN(C)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000359516761 416348728 /nfs/dbraw/zinc/34/87/28/416348728.db2.gz MXJPIOODMFUBIA-NEPJUHHUSA-N 0 3 312.301 0.873 20 5 DCBDHN O=[N+]([O-])c1ccc(-c2noc(NC[C@@H]3CNCCO3)n2)cc1 ZINC000420276777 416417970 /nfs/dbraw/zinc/41/79/70/416417970.db2.gz HGMKHSWDAMBVLS-NSHDSACASA-N 0 3 305.294 1.045 20 5 DCBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CCCNCC1 ZINC000418864740 416392323 /nfs/dbraw/zinc/39/23/23/416392323.db2.gz ISEUXJPXOPYTRT-UHFFFAOYSA-N 0 3 320.349 0.075 20 5 DCBDHN CC[C@@H](C)N(C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000439076365 416607402 /nfs/dbraw/zinc/60/74/02/416607402.db2.gz IXCWTRGEFPWFLP-LLVKDONJSA-N 0 3 310.354 0.603 20 5 DCBDHN O=[N+]([O-])c1ccc2ncnc(NCCN3CC[C@@H](O)C3)c2c1 ZINC000599176807 416609766 /nfs/dbraw/zinc/60/97/66/416609766.db2.gz ZGNZTPBOONNGBC-LLVKDONJSA-N 0 3 303.322 1.017 20 5 DCBDHN O=[N+]([O-])c1ccc2ncnc(NCCN3CC[C@H](O)C3)c2c1 ZINC000599200171 416610382 /nfs/dbraw/zinc/61/03/82/416610382.db2.gz ZGNZTPBOONNGBC-NSHDSACASA-N 0 3 303.322 1.017 20 5 DCBDHN CN1C[C@@H]2CCCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000425724111 416724185 /nfs/dbraw/zinc/72/41/85/416724185.db2.gz DUMYAUACKRNPSN-WCQYABFASA-N 0 3 322.369 0.527 20 5 DCBDHN CNS(=O)(=O)CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449272971 417132230 /nfs/dbraw/zinc/13/22/30/417132230.db2.gz XREOQLUVODWHPG-JTQLQIEISA-N 0 3 301.368 0.665 20 5 DCBDHN O=C1CNC(=O)N1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569744158 417289357 /nfs/dbraw/zinc/28/93/57/417289357.db2.gz RSVYLJKBBSSVFM-LLVKDONJSA-N 0 3 304.306 0.724 20 5 DCBDHN CN1CCC(O)(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000354501456 261227854 /nfs/dbraw/zinc/22/78/54/261227854.db2.gz DKMVQWNNBKUEQC-UHFFFAOYSA-N 0 3 308.338 0.364 20 5 DCBDHN NC[C@H]1CCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418923258 262298796 /nfs/dbraw/zinc/29/87/96/262298796.db2.gz MSTQQWLFTYIKHW-CYBMUJFWSA-N 0 3 320.349 0.203 20 5 DCBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000359502839 271123177 /nfs/dbraw/zinc/12/31/77/271123177.db2.gz MFMJBUFZAZQHLE-UHFFFAOYSA-N 0 3 307.314 0.339 20 5 DCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCCNc1ccncc1 ZINC000344684034 303594156 /nfs/dbraw/zinc/59/41/56/303594156.db2.gz IAJHNOJJUOZFMR-UHFFFAOYSA-N 0 3 304.310 0.227 20 5 DCBDHN Cc1cc(C)c(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000397077177 337247584 /nfs/dbraw/zinc/24/75/84/337247584.db2.gz DHEUDWOOXQVYSX-CQSZACIVSA-N 0 3 305.338 0.954 20 5 DCBDHN CN(C)CCN(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000267089476 524059518 /nfs/dbraw/zinc/05/95/18/524059518.db2.gz IBPATYYPMRKHLK-UHFFFAOYSA-N 0 3 322.365 0.735 20 5 DCBDHN CC(C)[C@@H]1CN(C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993133 528744711 /nfs/dbraw/zinc/74/47/11/528744711.db2.gz STZMMYGPGPPWIV-KBPBESRZSA-N 0 3 311.386 0.424 20 5 DCBDHN C[NH+](C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736764359 598722297 /nfs/dbraw/zinc/72/22/97/598722297.db2.gz PSXZMKKIMRBAOG-UHFFFAOYSA-N 0 3 318.341 0.700 20 5 DCBDHN C[NH+](C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736764359 598722298 /nfs/dbraw/zinc/72/22/98/598722298.db2.gz PSXZMKKIMRBAOG-UHFFFAOYSA-N 0 3 318.341 0.700 20 5 DCBDHN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104046 658716297 /nfs/dbraw/zinc/71/62/97/658716297.db2.gz JCNGNYNIBUMLRU-SSDOTTSWSA-N 0 3 320.323 0.660 20 5 DCBDHN Cc1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)oc1C ZINC001022061833 658813018 /nfs/dbraw/zinc/81/30/18/658813018.db2.gz XIAWOCOGCQNBDQ-WRWGMCAJSA-N 0 3 308.338 0.693 20 5 DCBDHN Cc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000983649789 661997112 /nfs/dbraw/zinc/99/71/12/661997112.db2.gz RXHMFZHWXDSDLT-DDHJBXDOSA-N 0 3 308.338 0.633 20 5 DCBDHN CCc1nn(C)c(N2CC[C@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897222327 662405451 /nfs/dbraw/zinc/40/54/51/662405451.db2.gz UFDAVHGFNKLGHE-QWHCGFSZSA-N 0 3 323.397 0.926 20 5 DCBDHN CN(CCO)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000899737599 663184523 /nfs/dbraw/zinc/18/45/23/663184523.db2.gz LOXGQUDVEGVTEM-UHFFFAOYSA-N 0 3 317.292 0.727 20 5 DCBDHN CC(=O)OC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153564972 664886072 /nfs/dbraw/zinc/88/60/72/664886072.db2.gz BVEYRLYEJONWQT-GFCCVEGCSA-N 0 3 312.326 0.180 20 5 DCBDHN O=C1COC[C@@]2(CNCc3cccc([N+](=O)[O-])c3)COCCN12 ZINC000865801241 667349026 /nfs/dbraw/zinc/34/90/26/667349026.db2.gz SLWZYJUFYKNDPR-OAHLLOKOSA-N 0 3 321.333 0.312 20 5 DCBDHN Cn1c(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000889781725 667996373 /nfs/dbraw/zinc/99/63/73/667996373.db2.gz OIKVIZNNUJXIOK-NWDGAFQWSA-N 0 3 322.365 0.605 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000935313921 669706713 /nfs/dbraw/zinc/70/67/13/669706713.db2.gz AVRVZUCBCVSDMO-JTQLQIEISA-N 0 3 307.354 0.866 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000716729931 670272005 /nfs/dbraw/zinc/27/20/05/670272005.db2.gz KLMLDZOVPKPDEN-SECBINFHSA-N 0 3 301.730 0.901 20 5 DCBDHN CNS(=O)(=O)c1ccc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813115394 670613254 /nfs/dbraw/zinc/61/32/54/670613254.db2.gz QVJJNHLZXKZLRN-VIFPVBQESA-N 0 3 316.335 0.725 20 5 DCBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000817118362 670897201 /nfs/dbraw/zinc/89/72/01/670897201.db2.gz TXBHBPFKINABPR-WDEREUQCSA-N 0 3 320.349 0.969 20 5 DCBDHN CCN(CCO)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829551637 671579569 /nfs/dbraw/zinc/57/95/69/671579569.db2.gz MVBMUIRUSJXNLZ-ZDUSSCGKSA-N 0 3 311.338 0.059 20 5 DCBDHN CN(CCO)CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000829749285 671586969 /nfs/dbraw/zinc/58/69/69/671586969.db2.gz HAWMNPXPIOVAIC-UHFFFAOYSA-N 0 3 313.329 0.707 20 5 DCBDHN CN(CCOC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000837451932 671862691 /nfs/dbraw/zinc/86/26/91/671862691.db2.gz PBTWIKRSJVAUPW-UHFFFAOYSA-N 0 3 319.321 0.862 20 5 DCBDHN O=[N+]([O-])c1ccc(Cc2noc(C[C@H]3CNCCO3)n2)nc1 ZINC000843191952 672069354 /nfs/dbraw/zinc/06/93/54/672069354.db2.gz PFIIAAVFGBYTDS-NSHDSACASA-N 0 3 305.294 0.495 20 5 DCBDHN CN(C)CCN1CCN(c2cccc(F)c2[N+](=O)[O-])CC1=O ZINC000845630053 672267919 /nfs/dbraw/zinc/26/79/19/672267919.db2.gz GPPBDAHFSNZJMX-UHFFFAOYSA-N 0 3 310.329 0.944 20 5 DCBDHN Cc1cc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)on1 ZINC001072721307 694657049 /nfs/dbraw/zinc/65/70/49/694657049.db2.gz MGXWJNSOIVHRQP-CHWSQXEVSA-N 0 3 320.349 0.683 20 5 DCBDHN C[C@@]1(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CNCCO1 ZINC001576507730 1164368688 /nfs/dbraw/zinc/36/86/88/1164368688.db2.gz FDKANYBDJFZRMZ-OCCSQVGLSA-N 0 3 309.322 0.123 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC1(CCO)CCN(C)CC1 ZINC001637806545 1171779762 /nfs/dbraw/zinc/77/97/62/1171779762.db2.gz XZFPYQNPOQGYRS-UHFFFAOYSA-N 0 3 310.354 0.510 20 5 DCBDHN COc1ccc(CNCCN2CCNC2=S)cc1[N+](=O)[O-] ZINC001658194602 1173920000 /nfs/dbraw/zinc/92/00/00/1173920000.db2.gz WZUUYGYBPGLFCN-UHFFFAOYSA-N 0 3 310.379 0.883 20 5 DCBDHN C[C@](CO)(NC[C@@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC001659768559 1173934935 /nfs/dbraw/zinc/93/49/35/1173934935.db2.gz HLIDQDGWFQOLTM-HUUCEWRRSA-N 0 3 320.349 0.650 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001662172456 1174184239 /nfs/dbraw/zinc/18/42/39/1174184239.db2.gz HUWZEQLDNJQIAJ-CYBMUJFWSA-N 0 3 312.301 0.922 20 5 DCBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1nc[nH]n1 ZINC001714768945 1181533928 /nfs/dbraw/zinc/53/39/28/1181533928.db2.gz XENYHKAEYQGSKS-UHFFFAOYSA-N 0 3 304.310 0.575 20 5 DCBDHN Cc1nnsc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001716681916 1182494927 /nfs/dbraw/zinc/49/49/27/1182494927.db2.gz YHZURMVYVLJWHF-RKDXNWHRSA-N 0 3 311.367 0.250 20 5 DCBDHN CCc1noc(C)c1CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001754118540 1188748380 /nfs/dbraw/zinc/74/83/80/1188748380.db2.gz AJXACBOFJPGYPE-KSEDQGMOSA-N 0 3 322.365 0.973 20 5 DCBDHN CN1CCNC[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212224452 751358505 /nfs/dbraw/zinc/35/85/05/751358505.db2.gz MORMGUQFFWIQQR-SECBINFHSA-N 0 3 308.273 0.755 20 5 DCBDHN O=C(CCc1nnc[nH]1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125419930 747125914 /nfs/dbraw/zinc/12/59/14/747125914.db2.gz VOPFREOPHSBIFR-UHFFFAOYSA-N 0 3 318.337 0.552 20 5 DCBDHN O=C(NCCNCc1nc2ccccc2o1)[C@@H]1CC1[N+](=O)[O-] ZINC001126942700 750155687 /nfs/dbraw/zinc/15/56/87/750155687.db2.gz FFSAFLCCOJTPGT-MWLCHTKSSA-N 0 3 304.306 0.699 20 5 DCBDHN CN(c1ncnc2ccc([N+](=O)[O-])cc21)S(=O)(=O)CCN ZINC001156236635 760520392 /nfs/dbraw/zinc/52/03/92/760520392.db2.gz OWBFFBDXQHCZQC-UHFFFAOYSA-N 0 3 311.323 0.263 20 5 DCBDHN Cc1nn(C)c(N2CC[C@@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001120071349 766893919 /nfs/dbraw/zinc/89/39/19/766893919.db2.gz SQKVQBIKQDDWGF-NEPJUHHUSA-N 0 3 309.370 0.672 20 5 DCBDHN CN1CCN(C[C@H](O)CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001120467866 767027135 /nfs/dbraw/zinc/02/71/35/767027135.db2.gz NRANBHFONSIKPJ-CQSZACIVSA-N 0 3 308.382 0.293 20 5 DCBDHN C[NH+](C)CC1(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001094090057 768856066 /nfs/dbraw/zinc/85/60/66/768856066.db2.gz WOAZXCJVIZMOPJ-UHFFFAOYSA-N 0 3 323.353 0.565 20 5 DCBDHN CN(CCCNC(=O)CNC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001233705485 769430723 /nfs/dbraw/zinc/43/07/23/769430723.db2.gz JCWDNSMFWDXBHM-UHFFFAOYSA-N 0 3 323.353 0.201 20 5 DCBDHN CN(CCO)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001155244857 770447791 /nfs/dbraw/zinc/44/77/91/770447791.db2.gz OHZUYHXKGRJFOD-UHFFFAOYSA-N 0 3 310.354 0.437 20 5 DCBDHN COc1cc(C)nc([N-][C@@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155571370 770548883 /nfs/dbraw/zinc/54/88/83/770548883.db2.gz SEIDYHUAMMUDOH-ZANVPECISA-N 0 3 307.310 0.297 20 5 DCBDHN CN1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC001178709644 770846070 /nfs/dbraw/zinc/84/60/70/770846070.db2.gz QURSFDJGAOSVBA-NSHDSACASA-N 0 3 308.338 0.213 20 5 DCBDHN Cn1nncc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001157349834 771592401 /nfs/dbraw/zinc/59/24/01/771592401.db2.gz QNDHCUGDEMVFFH-UHFFFAOYSA-N 0 3 324.366 0.695 20 5 DCBDHN O=C(NCCCNCc1noc2c1COCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001157775646 771670644 /nfs/dbraw/zinc/67/06/44/771670644.db2.gz UHKYAVFYEKPQGT-BXKDBHETSA-N 0 3 324.337 0.008 20 5 DCBDHN O=C(Cn1nccn1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001158921327 771835033 /nfs/dbraw/zinc/83/50/33/771835033.db2.gz GHBRZCOVKGJUJX-UHFFFAOYSA-N 0 3 318.337 0.482 20 5 DCBDHN CN(C)/C=C/c1cc(NC[C@@H]2COCCN2)ncc1[N+](=O)[O-] ZINC001159043851 771850889 /nfs/dbraw/zinc/85/08/89/771850889.db2.gz IPCJQBHQZBWBAR-OGOUPESXSA-N 0 3 307.354 0.922 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2CCOCC1CC1 ZINC001481379913 939765450 /nfs/dbraw/zinc/76/54/50/939765450.db2.gz NHGMSVTZCRCNGO-LXTVHRRPSA-N 0 3 323.393 0.753 20 5 DCBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCN(CC2CC2)C1 ZINC001320009694 945717581 /nfs/dbraw/zinc/71/75/81/945717581.db2.gz KJSDPNURTYVWMR-LBPRGKRZSA-N 0 3 320.349 0.357 20 5 DCBDHN Cc1nocc1CN(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273507612 947932326 /nfs/dbraw/zinc/93/23/26/947932326.db2.gz HCULFCWNKZNVKE-CHWSQXEVSA-N 0 3 310.354 0.929 20 5 DCBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001344846664 953545048 /nfs/dbraw/zinc/54/50/48/953545048.db2.gz OIPUKANJIXDWAD-VWYCJHECSA-N 0 3 308.338 0.354 20 5 DCBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC001347858123 954173938 /nfs/dbraw/zinc/17/39/38/954173938.db2.gz YLSMSCFRMCSPOQ-SNVBAGLBSA-N 0 3 309.326 0.301 20 5 DCBDHN CN1CCC(N(CCO)C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC001300046598 955662248 /nfs/dbraw/zinc/66/22/48/955662248.db2.gz WZFAFTWYUIKOAK-UHFFFAOYSA-N 0 3 322.365 0.706 20 5 DCBDHN COC(=O)c1cnc(N2C[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001307122682 956928007 /nfs/dbraw/zinc/92/80/07/956928007.db2.gz PBJLIGVPTNIPMF-SKDRFNHKSA-N 0 3 306.322 0.917 20 5 DCBDHN O=[N+]([O-])c1ccccc1CNCC1(O)CCS(=O)(=O)CC1 ZINC001340775425 960252956 /nfs/dbraw/zinc/25/29/56/960252956.db2.gz DRUBJFXIDFWDCR-UHFFFAOYSA-N 0 3 314.363 0.624 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001435967794 1006093223 /nfs/dbraw/zinc/09/32/23/1006093223.db2.gz LXCCKYNZXPXVNT-ZDUSSCGKSA-N 0 3 314.430 0.964 20 5 DCBDHN C[C@H]1[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCN1C ZINC001458613485 1012230311 /nfs/dbraw/zinc/23/03/11/1012230311.db2.gz CGWWTDWWMJCOGS-IUCAKERBSA-N 0 3 314.367 0.747 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3CCN(C)[C@H]3C2)n1 ZINC001559194854 1012407926 /nfs/dbraw/zinc/40/79/26/1012407926.db2.gz JOAFQHCZRNVRHI-SKDRFNHKSA-N 0 3 306.322 0.917 20 5 DCBDHN CN(CCNc1nc2ccccn2c1[N+](=O)[O-])CCOCCO ZINC001559265539 1012412978 /nfs/dbraw/zinc/41/29/78/1012412978.db2.gz SIFSFAUBKODYBC-UHFFFAOYSA-N 0 3 323.353 0.595 20 5 DCBDHN NC(=O)C1(NCCn2cc([N+](=O)[O-])ccc2=O)CCCCC1 ZINC000090559275 185303575 /nfs/dbraw/zinc/30/35/75/185303575.db2.gz DFVPJGZGJVSBLS-UHFFFAOYSA-N 0 3 308.338 0.534 20 5 DCBDHN CNS(=O)(=O)c1ccc(N2CCN[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052783438 290791250 /nfs/dbraw/zinc/79/12/50/290791250.db2.gz DAKFZFSZCMMIJC-SECBINFHSA-N 0 3 314.367 0.301 20 5 DCBDHN C[C@@H](CN(C)C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000286918876 219226206 /nfs/dbraw/zinc/22/62/06/219226206.db2.gz IGPCEVKXVDZVLI-JTQLQIEISA-N 0 3 308.338 0.391 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCN(C2CC2)C1 ZINC000331382925 233243550 /nfs/dbraw/zinc/24/35/50/233243550.db2.gz JNBWUZLFIAVGOA-JTQLQIEISA-N 0 3 306.322 0.109 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CNCc2ccccc21 ZINC000566190864 291279281 /nfs/dbraw/zinc/27/92/81/291279281.db2.gz SOSNLIVGOSYAHL-CQSZACIVSA-N 0 3 315.333 0.795 20 5 DCBDHN COCCNCCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000423530750 240200332 /nfs/dbraw/zinc/20/03/32/240200332.db2.gz ZBXJSXPMMNCSDA-UHFFFAOYSA-N 0 3 311.338 0.878 20 5 DCBDHN O=C(C[C@@H]1CNCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000157471654 283861886 /nfs/dbraw/zinc/86/18/86/283861886.db2.gz XEDJVSSPRFMALP-CQSZACIVSA-N 0 3 305.334 0.858 20 5 DCBDHN CN(C)CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000339964246 253170575 /nfs/dbraw/zinc/17/05/75/253170575.db2.gz XVUVEDTWMAQHNI-UHFFFAOYSA-N 0 3 316.383 0.819 20 5 DCBDHN CCOC(=O)[C@H](C)[C@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000351144743 254333646 /nfs/dbraw/zinc/33/36/46/254333646.db2.gz XWDYHFLGNIVFGN-MNOVXSKESA-N 0 3 311.338 0.934 20 5 DCBDHN C[C@@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000033093264 395716213 /nfs/dbraw/zinc/71/62/13/395716213.db2.gz HGVZVBFPETUODN-NSHDSACASA-N 0 3 322.365 0.781 20 5 DCBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000271070383 395835687 /nfs/dbraw/zinc/83/56/87/395835687.db2.gz YBNHSYCMNPIYFZ-NSHDSACASA-N 0 3 309.370 0.980 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](N)c1ccccc1 ZINC000152086947 396000372 /nfs/dbraw/zinc/00/03/72/396000372.db2.gz KJDQTHDOSSBYDV-GFCCVEGCSA-N 0 3 303.322 0.916 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@](C)(O)CN(C)C ZINC000276972470 396040762 /nfs/dbraw/zinc/04/07/62/396040762.db2.gz AMDPKMZNILLSQQ-AWEZNQCLSA-N 0 3 311.338 0.646 20 5 DCBDHN CNC(=O)CCN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000170782821 396098027 /nfs/dbraw/zinc/09/80/27/396098027.db2.gz JKGHMEKKBXLHGL-LBPRGKRZSA-N 0 3 311.338 0.402 20 5 DCBDHN COCCN(C)CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175976279 396147999 /nfs/dbraw/zinc/14/79/99/396147999.db2.gz IBEHZUHGVNBNJT-UHFFFAOYSA-N 0 3 310.354 0.875 20 5 DCBDHN Cc1nn(C)c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000177169540 396168141 /nfs/dbraw/zinc/16/81/41/396168141.db2.gz XNPVEWNWEJCHAL-WCBMZHEXSA-N 0 3 307.354 0.992 20 5 DCBDHN CCN1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076268138 396200029 /nfs/dbraw/zinc/20/00/29/396200029.db2.gz XPESIEFZWXYHOP-JTQLQIEISA-N 0 3 309.374 0.405 20 5 DCBDHN C[C@H](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[NH+](C)C ZINC000594817957 396521188 /nfs/dbraw/zinc/52/11/88/396521188.db2.gz WPVXUVRCCVNGPH-SECBINFHSA-N 0 3 302.356 0.608 20 5 DCBDHN Cc1sc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000595946854 396690875 /nfs/dbraw/zinc/69/08/75/396690875.db2.gz IZUPNPCJAYJDSG-UHFFFAOYSA-N 0 3 323.334 0.849 20 5 DCBDHN CN1CC[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000562995979 396690889 /nfs/dbraw/zinc/69/08/89/396690889.db2.gz NDOUSCDXDIHYQH-DGCLKSJQSA-N 0 3 309.322 0.155 20 5 DCBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](O)C1 ZINC000304219947 396728108 /nfs/dbraw/zinc/72/81/08/396728108.db2.gz IKIJBNYVDUOJNZ-NSHDSACASA-N 0 3 307.306 0.959 20 5 DCBDHN CCN1CCN([C@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)CC1 ZINC000596119944 396719891 /nfs/dbraw/zinc/71/98/91/396719891.db2.gz BRARUNQXGMTPNZ-LBPRGKRZSA-N 0 3 320.397 0.788 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000611100909 396816984 /nfs/dbraw/zinc/81/69/84/396816984.db2.gz PXQCRMLBKCIJRM-NSHDSACASA-N 0 3 322.369 0.247 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597652871 397045237 /nfs/dbraw/zinc/04/52/37/397045237.db2.gz FOYGPSXBXNQIRW-NSHDSACASA-N 0 3 311.338 0.402 20 5 DCBDHN CN(C)[C@@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000573282347 397152315 /nfs/dbraw/zinc/15/23/15/397152315.db2.gz BQRLNMOQPLBMGJ-OLZOCXBDSA-N 0 3 323.353 0.638 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2C=C[C@H](CO)C2)c1 ZINC000592430822 397175343 /nfs/dbraw/zinc/17/53/43/397175343.db2.gz LBKUSVHXROUTMR-SCRDCRAPSA-N 0 3 308.334 0.861 20 5 DCBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601422258 397113515 /nfs/dbraw/zinc/11/35/15/397113515.db2.gz RJEYQUAPBPEFJV-ZJUUUORDSA-N 0 3 314.367 0.703 20 5 DCBDHN C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[NH2+]1 ZINC000599107097 397338878 /nfs/dbraw/zinc/33/88/78/397338878.db2.gz ZAVOXIUKIPYHGT-BDAKNGLRSA-N 0 3 300.340 0.409 20 5 DCBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)Cn3cccn3)CC2)n1 ZINC000365824696 397321715 /nfs/dbraw/zinc/32/17/15/397321715.db2.gz ZJVHMLUFCHSIMK-ZDUSSCGKSA-N 0 3 320.353 0.686 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593604649 397406542 /nfs/dbraw/zinc/40/65/42/397406542.db2.gz CYANVVGOHYVEIE-CQSZACIVSA-N 0 3 311.313 0.459 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000602773457 397481082 /nfs/dbraw/zinc/48/10/82/397481082.db2.gz TWWMVCBLAODCKS-KGLIPLIRSA-N 0 3 323.397 0.631 20 5 DCBDHN CC(C(=O)N(C)Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000048499909 158006556 /nfs/dbraw/zinc/00/65/56/158006556.db2.gz IRSZZEHDDXMRRP-SECBINFHSA-N 0 3 300.336 0.986 20 5 DCBDHN NC(=O)C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000367987633 159368870 /nfs/dbraw/zinc/36/88/70/159368870.db2.gz GLOTVNBQOJOCRQ-RYUDHWBXSA-N 0 3 323.349 0.532 20 5 DCBDHN CN(C)Cc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000342903302 415349158 /nfs/dbraw/zinc/34/91/58/415349158.db2.gz KIDUKCLKHZFSHJ-UHFFFAOYSA-N 0 3 304.310 0.887 20 5 DCBDHN CC(C(=O)NCCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000089304992 415520529 /nfs/dbraw/zinc/52/05/29/415520529.db2.gz QDEKGJUALGXQOR-VIFPVBQESA-N 0 3 300.336 0.687 20 5 DCBDHN COc1cc(CNC[C@H]2CC[C@H](CO)O2)c([N+](=O)[O-])cc1O ZINC000353690966 415627431 /nfs/dbraw/zinc/62/74/31/415627431.db2.gz SLOBMKXGTPXGRO-GHMZBOCLSA-N 0 3 312.322 0.939 20 5 DCBDHN CO[C@@H](CN)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000289955184 415742878 /nfs/dbraw/zinc/74/28/78/415742878.db2.gz MKHZNXRKRMMEDC-ZDUSSCGKSA-N 0 3 310.354 0.795 20 5 DCBDHN CN(CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000344831824 415994525 /nfs/dbraw/zinc/99/45/25/415994525.db2.gz RUKHBTVZLXGTFT-UHFFFAOYSA-N 0 3 306.322 0.744 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCOCCN(C)C ZINC000345944364 416172308 /nfs/dbraw/zinc/17/23/08/416172308.db2.gz ZTGSOOJECINFGC-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000583619234 416480246 /nfs/dbraw/zinc/48/02/46/416480246.db2.gz CLXMTDBZIAAGGB-OAHLLOKOSA-N 0 3 320.349 0.485 20 5 DCBDHN CCN1CCN([C@H](C)CNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596078176 416576452 /nfs/dbraw/zinc/57/64/52/416576452.db2.gz MWJONXJHYODXDR-LLVKDONJSA-N 0 3 308.386 1.010 20 5 DCBDHN C[C@H]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CN1C1CC1 ZINC000548092005 416684822 /nfs/dbraw/zinc/68/48/22/416684822.db2.gz USXOBNPOJAUOPD-DTWKUNHWSA-N 0 3 305.338 0.927 20 5 DCBDHN COCC(C)(C)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000425501557 416709425 /nfs/dbraw/zinc/70/94/25/416709425.db2.gz FEWGYFZWVFINBC-UHFFFAOYSA-N 0 3 311.386 0.834 20 5 DCBDHN CN(C)CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000443386165 416758056 /nfs/dbraw/zinc/75/80/56/416758056.db2.gz LTSXJYGAGSTBIA-UHFFFAOYSA-N 0 3 323.353 0.072 20 5 DCBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000518948661 416883613 /nfs/dbraw/zinc/88/36/13/416883613.db2.gz WVIYBMTZGBMTKW-UHFFFAOYSA-N 0 3 323.397 0.643 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000427691266 416836437 /nfs/dbraw/zinc/83/64/37/416836437.db2.gz WXKVQKMGXGLVQO-AWEZNQCLSA-N 0 3 309.322 0.400 20 5 DCBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N1CCOCC1 ZINC000449248884 417134656 /nfs/dbraw/zinc/13/46/56/417134656.db2.gz IHKOGDGOCXABOD-LBPRGKRZSA-N 0 3 307.350 0.974 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CC[C@@H](C)C1 ZINC000525292370 417135072 /nfs/dbraw/zinc/13/50/72/417135072.db2.gz NUHIIXVTRIPKPN-LLVKDONJSA-N 0 3 309.370 0.948 20 5 DCBDHN CC(C)C[C@@H](C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000568510597 417145388 /nfs/dbraw/zinc/14/53/88/417145388.db2.gz VKBPOEKXPCBHLD-VIFPVBQESA-N 0 3 302.356 0.642 20 5 DCBDHN O=[N+]([O-])c1cccc2ncnc(NCCN3CCC(O)CC3)c21 ZINC000450863153 417278872 /nfs/dbraw/zinc/27/88/72/417278872.db2.gz GMDZSGQLRNBSER-UHFFFAOYSA-N 0 3 317.349 1.407 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3COCCO3)C2)nc1 ZINC000450556812 417239503 /nfs/dbraw/zinc/23/95/03/417239503.db2.gz BDLOSZHEANVXKH-YPMHNXCESA-N 0 3 308.338 0.891 20 5 DCBDHN NC(=O)c1ccc(NC[C@@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000450594799 417242478 /nfs/dbraw/zinc/24/24/78/417242478.db2.gz KVUUPLHKMCEKSW-LBPRGKRZSA-N 0 3 322.365 0.952 20 5 DCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000570464702 417359305 /nfs/dbraw/zinc/35/93/05/417359305.db2.gz TYOPFNGINVMEDN-WDEREUQCSA-N 0 3 318.333 0.287 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCCO)cc1 ZINC000570280094 417335418 /nfs/dbraw/zinc/33/54/18/417335418.db2.gz YWKOGFAYVLUXSS-UHFFFAOYSA-N 0 3 302.352 0.731 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000576220124 417590961 /nfs/dbraw/zinc/59/09/61/417590961.db2.gz DGLFLEGXYKUWPW-VXGBXAGGSA-N 0 3 306.326 0.543 20 5 DCBDHN CC(C)N1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000457110100 417691004 /nfs/dbraw/zinc/69/10/04/417691004.db2.gz HUCBAKJGFKXOBB-LBPRGKRZSA-N 0 3 322.365 0.698 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](N2CCCC2)C1 ZINC000363688882 262127870 /nfs/dbraw/zinc/12/78/70/262127870.db2.gz DOSUVAOJQLECOX-LBPRGKRZSA-N 0 3 320.349 0.453 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)CN)c1cccc([N+](=O)[O-])c1 ZINC000418780493 262289137 /nfs/dbraw/zinc/28/91/37/262289137.db2.gz KQJADPJTIWFSNJ-VHSXEESVSA-N 0 3 308.338 0.578 20 5 DCBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000419003123 262303203 /nfs/dbraw/zinc/30/32/03/262303203.db2.gz MVSWSUGTFKUIPH-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN C[C@H](NC(=O)C(=O)N[C@H](CN)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000419152048 262313620 /nfs/dbraw/zinc/31/36/20/262313620.db2.gz NWIRIQZJIAHWPX-JOYOIKCWSA-N 0 3 320.349 0.626 20 5 DCBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CCCNC2)cc1 ZINC000420398527 262373065 /nfs/dbraw/zinc/37/30/65/262373065.db2.gz ANAWFDDHBCKOJT-GFCCVEGCSA-N 0 3 313.379 0.809 20 5 DCBDHN Cn1cc2c(n1)CCC[C@@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515376337 287654179 /nfs/dbraw/zinc/65/41/79/287654179.db2.gz JITRVCRTLIRXKT-AAEUAGOBSA-N 0 3 320.353 0.553 20 5 DCBDHN CN(C)S(=O)(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 ZINC000037365573 276815835 /nfs/dbraw/zinc/81/58/35/276815835.db2.gz DFCALTVYCWKQKC-UHFFFAOYSA-N 0 3 314.367 0.255 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000552436178 288275055 /nfs/dbraw/zinc/27/50/55/288275055.db2.gz QGLYRXXPJXMYQQ-RYUDHWBXSA-N 0 3 309.322 0.107 20 5 DCBDHN CCc1ccnc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000564864571 288779768 /nfs/dbraw/zinc/77/97/68/288779768.db2.gz PDHSTYJCOFTUOE-CQSZACIVSA-N 0 3 305.338 0.899 20 5 DCBDHN CO[C@@H]1COC[C@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583379687 332374305 /nfs/dbraw/zinc/37/43/05/332374305.db2.gz LGIRRPINWNURQT-DGCLKSJQSA-N 0 3 309.322 0.927 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CO)CC(F)F ZINC000575181017 341783884 /nfs/dbraw/zinc/78/38/84/341783884.db2.gz MAGUTVKYCYFWFY-UWVGGRQHSA-N 0 3 320.292 0.940 20 5 DCBDHN CN(CCc1nccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000158012197 522990551 /nfs/dbraw/zinc/99/05/51/522990551.db2.gz WERFNYXDHMEYCA-NSHDSACASA-N 0 3 311.367 0.783 20 5 DCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCNCC1 ZINC000237620876 525232595 /nfs/dbraw/zinc/23/25/95/525232595.db2.gz ZVQDVXRDNLONIO-NSHDSACASA-N 0 3 320.349 0.535 20 5 DCBDHN CC1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000330733659 528243015 /nfs/dbraw/zinc/24/30/15/528243015.db2.gz KSJYLNNIBYQHCH-UHFFFAOYSA-N 0 3 322.365 0.605 20 5 DCBDHN CC(C)[C@@H]1CN(C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993134 528742660 /nfs/dbraw/zinc/74/26/60/528742660.db2.gz STZMMYGPGPPWIV-KGLIPLIRSA-N 0 3 311.386 0.424 20 5 DCBDHN COC(=O)c1cc(C)nc(N2CCN3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000599084165 546307973 /nfs/dbraw/zinc/30/79/73/546307973.db2.gz UAVXGFIWVDQMMH-JTQLQIEISA-N 0 3 306.322 0.979 20 5 DCBDHN C[NH+](C)C[C@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825856202 607737627 /nfs/dbraw/zinc/73/76/27/607737627.db2.gz RIWAFGVDOSXCAT-CYBMUJFWSA-N 0 3 321.341 0.499 20 5 DCBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000820778068 606803914 /nfs/dbraw/zinc/80/39/14/606803914.db2.gz UZKAZMJMXDZCBR-LDYMZIIASA-N 0 3 318.341 0.556 20 5 DCBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1[NH+](C)C ZINC000820778068 606803916 /nfs/dbraw/zinc/80/39/16/606803916.db2.gz UZKAZMJMXDZCBR-LDYMZIIASA-N 0 3 318.341 0.556 20 5 DCBDHN CN(CCO)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000925007617 661872270 /nfs/dbraw/zinc/87/22/70/661872270.db2.gz STDXCPZHXVUJQN-UHFFFAOYSA-N 0 3 315.757 0.831 20 5 DCBDHN C[C@@H](NC[C@@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285308 663451128 /nfs/dbraw/zinc/45/11/28/663451128.db2.gz IRTAEYJUVVYHFS-IUODEOHRSA-N 0 3 309.366 0.939 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)CCO ZINC000912610455 664195033 /nfs/dbraw/zinc/19/50/33/664195033.db2.gz QRZIHYXFWLJIIT-UHFFFAOYSA-N 0 3 311.338 0.600 20 5 DCBDHN NC(=O)C(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000996940630 667035357 /nfs/dbraw/zinc/03/53/57/667035357.db2.gz HGENZVNSRWPGTE-UHFFFAOYSA-N 0 3 312.351 0.222 20 5 DCBDHN CON(C)C(=O)[C@@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000863586382 667160584 /nfs/dbraw/zinc/16/05/84/667160584.db2.gz FXUWNVANZBEQRC-SNVBAGLBSA-N 0 3 324.337 0.921 20 5 DCBDHN Cn1c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000889781724 667996619 /nfs/dbraw/zinc/99/66/19/667996619.db2.gz OIKVIZNNUJXIOK-NEPJUHHUSA-N 0 3 322.365 0.605 20 5 DCBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000874837026 668225137 /nfs/dbraw/zinc/22/51/37/668225137.db2.gz GADRMWZXBDZXFM-QWHCGFSZSA-N 0 3 320.349 0.452 20 5 DCBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C1(O)CCOCC1 ZINC000930355550 668999895 /nfs/dbraw/zinc/99/98/95/668999895.db2.gz ZONRXMBUGRCHTD-HNNXBMFYSA-N 0 3 324.377 0.972 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000934394521 669600551 /nfs/dbraw/zinc/60/05/51/669600551.db2.gz HCDHCEMERSPTDB-KOLCDFICSA-N 0 3 307.354 0.841 20 5 DCBDHN COC(=O)[C@H]1[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794970441 669869569 /nfs/dbraw/zinc/86/95/69/669869569.db2.gz YVTIHOFWORIUGC-RQJABVFESA-N 0 3 306.318 0.979 20 5 DCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCC1 ZINC000808221929 670400299 /nfs/dbraw/zinc/40/02/99/670400299.db2.gz UFSNFCHJPGYXJP-ZDUSSCGKSA-N 0 3 307.350 0.710 20 5 DCBDHN CON(C)C(=O)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819373248 671115006 /nfs/dbraw/zinc/11/50/06/671115006.db2.gz DBNMXIGBSOBHRS-UHFFFAOYSA-N 0 3 310.310 0.533 20 5 DCBDHN CC(C)n1ncnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138808 693709904 /nfs/dbraw/zinc/70/99/04/693709904.db2.gz BJDHSVXDIRRUJJ-DDHJBXDOSA-N 0 3 322.369 0.261 20 5 DCBDHN Cc1nnc(CNCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001754370496 1157715180 /nfs/dbraw/zinc/71/51/80/1157715180.db2.gz DIOBQZBYJVUAKZ-NXEZZACHSA-N 0 3 313.383 0.450 20 5 DCBDHN CCc1nc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001567493933 1160394681 /nfs/dbraw/zinc/39/46/81/1160394681.db2.gz LTUXRVLFCSGMRU-GHMZBOCLSA-N 0 3 312.395 0.919 20 5 DCBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cn1cncn1 ZINC001567602478 1160437344 /nfs/dbraw/zinc/43/73/44/1160437344.db2.gz CPOVTWXKMFWTGT-UHFFFAOYSA-N 0 3 318.337 0.435 20 5 DCBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001579537326 1165340840 /nfs/dbraw/zinc/34/08/40/1165340840.db2.gz NMRDJIMCECAILC-SECBINFHSA-N 0 3 309.297 0.903 20 5 DCBDHN CC1(C)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001590105930 1166773915 /nfs/dbraw/zinc/77/39/15/1166773915.db2.gz KUVARKFAMOHKHM-UHFFFAOYSA-N 0 3 303.326 0.963 20 5 DCBDHN CC[N@H+](CCCO)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590701705 1166976214 /nfs/dbraw/zinc/97/62/14/1166976214.db2.gz NDGBJYHIZUNYFF-UHFFFAOYSA-N 0 3 306.326 0.979 20 5 DCBDHN CC[N@@H+](CCCO)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590701705 1166976226 /nfs/dbraw/zinc/97/62/26/1166976226.db2.gz NDGBJYHIZUNYFF-UHFFFAOYSA-N 0 3 306.326 0.979 20 5 DCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC2(CCO)CCN(C)CC2)n1 ZINC001598428369 1168021179 /nfs/dbraw/zinc/02/11/79/1168021179.db2.gz NLHDHVZQARLTRF-UHFFFAOYSA-N 0 3 322.365 0.875 20 5 DCBDHN C[NH+](C)C1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001609266316 1170903518 /nfs/dbraw/zinc/90/35/18/1170903518.db2.gz ZAVBVIDTYGJVMM-UHFFFAOYSA-N 0 3 304.314 0.676 20 5 DCBDHN C[NH+](C)C1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001609266316 1170903525 /nfs/dbraw/zinc/90/35/25/1170903525.db2.gz ZAVBVIDTYGJVMM-UHFFFAOYSA-N 0 3 304.314 0.676 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001635983111 1171720539 /nfs/dbraw/zinc/72/05/39/1171720539.db2.gz XMLMAKALZLTYFP-RYUDHWBXSA-N 0 3 320.349 0.458 20 5 DCBDHN O=C(N[C@H](CO)CN1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641856920 1171930967 /nfs/dbraw/zinc/93/09/67/1171930967.db2.gz HQEAJMAIKKSMBG-GXTWGEPZSA-N 0 3 323.349 0.201 20 5 DCBDHN CN1CCN(C2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC001655777586 1173827219 /nfs/dbraw/zinc/82/72/19/1173827219.db2.gz DEXBKYUXUFVKNV-UHFFFAOYSA-N 0 3 321.385 0.183 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CSCCN2)n1 ZINC001655812655 1173828593 /nfs/dbraw/zinc/82/85/93/1173828593.db2.gz WYJLTGZCZMCGAB-MRVPVSSYSA-N 0 3 312.351 0.893 20 5 DCBDHN COc1cc(C[NH2+]CC[C@@H]2CNC(=O)C2)c([N+](=O)[O-])cc1[O-] ZINC001656918400 1173895250 /nfs/dbraw/zinc/89/52/50/1173895250.db2.gz UXQBCYGYFMRLFC-VIFPVBQESA-N 0 3 309.322 0.925 20 5 DCBDHN NS(=O)(=O)C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001660447762 1173994814 /nfs/dbraw/zinc/99/48/14/1173994814.db2.gz MYZHGXRTXXFKQE-LBPRGKRZSA-N 0 3 313.379 0.748 20 5 DCBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(OC)nc1 ZINC001753081529 1188493837 /nfs/dbraw/zinc/49/38/37/1188493837.db2.gz IWDVRZSEXGBAQF-CHWSQXEVSA-N 0 3 322.365 0.694 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc[n+]([O-])cc1 ZINC001123039826 767919040 /nfs/dbraw/zinc/91/90/40/767919040.db2.gz JQJSUBXDAYWBNL-UHFFFAOYSA-N 0 3 316.317 0.748 20 5 DCBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001169013449 760544225 /nfs/dbraw/zinc/54/42/25/760544225.db2.gz VHHBWXQVFVMWBJ-ZNSHCXBVSA-N 0 3 312.288 0.792 20 5 DCBDHN CC(C)(C(N)=O)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001129923913 763051929 /nfs/dbraw/zinc/05/19/29/763051929.db2.gz CPNGFNKUBCATBR-UHFFFAOYSA-N 0 3 308.338 0.312 20 5 DCBDHN CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])c(=O)n(C)c2)CCNC1 ZINC001170515767 763511149 /nfs/dbraw/zinc/51/11/49/763511149.db2.gz OOURDQABMBTSGI-UHFFFAOYSA-N 0 3 322.321 0.516 20 5 DCBDHN C[C@H](Nc1ccc([N+](=O)[O-])c2c1CNC2=O)[C@H]1CNCCO1 ZINC001170569972 763866605 /nfs/dbraw/zinc/86/66/05/763866605.db2.gz BLVRYOHYEUNEJU-QPUJVOFHSA-N 0 3 306.322 0.627 20 5 DCBDHN O=C(CN[C@@H](CO)[C@@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC001171144956 766812022 /nfs/dbraw/zinc/81/20/22/766812022.db2.gz SLOBRDATFCSSOZ-YPMHNXCESA-N 0 3 323.349 0.910 20 5 DCBDHN CN(CCCNC(=O)CNC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001233706531 769432296 /nfs/dbraw/zinc/43/22/96/769432296.db2.gz ZOGVALCQPVGGHP-UHFFFAOYSA-N 0 3 323.353 0.201 20 5 DCBDHN NC(=O)CCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001177390290 770433828 /nfs/dbraw/zinc/43/38/28/770433828.db2.gz IAEBUUIRJSWBFD-UHFFFAOYSA-N 0 3 322.365 0.846 20 5 DCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCc1nnn2c1CNCCC2 ZINC001155397984 770491226 /nfs/dbraw/zinc/49/12/26/770491226.db2.gz PGXXJFXZQZLFBF-UHFFFAOYSA-N 0 3 319.325 0.234 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cocn1 ZINC001155731622 770600578 /nfs/dbraw/zinc/60/05/78/770600578.db2.gz DCPVJOBYFOMGPE-UHFFFAOYSA-N 0 3 308.298 0.226 20 5 DCBDHN NC(=O)CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156006911 770686383 /nfs/dbraw/zinc/68/63/83/770686383.db2.gz SGULYLOLOZBHCJ-UHFFFAOYSA-N 0 3 300.340 0.128 20 5 DCBDHN C[C@H](Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@@H]1CNCCO1 ZINC001159500210 771920118 /nfs/dbraw/zinc/92/01/18/771920118.db2.gz QXRVEFPBOIQKRQ-CBAPKCEASA-N 0 3 302.718 0.670 20 5 DCBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1nnc[nH]1 ZINC001267454612 939460190 /nfs/dbraw/zinc/46/01/90/939460190.db2.gz FTSBJNGHMAGCEM-UHFFFAOYSA-N 0 3 318.337 0.504 20 5 DCBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@@H]2CNCCO2)n1 ZINC001248351483 945597934 /nfs/dbraw/zinc/59/79/34/945597934.db2.gz CJAZKNMTZISASX-MRVPVSSYSA-N 0 3 309.257 0.710 20 5 DCBDHN CN(C)C[C@H]1CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001324265058 947370917 /nfs/dbraw/zinc/37/09/17/947370917.db2.gz BAJBBKAUNYYHJJ-LLVKDONJSA-N 0 3 308.338 0.309 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)CNCC2 ZINC001326305752 948125516 /nfs/dbraw/zinc/12/55/16/948125516.db2.gz LXTZFTVMBOKTGM-UHFFFAOYSA-N 0 3 302.294 0.621 20 5 DCBDHN O=c1[n-]ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC001328600538 948985726 /nfs/dbraw/zinc/98/57/26/948985726.db2.gz DTNUFDRWLAQJOR-LLVKDONJSA-N 0 3 308.338 0.731 20 5 DCBDHN O=c1[n-]ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC001328600538 948985730 /nfs/dbraw/zinc/98/57/30/948985730.db2.gz DTNUFDRWLAQJOR-LLVKDONJSA-N 0 3 308.338 0.731 20 5 DCBDHN Cc1cc(CN(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001280814541 951105143 /nfs/dbraw/zinc/10/51/43/951105143.db2.gz PGTDZCQBVBEOLZ-CHWSQXEVSA-N 0 3 310.354 0.929 20 5 DCBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001344846663 953543687 /nfs/dbraw/zinc/54/36/87/953543687.db2.gz OIPUKANJIXDWAD-OUAUKWLOSA-N 0 3 308.338 0.354 20 5 DCBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001443715188 1010606541 /nfs/dbraw/zinc/60/65/41/1010606541.db2.gz CKQYEYNFPLSCBO-UHFFFAOYSA-N 0 3 310.354 0.948 20 5 DCBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])cc1)CCOCCO ZINC001558099706 1012323826 /nfs/dbraw/zinc/32/38/26/1012323826.db2.gz VJWGUITZHIHLMK-UHFFFAOYSA-N 0 3 311.338 0.265 20 5 DCBDHN NC(=O)c1ccc(CN[C@H](CO)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001559909551 1012434384 /nfs/dbraw/zinc/43/43/84/1012434384.db2.gz IVXNAIUUCHSPDG-CHWSQXEVSA-N 0 3 323.349 0.571 20 5 DCBDHN C[C@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCN1 ZINC000420332158 240021216 /nfs/dbraw/zinc/02/12/16/240021216.db2.gz GENUTFRCWMJXKN-VIFPVBQESA-N 0 3 322.321 0.556 20 5 DCBDHN CN(C[C@H]1CCCN1C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000421704300 240096316 /nfs/dbraw/zinc/09/63/16/240096316.db2.gz OEXRKTJLGUNSOY-LLVKDONJSA-N 0 3 308.338 0.309 20 5 DCBDHN COC(=O)CC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000288488222 220174083 /nfs/dbraw/zinc/17/40/83/220174083.db2.gz CRTZRMUPNHAGLR-LLVKDONJSA-N 0 3 307.306 0.764 20 5 DCBDHN CN1CC[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000562995981 288614317 /nfs/dbraw/zinc/61/43/17/288614317.db2.gz NDOUSCDXDIHYQH-YPMHNXCESA-N 0 3 309.322 0.155 20 5 DCBDHN CCN1CC[C@@H]2OCCN(Cc3c([N+](=O)[O-])ncn3C)[C@H]2C1 ZINC000339385211 253076779 /nfs/dbraw/zinc/07/67/79/253076779.db2.gz NKFXJIPSDLQUPQ-AAEUAGOBSA-N 0 3 309.370 0.623 20 5 DCBDHN COC(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000346691007 254084019 /nfs/dbraw/zinc/08/40/19/254084019.db2.gz VJEBNONXMMGZNV-PWSUYJOCSA-N 0 3 309.322 0.640 20 5 DCBDHN C[C@@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])n[n-]2)C[C@@H](C)O1 ZINC000285451941 131169707 /nfs/dbraw/zinc/16/97/07/131169707.db2.gz MSIYEXUFVUBAEO-NXEZZACHSA-N 0 3 311.342 0.547 20 5 DCBDHN COc1ccc(NC(=O)CN2CCN[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000096525851 395754300 /nfs/dbraw/zinc/75/43/00/395754300.db2.gz NWWDGUAIVOAFMW-SNVBAGLBSA-N 0 3 308.338 0.836 20 5 DCBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000046946371 395783217 /nfs/dbraw/zinc/78/32/17/395783217.db2.gz XVBCUBREQKLLTD-LLVKDONJSA-N 0 3 310.354 0.944 20 5 DCBDHN CCCCN(C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000112309564 395815854 /nfs/dbraw/zinc/81/58/54/395815854.db2.gz YNBHEYZPJPUSRH-UHFFFAOYSA-N 0 3 310.354 0.605 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)[C@H](O)C1 ZINC000278652655 396137119 /nfs/dbraw/zinc/13/71/19/396137119.db2.gz HKWWZCXPDXUJEW-CHWSQXEVSA-N 0 3 309.322 0.269 20 5 DCBDHN C[C@@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CN1C1CC1 ZINC000177188876 396169447 /nfs/dbraw/zinc/16/94/47/396169447.db2.gz SBTOMTORYABSDP-MNOVXSKESA-N 0 3 320.349 0.498 20 5 DCBDHN Nc1nc(N2CCN(CC3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000265496805 396321822 /nfs/dbraw/zinc/32/18/22/396321822.db2.gz LSVRPBVJVVWVFX-UHFFFAOYSA-N 0 3 322.369 0.516 20 5 DCBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@@H+]1C[C@@H](C)O ZINC000286105721 396375207 /nfs/dbraw/zinc/37/52/07/396375207.db2.gz NJYQTQYHYNANNT-NXEZZACHSA-N 0 3 311.342 0.235 20 5 DCBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@H+]1C[C@@H](C)O ZINC000286105721 396375209 /nfs/dbraw/zinc/37/52/09/396375209.db2.gz NJYQTQYHYNANNT-NXEZZACHSA-N 0 3 311.342 0.235 20 5 DCBDHN C[NH+](C)CCn1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000188322629 396381241 /nfs/dbraw/zinc/38/12/41/396381241.db2.gz NZKGJPKVZBALLU-UHFFFAOYSA-N 0 3 320.309 0.706 20 5 DCBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCNCC1 ZINC000269135008 396388762 /nfs/dbraw/zinc/38/87/62/396388762.db2.gz QBDYQCXXNOXNLM-UHFFFAOYSA-N 0 3 320.349 0.537 20 5 DCBDHN Cc1c(NC(=O)C(=O)N[C@@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000287993391 396435952 /nfs/dbraw/zinc/43/59/52/396435952.db2.gz AZVIERRQHVTKCD-VIFPVBQESA-N 0 3 308.338 0.908 20 5 DCBDHN COC(=O)NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000496364636 396482227 /nfs/dbraw/zinc/48/22/27/396482227.db2.gz IAOYLXBQRYZHJP-SNVBAGLBSA-N 0 3 313.310 0.280 20 5 DCBDHN C[C@@H](NC(=O)N1CCN(C)C[C@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000580171753 396491494 /nfs/dbraw/zinc/49/14/94/396491494.db2.gz VMVAHZOCEDOEHA-BXUZGUMPSA-N 0 3 321.381 0.940 20 5 DCBDHN C[C@H](O)[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000581245982 396536917 /nfs/dbraw/zinc/53/69/17/396536917.db2.gz COEFEOPJUDULLG-UWVGGRQHSA-N 0 3 317.367 0.232 20 5 DCBDHN O=C1CCCN1C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595830170 396668265 /nfs/dbraw/zinc/66/82/65/396668265.db2.gz CUAXIUCFJCFMOD-LBPRGKRZSA-N 0 3 307.354 0.736 20 5 DCBDHN CN(C)C[C@H](CO)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000589101356 396704283 /nfs/dbraw/zinc/70/42/83/396704283.db2.gz ALJYESXXNIGRBN-SNVBAGLBSA-N 0 3 308.338 0.814 20 5 DCBDHN C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000299230581 396711445 /nfs/dbraw/zinc/71/14/45/396711445.db2.gz DJBSTWCUTSPNRZ-JTQLQIEISA-N 0 3 308.338 0.391 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000610925370 396784292 /nfs/dbraw/zinc/78/42/92/396784292.db2.gz AQWJNTPQOOAZTN-LBPRGKRZSA-N 0 3 322.365 0.916 20 5 DCBDHN NC(=O)c1cc(N[C@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000596234654 396740735 /nfs/dbraw/zinc/74/07/35/396740735.db2.gz WECOPTUEVATOSX-LBPRGKRZSA-N 0 3 322.365 0.952 20 5 DCBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CNCCO1)OCCO2 ZINC000591284791 396894194 /nfs/dbraw/zinc/89/41/94/396894194.db2.gz KOSNNFCWOYEDMT-LLVKDONJSA-N 0 3 309.322 0.444 20 5 DCBDHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000571538151 396962894 /nfs/dbraw/zinc/96/28/94/396962894.db2.gz PKPVUULAJREDGL-SNVBAGLBSA-N 0 3 319.745 0.349 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571940081 397004667 /nfs/dbraw/zinc/00/46/67/397004667.db2.gz RLDMUEFEXFICDS-AAEUAGOBSA-N 0 3 318.333 0.287 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](N3CCOCC3)C2)n1 ZINC000571698606 396979448 /nfs/dbraw/zinc/97/94/48/396979448.db2.gz UDCSMDPSJGOEMP-ZDUSSCGKSA-N 0 3 309.370 0.588 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000597652974 397044930 /nfs/dbraw/zinc/04/49/30/397044930.db2.gz GVRHZPLORYOPJE-SECBINFHSA-N 0 3 306.322 0.728 20 5 DCBDHN COC(=O)[C@@H]1CNCCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592434836 397177977 /nfs/dbraw/zinc/17/79/77/397177977.db2.gz OLHLXGJBCRNEOT-ZDUSSCGKSA-N 0 3 323.349 0.940 20 5 DCBDHN CN(C)C1(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598638280 397265694 /nfs/dbraw/zinc/26/56/94/397265694.db2.gz DLLYFHOVPXFXNS-UHFFFAOYSA-N 0 3 322.369 0.728 20 5 DCBDHN CCN1CCN(CC(C)(C)NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000598743605 397288299 /nfs/dbraw/zinc/28/82/99/397288299.db2.gz SWCSNQUMOKBNRW-UHFFFAOYSA-N 0 3 324.385 0.464 20 5 DCBDHN CCN1CCN(CC(C)(C)NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000598743605 397288304 /nfs/dbraw/zinc/28/83/04/397288304.db2.gz SWCSNQUMOKBNRW-UHFFFAOYSA-N 0 3 324.385 0.464 20 5 DCBDHN C[C@](CN)(NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598914539 397307741 /nfs/dbraw/zinc/30/77/41/397307741.db2.gz HBFITYOWILTBNU-CQSZACIVSA-N 0 3 306.322 0.777 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000578453813 397438380 /nfs/dbraw/zinc/43/83/80/397438380.db2.gz GUNDLTKVJWMVGV-VXGBXAGGSA-N 0 3 322.296 0.118 20 5 DCBDHN CC(C)[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000488023608 397483938 /nfs/dbraw/zinc/48/39/38/397483938.db2.gz IWAMTZHVTMPGRM-KGLIPLIRSA-N 0 3 311.386 0.424 20 5 DCBDHN CN(C[C@@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O)C1CC1 ZINC000578988290 397510017 /nfs/dbraw/zinc/51/00/17/397510017.db2.gz JQKXPBLOCZQRMN-SECBINFHSA-N 0 3 324.362 0.821 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594204686 397513090 /nfs/dbraw/zinc/51/30/90/397513090.db2.gz WRAPIXARHQSROI-QWHCGFSZSA-N 0 3 307.354 0.924 20 5 DCBDHN CN1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C1 ZINC000609665199 397788409 /nfs/dbraw/zinc/78/84/09/397788409.db2.gz CGZILEGTEANUSL-LBPRGKRZSA-N 0 3 321.381 0.775 20 5 DCBDHN CC[C@@H]1CCCCN1CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000113196650 158145039 /nfs/dbraw/zinc/14/50/39/158145039.db2.gz NYPPLFXNQDABOH-LLVKDONJSA-N 0 3 310.358 0.567 20 5 DCBDHN NC(=O)C[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000367987634 159369162 /nfs/dbraw/zinc/36/91/62/159369162.db2.gz GLOTVNBQOJOCRQ-VXGBXAGGSA-N 0 3 323.349 0.532 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000408054603 160024254 /nfs/dbraw/zinc/02/42/54/160024254.db2.gz SWKFCNUJDNSPNT-MNOVXSKESA-N 0 3 307.354 0.885 20 5 DCBDHN C[C@@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193401569 287060811 /nfs/dbraw/zinc/06/08/11/287060811.db2.gz YGQRTZSCSIURGI-HTQZYQBOSA-N 0 3 305.381 0.933 20 5 DCBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301810659 287141704 /nfs/dbraw/zinc/14/17/04/287141704.db2.gz GSBBVXLCNDVPJB-LBPRGKRZSA-N 0 3 319.365 0.908 20 5 DCBDHN CN1CC[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000416498971 287238133 /nfs/dbraw/zinc/23/81/33/287238133.db2.gz ZLPUDHXQMLKSFO-LLVKDONJSA-N 0 3 313.379 0.966 20 5 DCBDHN C[C@]1(F)CNCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000420337541 287291548 /nfs/dbraw/zinc/29/15/48/287291548.db2.gz RAQBNWGUBLXYGX-AWEZNQCLSA-N 0 3 310.329 0.827 20 5 DCBDHN Cc1nn(C)c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268189731 415171369 /nfs/dbraw/zinc/17/13/69/415171369.db2.gz MVNJQPPWAJUJEL-GZMMTYOYSA-N 0 3 307.354 0.849 20 5 DCBDHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164722 415275533 /nfs/dbraw/zinc/27/55/33/415275533.db2.gz WPCJYGVEHOGCHY-UMVBOHGHSA-N 0 3 323.397 0.711 20 5 DCBDHN C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000273052231 415303640 /nfs/dbraw/zinc/30/36/40/415303640.db2.gz XLEULOHQLKNJJM-LLVKDONJSA-N 0 3 307.354 0.948 20 5 DCBDHN CO[C@H]1COC[C@@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000290031044 415751293 /nfs/dbraw/zinc/75/12/93/415751293.db2.gz BUVCWVQFJUCCNX-SUNKGSAMSA-N 0 3 312.322 0.338 20 5 DCBDHN COC[C@@]1(C(=O)OC)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296505041 415929425 /nfs/dbraw/zinc/92/94/25/415929425.db2.gz ZLRBIMFNODQPNE-CYBMUJFWSA-N 0 3 312.326 0.303 20 5 DCBDHN CN(C)C(=O)CCN1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000344413461 415909671 /nfs/dbraw/zinc/90/96/71/415909671.db2.gz YVAYMMMLLRWADJ-UHFFFAOYSA-N 0 3 324.385 0.683 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CN(C)C)c1 ZINC000152879921 415971156 /nfs/dbraw/zinc/97/11/56/415971156.db2.gz NZQJGSPMBYSMKF-CQSZACIVSA-N 0 3 311.338 0.646 20 5 DCBDHN CCN1CCN(C[C@H](C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000152915886 415972836 /nfs/dbraw/zinc/97/28/36/415972836.db2.gz DHAHIMGLNQAVGD-LLVKDONJSA-N 0 3 324.385 0.321 20 5 DCBDHN COc1cc(CNCCc2ncn(C)n2)c([N+](=O)[O-])cc1O ZINC000344921578 416008624 /nfs/dbraw/zinc/00/86/24/416008624.db2.gz QVTFDAKTCFTMBB-UHFFFAOYSA-N 0 3 307.310 0.770 20 5 DCBDHN COCCNCCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000179379273 416186960 /nfs/dbraw/zinc/18/69/60/416186960.db2.gz UQVAAGNCUCTRSS-UHFFFAOYSA-N 0 3 317.367 0.418 20 5 DCBDHN C[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000192187103 416302051 /nfs/dbraw/zinc/30/20/51/416302051.db2.gz XPLYIQFYZIYRBJ-JQWIXIFHSA-N 0 3 300.384 0.980 20 5 DCBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CN2CCN1CCC2 ZINC000360833865 416413323 /nfs/dbraw/zinc/41/33/23/416413323.db2.gz YSZJQJIIVZXXEM-HNNXBMFYSA-N 0 3 318.377 0.643 20 5 DCBDHN C[C@H]1CCN(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000533038595 416469600 /nfs/dbraw/zinc/46/96/00/416469600.db2.gz UUDSIJWXUKMETG-NSHDSACASA-N 0 3 308.338 0.215 20 5 DCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423669361 416537294 /nfs/dbraw/zinc/53/72/94/416537294.db2.gz LVASGIDFYHLPDI-GFCCVEGCSA-N 0 3 320.349 0.503 20 5 DCBDHN CN1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C1 ZINC000368706539 416685035 /nfs/dbraw/zinc/68/50/35/416685035.db2.gz GDVKCBKLSIJCBB-LBPRGKRZSA-N 0 3 306.370 0.601 20 5 DCBDHN CCOC(=O)CCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441507166 416673623 /nfs/dbraw/zinc/67/36/23/416673623.db2.gz UKZSOPUJSJBNSF-NSHDSACASA-N 0 3 300.315 0.037 20 5 DCBDHN O=C(CCN1CC[C@@H](CO)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558166775 416763013 /nfs/dbraw/zinc/76/30/13/416763013.db2.gz VNSDCNWQQURGIR-FZMZJTMJSA-N 0 3 323.349 0.599 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H]3COCCO3)C2)nc1 ZINC000450556804 417239371 /nfs/dbraw/zinc/23/93/71/417239371.db2.gz BDLOSZHEANVXKH-DGCLKSJQSA-N 0 3 308.338 0.891 20 5 DCBDHN CC(C)c1n[nH]c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000570232177 417326803 /nfs/dbraw/zinc/32/68/03/417326803.db2.gz AGRBXSIYJGXFFV-IUCAKERBSA-N 0 3 311.342 0.188 20 5 DCBDHN CC(C)c1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000570232177 417326808 /nfs/dbraw/zinc/32/68/08/417326808.db2.gz AGRBXSIYJGXFFV-IUCAKERBSA-N 0 3 311.342 0.188 20 5 DCBDHN CO[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000451753882 417391709 /nfs/dbraw/zinc/39/17/09/417391709.db2.gz CESMYAALPPVPRW-CHWSQXEVSA-N 0 3 309.322 0.615 20 5 DCBDHN CO[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000451758485 417393871 /nfs/dbraw/zinc/39/38/71/417393871.db2.gz LACPCCBMEYFEEK-ZIAGYGMSSA-N 0 3 323.349 0.923 20 5 DCBDHN Cn1c(C(=O)NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000452353243 417469937 /nfs/dbraw/zinc/46/99/37/417469937.db2.gz UCXUCLKISWCSEQ-LLVKDONJSA-N 0 3 310.354 0.510 20 5 DCBDHN CCn1nc(C)c(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000573358440 417470291 /nfs/dbraw/zinc/47/02/91/417470291.db2.gz OQWMSWNEWNBYRS-ZDUSSCGKSA-N 0 3 322.369 0.775 20 5 DCBDHN NS(=O)(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000022815020 261104228 /nfs/dbraw/zinc/10/42/28/261104228.db2.gz FMAYQJAIPULFIC-UHFFFAOYSA-N 0 3 314.367 0.750 20 5 DCBDHN NC[C@@H]1CCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418870473 262294261 /nfs/dbraw/zinc/29/42/61/262294261.db2.gz PKGLJOUQBJJVOY-ZDUSSCGKSA-N 0 3 320.349 0.203 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N(C)[C@H](C)CN)c1ccccc1[N+](=O)[O-] ZINC000419133662 262312684 /nfs/dbraw/zinc/31/26/84/262312684.db2.gz GGLNLVWJCXEZGV-NXEZZACHSA-N 0 3 308.338 0.578 20 5 DCBDHN C[C@H](CN)NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419991861 262356274 /nfs/dbraw/zinc/35/62/74/262356274.db2.gz BOLYKWUFIMXECT-SNVBAGLBSA-N 0 3 320.349 0.549 20 5 DCBDHN COC(=O)COc1ccc(CN(C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000361007664 271170015 /nfs/dbraw/zinc/17/00/15/271170015.db2.gz AZEWAYKTTRWWBF-JTQLQIEISA-N 0 3 312.322 0.959 20 5 DCBDHN NC(=O)NC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488760770 272050054 /nfs/dbraw/zinc/05/00/54/272050054.db2.gz FGIFHGOQOVUYAO-UHFFFAOYSA-N 0 3 310.314 0.013 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000545885469 288004079 /nfs/dbraw/zinc/00/40/79/288004079.db2.gz WLYMKZHVWOIRHJ-CQSZACIVSA-N 0 3 308.338 0.461 20 5 DCBDHN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000552309583 288272191 /nfs/dbraw/zinc/27/21/91/288272191.db2.gz OPXJGXNDMASINX-JTQLQIEISA-N 0 3 308.338 0.391 20 5 DCBDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161552621 523112874 /nfs/dbraw/zinc/11/28/74/523112874.db2.gz ISRRSJPDJQWRLH-LBPRGKRZSA-N 0 3 324.385 0.775 20 5 DCBDHN CCc1nocc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775483 659556796 /nfs/dbraw/zinc/55/67/96/659556796.db2.gz CWNLZLGRVPTKDE-BLUODKFWSA-N 0 3 320.349 0.449 20 5 DCBDHN Cc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001025775372 659557443 /nfs/dbraw/zinc/55/74/43/659557443.db2.gz SPCNWTNSXSTGCX-LBELIVKGSA-N 0 3 306.322 0.195 20 5 DCBDHN Cc1nnc(CNC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000940107023 665701379 /nfs/dbraw/zinc/70/13/79/665701379.db2.gz CXJDHWGMQFYZMU-GHMZBOCLSA-N 0 3 323.353 0.514 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(CC3CCOCC3)C2)c1 ZINC000905974602 663592626 /nfs/dbraw/zinc/59/26/26/663592626.db2.gz VVZNIMOLQLLJJJ-OAHLLOKOSA-N 0 3 324.381 0.901 20 5 DCBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCN1CC[C@@H](O)C1 ZINC000863328941 667130924 /nfs/dbraw/zinc/13/09/24/667130924.db2.gz HJJIKZBJQNORKB-JHAQOBCDSA-N 0 3 305.334 0.791 20 5 DCBDHN CCC(CC)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOCC1 ZINC000839484587 667749377 /nfs/dbraw/zinc/74/93/77/667749377.db2.gz GKGAZJSDCNMCKW-MCIONIFRSA-N 0 3 313.398 0.905 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CC1)COCCO2 ZINC000880544664 669230338 /nfs/dbraw/zinc/23/03/38/669230338.db2.gz NPWBKMCWDCWALC-UHFFFAOYSA-N 0 3 323.349 0.638 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000716729161 670270690 /nfs/dbraw/zinc/27/06/90/670270690.db2.gz AGIAIIHKLURCHF-MRVPVSSYSA-N 0 3 301.730 0.901 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000808160480 670393690 /nfs/dbraw/zinc/39/36/90/670393690.db2.gz VONZQLCEHSGYAY-RYUDHWBXSA-N 0 3 320.349 0.458 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000808174243 670395489 /nfs/dbraw/zinc/39/54/89/670395489.db2.gz FDZJJEGULBUEFK-SNVBAGLBSA-N 0 3 310.354 0.313 20 5 DCBDHN CC(COC(=O)CCc1nc(-c2ncccn2)no1)[N+](=O)[O-] ZINC000813102078 670611123 /nfs/dbraw/zinc/61/11/23/670611123.db2.gz NPJAATNBGHSCFN-MRVPVSSYSA-N 0 3 307.266 0.668 20 5 DCBDHN CC(COC(=O)[C@@H]1COCCN1CC(F)(F)F)[N+](=O)[O-] ZINC000813114450 670612836 /nfs/dbraw/zinc/61/28/36/670612836.db2.gz BNMDJGSWZNZAPV-YUMQZZPRSA-N 0 3 300.233 0.458 20 5 DCBDHN CNC(=O)COc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114821 670612893 /nfs/dbraw/zinc/61/28/93/670612893.db2.gz HGXMQSQVZUZFQK-SNVBAGLBSA-N 0 3 310.306 0.562 20 5 DCBDHN O=C1[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1CCO ZINC000843105851 672062561 /nfs/dbraw/zinc/06/25/61/672062561.db2.gz XWEQCUAHUYKHNP-ZIAGYGMSSA-N 0 3 323.349 0.201 20 5 DCBDHN O=C(NC1CC2(CC(NCc3cnon3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000963791823 689095700 /nfs/dbraw/zinc/09/57/00/689095700.db2.gz RHEVKNHWMJNMLW-DTCRBJJBSA-N 0 3 321.337 0.252 20 5 DCBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnc(C)nc1 ZINC001691017305 1157402459 /nfs/dbraw/zinc/40/24/59/1157402459.db2.gz CWHHBALGCAXIIF-CHWSQXEVSA-N 0 3 307.354 0.388 20 5 DCBDHN Cc1ccc(OS(=O)(=O)C[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001574156842 1163649778 /nfs/dbraw/zinc/64/97/78/1163649778.db2.gz SLNZRCJXAIEULJ-JTQLQIEISA-N 0 3 316.335 0.600 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN[C@@H](CCO)C2)c1 ZINC001578875129 1165146927 /nfs/dbraw/zinc/14/69/27/1165146927.db2.gz VOEARUUCRZPGHF-NSHDSACASA-N 0 3 309.322 0.542 20 5 DCBDHN O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@H]2CNCCO2)c(F)c1 ZINC001580875902 1165749330 /nfs/dbraw/zinc/74/93/30/1165749330.db2.gz ULIKTYVAHLTKEL-SECBINFHSA-N 0 3 320.298 0.431 20 5 DCBDHN COC[C@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591370897 1167242822 /nfs/dbraw/zinc/24/28/22/1167242822.db2.gz WSRPTAMUWTXLOA-CYBMUJFWSA-N 0 3 321.341 0.859 20 5 DCBDHN COC[C@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591370897 1167242829 /nfs/dbraw/zinc/24/28/29/1167242829.db2.gz WSRPTAMUWTXLOA-CYBMUJFWSA-N 0 3 321.341 0.859 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[NH2+][C@@H](CO)C1CC1 ZINC001593482207 1167869292 /nfs/dbraw/zinc/86/92/92/1167869292.db2.gz MXOUBLDRTMEIIF-NSHDSACASA-N 0 3 304.310 0.635 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[NH2+][C@@H](CO)C1CC1 ZINC001593482207 1167869300 /nfs/dbraw/zinc/86/93/00/1167869300.db2.gz MXOUBLDRTMEIIF-NSHDSACASA-N 0 3 304.310 0.635 20 5 DCBDHN C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)[NH+](C)C ZINC001603555480 1169320999 /nfs/dbraw/zinc/32/09/99/1169320999.db2.gz QRXNPOJTMAIRNB-SSDOTTSWSA-N 0 3 306.330 0.719 20 5 DCBDHN C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)[NH+](C)C ZINC001603555480 1169321007 /nfs/dbraw/zinc/32/10/07/1169321007.db2.gz QRXNPOJTMAIRNB-SSDOTTSWSA-N 0 3 306.330 0.719 20 5 DCBDHN CN(CCNc1ncc([N+](=O)[O-])cc1Cl)CCOCCO ZINC001640320471 1171876379 /nfs/dbraw/zinc/87/63/79/1171876379.db2.gz NDFIMPSFQFHSBJ-UHFFFAOYSA-N 0 3 318.761 0.996 20 5 DCBDHN COC[C@@]1(CO)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001643116880 1171966601 /nfs/dbraw/zinc/96/66/01/1171966601.db2.gz DNJTYWKWPPLDMC-CABCVRRESA-N 0 3 310.350 0.959 20 5 DCBDHN CC1(C)CNC(=O)[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001654676946 1173808861 /nfs/dbraw/zinc/80/88/61/1173808861.db2.gz SLHMJNWNISXHAN-GXFFZTMASA-N 0 3 323.349 0.449 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@@H]2COC(=O)N2)CC1 ZINC001654962150 1173813779 /nfs/dbraw/zinc/81/37/79/1173813779.db2.gz PEJHMFGTIVNCDY-LBPRGKRZSA-N 0 3 323.353 0.920 20 5 DCBDHN COc1c(O)ccc(CNC[C@@]2(O)CCO[C@H]2C)c1[N+](=O)[O-] ZINC001664483321 1174435907 /nfs/dbraw/zinc/43/59/07/1174435907.db2.gz HLXSWIJYTTWXNH-XPTSAGLGSA-N 0 3 312.322 0.939 20 5 DCBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ncn(C)n1 ZINC001731908773 1185565817 /nfs/dbraw/zinc/56/58/17/1185565817.db2.gz BDANTNACOCMFHU-UHFFFAOYSA-N 0 3 318.337 0.585 20 5 DCBDHN O=C(NC/C=C/CNCc1cc(C2CC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001732849897 1186012611 /nfs/dbraw/zinc/01/26/11/1186012611.db2.gz FZKPFQAZLGPKEZ-GNFMIWQISA-N 0 3 320.349 0.979 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnc(C)nc1 ZINC001753142840 1188514168 /nfs/dbraw/zinc/51/41/68/1188514168.db2.gz CCOWARMXBQKUBH-ZIAGYGMSSA-N 0 3 321.381 0.778 20 5 DCBDHN Cn1nccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124539381 751669171 /nfs/dbraw/zinc/66/91/71/751669171.db2.gz MFYOOKZTDJEDLP-UHFFFAOYSA-N 0 3 303.322 0.848 20 5 DCBDHN Cc1nnc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001126663735 749565614 /nfs/dbraw/zinc/56/56/14/749565614.db2.gz LLAJKESRBNLJCU-UHFFFAOYSA-N 0 3 319.321 0.735 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1NC(=N)N1CCN(C)CC1 ZINC001168737421 753997901 /nfs/dbraw/zinc/99/79/01/753997901.db2.gz VWWPUYHHGVAPGP-UHFFFAOYSA-N 0 3 321.337 0.975 20 5 DCBDHN Cc1ccnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086363510 760102747 /nfs/dbraw/zinc/10/27/47/760102747.db2.gz YKMDTBHBTUGUQM-FDYHWXHSSA-N 0 3 319.365 0.435 20 5 DCBDHN Cn1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC001133332728 764928285 /nfs/dbraw/zinc/92/82/85/764928285.db2.gz VVXPQWPVDWKWOL-UHFFFAOYSA-N 0 3 319.321 0.554 20 5 DCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 ZINC001136492170 766310209 /nfs/dbraw/zinc/31/02/09/766310209.db2.gz SPVSKSZFCZCVPX-AAEUAGOBSA-N 0 3 320.349 0.891 20 5 DCBDHN Cc1nonc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001153561446 769853176 /nfs/dbraw/zinc/85/31/76/769853176.db2.gz QZAMLJZKGHCIPB-UHFFFAOYSA-N 0 3 305.294 0.806 20 5 DCBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001176902017 770242512 /nfs/dbraw/zinc/24/25/12/770242512.db2.gz FCKFFAYEWFCEKC-WDEREUQCSA-N 0 3 305.338 0.881 20 5 DCBDHN CN(c1ncnc2cccc([N+](=O)[O-])c21)S(=O)(=O)CCN ZINC001156240675 770760786 /nfs/dbraw/zinc/76/07/86/770760786.db2.gz UKNMRECKYNXJBF-UHFFFAOYSA-N 0 3 311.323 0.263 20 5 DCBDHN C[C@@H](Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@@H]1CNCCO1 ZINC001159500209 771920212 /nfs/dbraw/zinc/92/02/12/771920212.db2.gz QXRVEFPBOIQKRQ-APPZFPTMSA-N 0 3 302.718 0.670 20 5 DCBDHN CS(=O)(=O)N(c1nc2ccccc2cc1[N+](=O)[O-])C1CNC1 ZINC001166970408 772894037 /nfs/dbraw/zinc/89/40/37/772894037.db2.gz LNQXFIPNMGIECS-UHFFFAOYSA-N 0 3 322.346 0.881 20 5 DCBDHN CN(C)C(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001195115868 773328616 /nfs/dbraw/zinc/32/86/16/773328616.db2.gz WXLNRTHQWKYDCM-LLVKDONJSA-N 0 3 308.338 0.167 20 5 DCBDHN CN(CCNC(=O)Cc1nnc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480934902 939435141 /nfs/dbraw/zinc/43/51/41/939435141.db2.gz RRTSIFCKOBPCJO-UHFFFAOYSA-N 0 3 318.337 0.504 20 5 DCBDHN O=C(C(F)F)N(CCO)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001325957244 947991679 /nfs/dbraw/zinc/99/16/79/947991679.db2.gz JIVMANLQOMPKKT-UHFFFAOYSA-N 0 3 317.292 0.770 20 5 DCBDHN CN(CC(C)(C)CNCc1cnon1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001329290570 949484849 /nfs/dbraw/zinc/48/48/49/949484849.db2.gz BXSXBNJIHQYUDV-GHMZBOCLSA-N 0 3 311.342 0.309 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C2CCOCC2)CC1 ZINC001330662429 950581960 /nfs/dbraw/zinc/58/19/60/950581960.db2.gz VILUIXKBJJEXDJ-UHFFFAOYSA-N 0 3 323.397 0.896 20 5 DCBDHN O=C(C[C@@H]1CNCCO1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001332156790 951500006 /nfs/dbraw/zinc/50/00/06/951500006.db2.gz NSIAELJONDRXSL-GFCCVEGCSA-N 0 3 323.353 0.333 20 5 DCBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1COC2(CNC2)C1 ZINC001342216371 953276870 /nfs/dbraw/zinc/27/68/70/953276870.db2.gz VPSITYLLPKWHMD-GFCCVEGCSA-N 0 3 323.324 0.914 20 5 DCBDHN CN(CCNC(=O)c1ccccc1[N+](=O)[O-])CCOCCO ZINC001471514425 1016591246 /nfs/dbraw/zinc/59/12/46/1016591246.db2.gz JEGYBGNFHNWGML-UHFFFAOYSA-N 0 3 311.338 0.265 20 5 DCBDHN Cc1cc(C(=O)N(C)CCN(C)CCO)c(N)c([N+](=O)[O-])c1 ZINC001454175753 1008976268 /nfs/dbraw/zinc/97/62/68/1008976268.db2.gz ZJOCKMPORNHQFE-UHFFFAOYSA-N 0 3 310.354 0.482 20 5 DCBDHN C[C@H]1[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCN1C ZINC001458613483 1012230350 /nfs/dbraw/zinc/23/03/50/1012230350.db2.gz CGWWTDWWMJCOGS-DTWKUNHWSA-N 0 3 314.367 0.747 20 5 DCBDHN C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000286743425 219141928 /nfs/dbraw/zinc/14/19/28/219141928.db2.gz JEFSIMZIOZOEGQ-VIFPVBQESA-N 0 3 311.342 0.235 20 5 DCBDHN C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000286743425 219141930 /nfs/dbraw/zinc/14/19/30/219141930.db2.gz JEFSIMZIOZOEGQ-VIFPVBQESA-N 0 3 311.342 0.235 20 5 DCBDHN COC[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000174009576 198280175 /nfs/dbraw/zinc/28/01/75/198280175.db2.gz SUUWSVKGJBMRHC-JTQLQIEISA-N 0 3 317.367 0.498 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000153147273 237014317 /nfs/dbraw/zinc/01/43/17/237014317.db2.gz KVJWHMUTLWDNDE-CQSZACIVSA-N 0 3 311.338 0.646 20 5 DCBDHN CCOC(=O)[C@H]1NCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000566091297 291268303 /nfs/dbraw/zinc/26/83/03/291268303.db2.gz TZHJWDYTZCJJJR-KBPBESRZSA-N 0 3 323.349 0.857 20 5 DCBDHN CN1CC[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000454721996 240804436 /nfs/dbraw/zinc/80/44/36/240804436.db2.gz VSZRAASVZUYZFW-PWSUYJOCSA-N 0 3 308.342 0.137 20 5 DCBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000288509266 220188677 /nfs/dbraw/zinc/18/86/77/220188677.db2.gz SPRSBUPQIFHYCA-RYUDHWBXSA-N 0 3 307.354 0.877 20 5 DCBDHN Cc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000572900635 291598037 /nfs/dbraw/zinc/59/80/37/291598037.db2.gz MCCLJHFQGHGNMG-NWDGAFQWSA-N 0 3 318.333 0.287 20 5 DCBDHN COC(=O)COc1ccc(CN(C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000349300764 254279771 /nfs/dbraw/zinc/27/97/71/254279771.db2.gz TXUNPZZTZDDIAJ-SNVBAGLBSA-N 0 3 312.322 0.959 20 5 DCBDHN C[C@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])n[n-]2)C[C@H](C)O1 ZINC000285451943 131169723 /nfs/dbraw/zinc/16/97/23/131169723.db2.gz MSIYEXUFVUBAEO-UWVGGRQHSA-N 0 3 311.342 0.547 20 5 DCBDHN C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(C)C ZINC000025149073 395693235 /nfs/dbraw/zinc/69/32/35/395693235.db2.gz QPMXCOJQAJYQKC-SNVBAGLBSA-N 0 3 318.337 0.855 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]C2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000036265752 395722774 /nfs/dbraw/zinc/72/27/74/395722774.db2.gz HHZPIUWKSIMRPW-UHFFFAOYSA-N 0 3 301.324 0.371 20 5 DCBDHN CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000270743213 395803464 /nfs/dbraw/zinc/80/34/64/395803464.db2.gz AMSLDXANUPJEQV-WDEREUQCSA-N 0 3 313.383 0.295 20 5 DCBDHN CN(C)Cc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000048321622 395813451 /nfs/dbraw/zinc/81/34/51/395813451.db2.gz ZPDDADWTQXSYQN-UHFFFAOYSA-N 0 3 304.310 0.887 20 5 DCBDHN CCN1CCCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000150966297 395976548 /nfs/dbraw/zinc/97/65/48/395976548.db2.gz RFLUASAMBZBOMQ-LBPRGKRZSA-N 0 3 324.385 0.965 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(CCO)Cc2ccccc2)c1 ZINC000075713275 396185413 /nfs/dbraw/zinc/18/54/13/396185413.db2.gz DKSLJUAAQSFBLI-OAHLLOKOSA-N 0 3 320.349 0.647 20 5 DCBDHN CC[C@@](C)(NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182198711 396247607 /nfs/dbraw/zinc/24/76/07/396247607.db2.gz XAVZUNDVDONNGK-IINYFYTJSA-N 0 3 311.338 0.578 20 5 DCBDHN CC(C)N1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000269096820 396385986 /nfs/dbraw/zinc/38/59/86/396385986.db2.gz JREBHIIHTRWXOO-UHFFFAOYSA-N 0 3 324.385 0.917 20 5 DCBDHN Cn1ncc(C2CC2)c1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594732488 396502232 /nfs/dbraw/zinc/50/22/32/396502232.db2.gz LYKJJEQVTMZYNC-GFCCVEGCSA-N 0 3 320.353 0.553 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000594738099 396503169 /nfs/dbraw/zinc/50/31/69/396503169.db2.gz HADMJSUURDLGDB-DGCLKSJQSA-N 0 3 324.768 0.992 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCNC2(CCCCC2)C1 ZINC000594628725 396491569 /nfs/dbraw/zinc/49/15/69/396491569.db2.gz DTHRZHZIHSKRLR-UHFFFAOYSA-N 0 3 307.354 0.926 20 5 DCBDHN CC(C)[N@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000562008400 396650704 /nfs/dbraw/zinc/65/07/04/396650704.db2.gz KKHHYBTZFOVITF-JTQLQIEISA-N 0 3 316.383 0.997 20 5 DCBDHN CC(C)[N@@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000562008400 396650707 /nfs/dbraw/zinc/65/07/07/396650707.db2.gz KKHHYBTZFOVITF-JTQLQIEISA-N 0 3 316.383 0.997 20 5 DCBDHN O=C1C[C@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CN1 ZINC000595374761 396597715 /nfs/dbraw/zinc/59/77/15/396597715.db2.gz JILBDJAIJXQRBO-QWRGUYRKSA-N 0 3 305.338 0.612 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595637910 396641865 /nfs/dbraw/zinc/64/18/65/396641865.db2.gz ZVEDDHSHEBQLLV-MBNYWOFBSA-N 0 3 307.350 0.849 20 5 DCBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596075309 396714492 /nfs/dbraw/zinc/71/44/92/396714492.db2.gz LYHVBXRWYCZREX-UHFFFAOYSA-N 0 3 321.381 0.743 20 5 DCBDHN C[C@H](c1cnn(C)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305858563 396755101 /nfs/dbraw/zinc/75/51/01/396755101.db2.gz WUFKOHLZLSNBEM-MFKMUULPSA-N 0 3 308.342 0.579 20 5 DCBDHN COC(=O)[C@H]1C[C@H](O)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592198312 397123374 /nfs/dbraw/zinc/12/33/74/397123374.db2.gz NMSOAYAYHGYWLJ-JSGCOSHPSA-N 0 3 308.334 0.993 20 5 DCBDHN COC(=O)[C@H]1CNCCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592434835 397178417 /nfs/dbraw/zinc/17/84/17/397178417.db2.gz OLHLXGJBCRNEOT-CYBMUJFWSA-N 0 3 323.349 0.940 20 5 DCBDHN CCN[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602440794 397402795 /nfs/dbraw/zinc/40/27/95/397402795.db2.gz BHMKKOIUYZRUFK-LLVKDONJSA-N 0 3 307.354 0.636 20 5 DCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)CN1CCN(C)CC1 ZINC000604266150 397635422 /nfs/dbraw/zinc/63/54/22/397635422.db2.gz JTJVCRBVKXLOGM-LBPRGKRZSA-N 0 3 323.397 0.547 20 5 DCBDHN C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086471331 158091303 /nfs/dbraw/zinc/09/13/03/158091303.db2.gz ZBDYVYHRKRUHKL-IUCAKERBSA-N 0 3 314.367 0.429 20 5 DCBDHN NC(=O)c1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000316982159 159003490 /nfs/dbraw/zinc/00/34/90/159003490.db2.gz DCBZOQVEZFNNTD-JKOKRWQUSA-N 0 3 305.334 0.896 20 5 DCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000318437072 159006344 /nfs/dbraw/zinc/00/63/44/159006344.db2.gz XTVMZIVLIRETQZ-SNVBAGLBSA-N 0 3 305.338 0.882 20 5 DCBDHN CN(C)CCOCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000318790338 159007092 /nfs/dbraw/zinc/00/70/92/159007092.db2.gz FSCTUVLWISPDTO-UHFFFAOYSA-N 0 3 314.317 0.624 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000367822131 159357875 /nfs/dbraw/zinc/35/78/75/159357875.db2.gz KFWWXKFFVWAOKA-DZGCQCFKSA-N 0 3 324.381 0.901 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000408054605 160024449 /nfs/dbraw/zinc/02/44/49/160024449.db2.gz SWKFCNUJDNSPNT-WDEREUQCSA-N 0 3 307.354 0.885 20 5 DCBDHN CCN1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151264231 287032804 /nfs/dbraw/zinc/03/28/04/287032804.db2.gz BHUKRHPUJRGBLE-UHFFFAOYSA-N 0 3 310.358 0.575 20 5 DCBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)[C@@H](C)CN)cc1[N+](=O)[O-] ZINC000419241329 287276628 /nfs/dbraw/zinc/27/66/28/287276628.db2.gz BVEGJRAHABKNOR-WDEREUQCSA-N 0 3 322.365 0.886 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000268199136 415176287 /nfs/dbraw/zinc/17/62/87/415176287.db2.gz ODXDIJWHMHBZGG-GXFFZTMASA-N 0 3 307.354 0.780 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](N2CCCCC2)C1 ZINC000332154977 415274030 /nfs/dbraw/zinc/27/40/30/415274030.db2.gz RFNVYMDZQZEUNG-NSHDSACASA-N 0 3 308.342 0.273 20 5 DCBDHN COc1ccc(OCCN(CCO)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000289925770 415739978 /nfs/dbraw/zinc/73/99/78/415739978.db2.gz UOIATEBNFXLWEQ-NSHDSACASA-N 0 3 314.338 0.657 20 5 DCBDHN Cc1c(C(=O)NCCN(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000120326124 415763306 /nfs/dbraw/zinc/76/33/06/415763306.db2.gz JCYIFGGSSMQGAZ-UHFFFAOYSA-N 0 3 318.337 0.775 20 5 DCBDHN CO[C@H]1COC[C@@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000290126749 415764978 /nfs/dbraw/zinc/76/49/78/415764978.db2.gz LGIRRPINWNURQT-AAEUAGOBSA-N 0 3 309.322 0.927 20 5 DCBDHN COC[C@](C)(CC(=O)OC)NCCn1ccc([N+](=O)[O-])n1 ZINC000123504964 415841442 /nfs/dbraw/zinc/84/14/42/415841442.db2.gz OTIOACLXGMSUFT-LBPRGKRZSA-N 0 3 300.315 0.349 20 5 DCBDHN CN1CCC(O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000354714248 415817122 /nfs/dbraw/zinc/81/71/22/415817122.db2.gz QYOMUUOLRDFANY-UHFFFAOYSA-N 0 3 311.313 0.920 20 5 DCBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356468592 415927783 /nfs/dbraw/zinc/92/77/83/415927783.db2.gz QYUUMNJLKFEGAF-UHFFFAOYSA-N 0 3 311.342 0.169 20 5 DCBDHN Cc1nn(C)c(N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000301302502 416080224 /nfs/dbraw/zinc/08/02/24/416080224.db2.gz WABUMONXCJCZMQ-UHFFFAOYSA-N 0 3 310.402 0.710 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000358057973 416180926 /nfs/dbraw/zinc/18/09/26/416180926.db2.gz PSERQXXGSZXVSV-AWEZNQCLSA-N 0 3 323.305 0.120 20 5 DCBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180548844 416196892 /nfs/dbraw/zinc/19/68/92/416196892.db2.gz RGJHCDHLQSZRTP-UHFFFAOYSA-N 0 3 323.353 0.413 20 5 DCBDHN COCCN(C)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000263746200 416339041 /nfs/dbraw/zinc/33/90/41/416339041.db2.gz JISHTKCWSLRSQH-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN C[C@@H](CN)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415416900 416342394 /nfs/dbraw/zinc/34/23/94/416342394.db2.gz LLDIVSGHNDRSBZ-ZETCQYMHSA-N 0 3 314.729 0.992 20 5 DCBDHN NC[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415472729 416344775 /nfs/dbraw/zinc/34/47/75/416344775.db2.gz YPSZTLBOALWTDT-SNVBAGLBSA-N 0 3 310.285 0.622 20 5 DCBDHN C[N@@H+]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000416498070 416372758 /nfs/dbraw/zinc/37/27/58/416372758.db2.gz VZJPJHJWUFOMNP-SECBINFHSA-N 0 3 317.342 0.964 20 5 DCBDHN C[N@H+]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000416498070 416372759 /nfs/dbraw/zinc/37/27/59/416372759.db2.gz VZJPJHJWUFOMNP-SECBINFHSA-N 0 3 317.342 0.964 20 5 DCBDHN Cc1c(CNC(=O)C(C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000360529378 416394982 /nfs/dbraw/zinc/39/49/82/416394982.db2.gz QCNAIAIVSIISPH-SECBINFHSA-N 0 3 300.336 0.953 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CNCCC1(F)F ZINC000423698459 416542911 /nfs/dbraw/zinc/54/29/11/416542911.db2.gz NKMWRCUMGLRPBS-SECBINFHSA-N 0 3 300.265 0.904 20 5 DCBDHN CCO[C@H]1COCC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000362027203 416545804 /nfs/dbraw/zinc/54/58/04/416545804.db2.gz NRJSKZYETZWBMT-STQMWFEESA-N 0 3 311.338 0.540 20 5 DCBDHN O=C(CCOC1CNC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423723098 416549519 /nfs/dbraw/zinc/54/95/19/416549519.db2.gz LBOCLEZYSNJYQK-UHFFFAOYSA-N 0 3 305.294 0.788 20 5 DCBDHN Nc1nccc(C(=O)N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000594286390 416558620 /nfs/dbraw/zinc/55/86/20/416558620.db2.gz YGRLIFAJYAAPGY-JTQLQIEISA-N 0 3 305.338 0.786 20 5 DCBDHN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CN2CCN1CCC2 ZINC000535005519 416510315 /nfs/dbraw/zinc/51/03/15/416510315.db2.gz YPIJICWJGVHZBD-AWEZNQCLSA-N 0 3 304.350 0.601 20 5 DCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CNCCO1 ZINC000423983618 416599051 /nfs/dbraw/zinc/59/90/51/416599051.db2.gz ANDRCUGJENFBFU-NSHDSACASA-N 0 3 313.741 0.895 20 5 DCBDHN CCOc1ccc(C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423992068 416601072 /nfs/dbraw/zinc/60/10/72/416601072.db2.gz NSNKTNYCXNLTOG-LLVKDONJSA-N 0 3 309.322 0.712 20 5 DCBDHN COc1ccc(C(=O)Nc2nn(C)c(C)c2CN)cc1[N+](=O)[O-] ZINC000595960367 416574584 /nfs/dbraw/zinc/57/45/84/416574584.db2.gz DFMREINLQPRXRS-UHFFFAOYSA-N 0 3 319.321 1.356 20 5 DCBDHN N[C@@H](Cc1ccccc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423913027 416587013 /nfs/dbraw/zinc/58/70/13/416587013.db2.gz WOGWRZZNIDLDNK-ZDUSSCGKSA-N 0 3 303.322 0.478 20 5 DCBDHN CO[C@@H]1CN[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000368607376 416673829 /nfs/dbraw/zinc/67/38/29/416673829.db2.gz HLUGRRHMKSLKOF-GZMMTYOYSA-N 0 3 305.294 0.787 20 5 DCBDHN Cn1c(C(=O)NCCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000518021375 416838458 /nfs/dbraw/zinc/83/84/58/416838458.db2.gz QOSLJVOAMDXFDY-UHFFFAOYSA-N 0 3 323.397 0.691 20 5 DCBDHN COCC[C@@]1(NCCn2cc([N+](=O)[O-])ccc2=O)CCOC1 ZINC000447381370 416991129 /nfs/dbraw/zinc/99/11/29/416991129.db2.gz GUUFIJBDJLHJHD-CQSZACIVSA-N 0 3 311.338 0.542 20 5 DCBDHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000531044056 417602964 /nfs/dbraw/zinc/60/29/64/417602964.db2.gz KUWCBCNINNDGCF-NSHDSACASA-N 0 3 320.349 0.991 20 5 DCBDHN CC[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N(C)C ZINC000457129574 417690036 /nfs/dbraw/zinc/69/00/36/417690036.db2.gz WMQBODPSHHKXCM-LBPRGKRZSA-N 0 3 321.381 0.979 20 5 DCBDHN C[C@@H](CN)NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419161824 262315375 /nfs/dbraw/zinc/31/53/75/262315375.db2.gz FHNHYLMTRJHLDG-ZETCQYMHSA-N 0 3 314.729 0.328 20 5 DCBDHN CNCCN(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420430562 271368149 /nfs/dbraw/zinc/36/81/49/271368149.db2.gz DKNFAGJVLJILPX-UHFFFAOYSA-N 0 3 301.368 0.618 20 5 DCBDHN CNCCN(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420432410 271368810 /nfs/dbraw/zinc/36/88/10/271368810.db2.gz HAWWDRCHHBFNOV-UHFFFAOYSA-N 0 3 301.368 0.618 20 5 DCBDHN Cc1cc(C(=O)NCC(=O)N2CCCNCC2)ccc1[N+](=O)[O-] ZINC000422715262 271379497 /nfs/dbraw/zinc/37/94/97/271379497.db2.gz SDPNAJXBGMGTDF-UHFFFAOYSA-N 0 3 320.349 0.455 20 5 DCBDHN CO[C@@H]1COC[C@@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459825704 272013913 /nfs/dbraw/zinc/01/39/13/272013913.db2.gz LGIRRPINWNURQT-WCQYABFASA-N 0 3 309.322 0.927 20 5 DCBDHN CS[C@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270795311 278166346 /nfs/dbraw/zinc/16/63/46/278166346.db2.gz VSXOTQLWWSXOHO-IUCAKERBSA-N 0 3 313.383 0.744 20 5 DCBDHN CS[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270795311 278166347 /nfs/dbraw/zinc/16/63/47/278166347.db2.gz VSXOTQLWWSXOHO-IUCAKERBSA-N 0 3 313.383 0.744 20 5 DCBDHN COCC[C@H](CO)NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001656148752 1173846265 /nfs/dbraw/zinc/84/62/65/1173846265.db2.gz HFWOLQCMLVSWNP-SNVBAGLBSA-N 0 3 300.311 0.796 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCC(O)CC1 ZINC000191713189 527502724 /nfs/dbraw/zinc/50/27/24/527502724.db2.gz JEKMVTHDBVPLEE-UHFFFAOYSA-N 0 3 322.365 0.754 20 5 DCBDHN Cc1nnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000983652209 661997797 /nfs/dbraw/zinc/99/77/97/661997797.db2.gz ABELTXYZKASJFK-GWOFURMSSA-N 0 3 309.326 0.028 20 5 DCBDHN NC(=O)C(=O)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000984725130 662290875 /nfs/dbraw/zinc/29/08/75/662290875.db2.gz LGAKKGDJKYZCPX-XWEPSHTISA-N 0 3 312.351 0.126 20 5 DCBDHN Cc1nocc1CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000673735 665914105 /nfs/dbraw/zinc/91/41/05/665914105.db2.gz KDFQMUJMCBVOEV-ZIAGYGMSSA-N 0 3 320.349 0.897 20 5 DCBDHN CC(C)(C)OC(=O)N1CCO[C@@](C)(CNCC[N+](=O)[O-])C1 ZINC000905584190 663567017 /nfs/dbraw/zinc/56/70/17/663567017.db2.gz HCAMTNXCBVLHLR-ZDUSSCGKSA-N 0 3 303.359 0.879 20 5 DCBDHN Cc1c(CN2C(=O)N[C@H](CN(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000924732190 668233106 /nfs/dbraw/zinc/23/31/06/668233106.db2.gz XEIGHZCYQSJYPR-LLVKDONJSA-N 0 3 306.322 0.885 20 5 DCBDHN C[C@@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854231823 670537477 /nfs/dbraw/zinc/53/74/77/670537477.db2.gz JIHOOPODUOSBNJ-MRVPVSSYSA-N 0 3 318.337 0.982 20 5 DCBDHN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103045 670611022 /nfs/dbraw/zinc/61/10/22/670611022.db2.gz MIZWRXQJYIWNLM-GWCFXTLKSA-N 0 3 319.321 0.974 20 5 DCBDHN CC(COC(=O)c1ccc(CNS(C)(=O)=O)o1)[N+](=O)[O-] ZINC000813115089 670613209 /nfs/dbraw/zinc/61/32/09/670613209.db2.gz KLESSBVKAHTDGJ-ZETCQYMHSA-N 0 3 306.296 0.151 20 5 DCBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)CNC2=O)[N+](=O)[O-] ZINC000816091195 670786214 /nfs/dbraw/zinc/78/62/14/670786214.db2.gz NTURYNKDVVFDRY-ZETCQYMHSA-N 0 3 307.262 0.191 20 5 DCBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CNCCO1 ZINC000818011244 670962226 /nfs/dbraw/zinc/96/22/26/670962226.db2.gz CZXNATHKAICMMO-JTQLQIEISA-N 0 3 313.285 0.217 20 5 DCBDHN CC(COC(=O)c1ccc(C(=O)N2CCOCC2)cc1)[N+](=O)[O-] ZINC000860776161 671237349 /nfs/dbraw/zinc/23/73/49/671237349.db2.gz CHWLLUHDJYLRHS-LLVKDONJSA-N 0 3 322.317 0.981 20 5 DCBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)[N+](=O)[O-] ZINC000860776120 671237365 /nfs/dbraw/zinc/23/73/65/671237365.db2.gz BWHMIFPEAQAFTM-NDMJEZRESA-N 0 3 307.306 0.809 20 5 DCBDHN CCOC(=O)C[C@@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074676 672059557 /nfs/dbraw/zinc/05/95/57/672059557.db2.gz HTKFBHPDRFZSQP-AAEUAGOBSA-N 0 3 312.322 0.532 20 5 DCBDHN CNC(=O)c1ccc(N2CCN[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001578562314 1165061904 /nfs/dbraw/zinc/06/19/04/1165061904.db2.gz BVIWEUSVKLPGHQ-NSHDSACASA-N 0 3 308.338 0.115 20 5 DCBDHN C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)C[NH+](C)C ZINC001589876968 1166706577 /nfs/dbraw/zinc/70/65/77/1166706577.db2.gz BAQRLGLTDWZPEH-MRVPVSSYSA-N 0 3 320.357 0.967 20 5 DCBDHN C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)C[NH+](C)C ZINC001589876968 1166706582 /nfs/dbraw/zinc/70/65/82/1166706582.db2.gz BAQRLGLTDWZPEH-MRVPVSSYSA-N 0 3 320.357 0.967 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001593469482 1167857146 /nfs/dbraw/zinc/85/71/46/1167857146.db2.gz SCWOHSIUPUYYBL-YUMQZZPRSA-N 0 3 319.300 0.570 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001593469482 1167857153 /nfs/dbraw/zinc/85/71/53/1167857153.db2.gz SCWOHSIUPUYYBL-YUMQZZPRSA-N 0 3 319.300 0.570 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[NH2+][C@H](CO)C1CC1 ZINC001593482206 1167867316 /nfs/dbraw/zinc/86/73/16/1167867316.db2.gz MXOUBLDRTMEIIF-LLVKDONJSA-N 0 3 304.310 0.635 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[NH2+][C@H](CO)C1CC1 ZINC001593482206 1167867326 /nfs/dbraw/zinc/86/73/26/1167867326.db2.gz MXOUBLDRTMEIIF-LLVKDONJSA-N 0 3 304.310 0.635 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001607077644 1170382139 /nfs/dbraw/zinc/38/21/39/1170382139.db2.gz QDANZVVMSIOMQH-RYUDHWBXSA-N 0 3 315.337 0.426 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001607077644 1170382147 /nfs/dbraw/zinc/38/21/47/1170382147.db2.gz QDANZVVMSIOMQH-RYUDHWBXSA-N 0 3 315.337 0.426 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001635983110 1171719796 /nfs/dbraw/zinc/71/97/96/1171719796.db2.gz XMLMAKALZLTYFP-NWDGAFQWSA-N 0 3 320.349 0.458 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001635993472 1171722086 /nfs/dbraw/zinc/72/20/86/1171722086.db2.gz OWUMUCVXYWACSK-QMMMGPOBSA-N 0 3 316.745 0.483 20 5 DCBDHN CCOC(=O)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001654956917 1173813763 /nfs/dbraw/zinc/81/37/63/1173813763.db2.gz XUVJQOMPMAWMHH-ZYHUDNBSSA-N 0 3 312.326 0.037 20 5 DCBDHN O=[N+]([O-])c1cccc(CNC[C@@]2(CO)COC[C@@H]3CCCN32)c1 ZINC001658175843 1173920639 /nfs/dbraw/zinc/92/06/39/1173920639.db2.gz SAHROTHNOUOBEX-JKSUJKDBSA-N 0 3 321.377 0.910 20 5 DCBDHN COc1cccc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001733242717 1186198269 /nfs/dbraw/zinc/19/82/69/1186198269.db2.gz JDSPIZLCPRHAEK-VXGBXAGGSA-N 0 3 320.349 0.494 20 5 DCBDHN NCc1nn(-c2ncc([N+](=O)[O-])cc2C(N)=O)c2ccccc12 ZINC001167695296 747746170 /nfs/dbraw/zinc/74/61/70/747746170.db2.gz FVHZJYHEZPBRMG-UHFFFAOYSA-N 0 3 312.289 0.886 20 5 DCBDHN Cn1ncc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1N ZINC001126087168 748214457 /nfs/dbraw/zinc/21/44/57/748214457.db2.gz WMMFYBDYHUWSFM-UHFFFAOYSA-N 0 3 318.337 0.430 20 5 DCBDHN Cn1nccc1CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126393612 748692087 /nfs/dbraw/zinc/69/20/87/748692087.db2.gz ZAFKLRDXWJQYOU-UHFFFAOYSA-N 0 3 317.349 0.777 20 5 DCBDHN Cn1cnc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001126677871 749596155 /nfs/dbraw/zinc/59/61/55/749596155.db2.gz GIIMWIQDRJJLJF-UHFFFAOYSA-N 0 3 304.310 0.243 20 5 DCBDHN O=C(NC[C@H]1C[C@@H](NCc2cscn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084394 759694464 /nfs/dbraw/zinc/69/44/64/759694464.db2.gz PAXHUPWPJOJPLB-RBLKWDMZSA-N 0 3 310.379 0.793 20 5 DCBDHN CN(C)C(=O)c1nn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169018373 760559468 /nfs/dbraw/zinc/55/94/68/760559468.db2.gz AVVXYEHLNMRPIC-GHMZBOCLSA-N 0 3 321.381 0.849 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])cc(N[C@H](C)[C@H]2CNCCO2)n1 ZINC001170566190 763846198 /nfs/dbraw/zinc/84/61/98/763846198.db2.gz XJFAWOFEQCXYJX-LDYMZIIASA-N 0 3 310.310 0.565 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cccnn1 ZINC001135637308 766018444 /nfs/dbraw/zinc/01/84/44/766018444.db2.gz JLQGELVQWCOFMO-UHFFFAOYSA-N 0 3 301.306 0.904 20 5 DCBDHN O=C(CN[C@H](CO)[C@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC001171144955 766812287 /nfs/dbraw/zinc/81/22/87/766812287.db2.gz SLOBRDATFCSSOZ-WCQYABFASA-N 0 3 323.349 0.910 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OC2CN(CC3CC3)C2)CC1 ZINC001093536932 768611135 /nfs/dbraw/zinc/61/11/35/768611135.db2.gz YMISMFVAYBPNAU-HUUCEWRRSA-N 0 3 323.393 0.753 20 5 DCBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C(=O)NCC(N)=O ZINC001173224149 769566108 /nfs/dbraw/zinc/56/61/08/769566108.db2.gz MLPQOXJFSFOHNV-UWVGGRQHSA-N 0 3 308.338 0.105 20 5 DCBDHN Cc1c[nH]nc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001157669652 771651441 /nfs/dbraw/zinc/65/14/41/771651441.db2.gz BTIHVHABWLMAOH-UHFFFAOYSA-N 0 3 321.341 0.270 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1NC(=N)N1CCN(C)CC1 ZINC001157914894 771692547 /nfs/dbraw/zinc/69/25/47/771692547.db2.gz OKPMRJBYWGBMHH-UHFFFAOYSA-N 0 3 322.325 0.370 20 5 DCBDHN COc1ncnc(N2CCO[C@@H](CN3CCCC3)C2)c1[N+](=O)[O-] ZINC001158309741 771757284 /nfs/dbraw/zinc/75/72/84/771757284.db2.gz SFBCCILTPYGXDX-NSHDSACASA-N 0 3 323.353 0.694 20 5 DCBDHN COC(=O)c1cnc(N[C@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001159499664 771920123 /nfs/dbraw/zinc/92/01/23/771920123.db2.gz UORMEALZGIACEJ-KCJUWKMLSA-N 0 3 310.310 0.565 20 5 DCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2cnc3c2CNCC3)n1 ZINC001164317200 772645340 /nfs/dbraw/zinc/64/53/40/772645340.db2.gz OOCXPKZLBDXYJW-UHFFFAOYSA-N 0 3 317.309 0.483 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)Cc1cnoc1 ZINC001164459597 772662950 /nfs/dbraw/zinc/66/29/50/772662950.db2.gz ZFSSJBDJSIYENX-UHFFFAOYSA-N 0 3 322.325 0.155 20 5 DCBDHN COC1(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CNC1 ZINC001247768136 945574789 /nfs/dbraw/zinc/57/47/89/945574789.db2.gz YKJHVRYGYKXWGW-UHFFFAOYSA-N 0 3 309.257 0.710 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC001325707207 947889804 /nfs/dbraw/zinc/88/98/04/947889804.db2.gz KOMWIXYWSIVTJR-LLVKDONJSA-N 0 3 324.385 0.084 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CN2CCC1CC2 ZINC001336082949 952641951 /nfs/dbraw/zinc/64/19/51/952641951.db2.gz XIWZYOMVNAPJTM-LBPRGKRZSA-N 0 3 307.354 0.700 20 5 DCBDHN COc1ccc(CNC(=O)[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC001343179397 953327026 /nfs/dbraw/zinc/32/70/26/953327026.db2.gz IWNCIDMNGFENRQ-GFCCVEGCSA-N 0 3 308.338 0.123 20 5 DCBDHN CN1CCNC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001357253053 957239510 /nfs/dbraw/zinc/23/95/10/957239510.db2.gz DSEJXGOZIFVHHD-OAHLLOKOSA-N 0 3 320.393 0.937 20 5 DCBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001463747242 1013162416 /nfs/dbraw/zinc/16/24/16/1013162416.db2.gz MOOYORVJTGGWEV-IUCAKERBSA-N 0 3 317.371 0.041 20 5 DCBDHN Cc1ccnc(CNCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001498546868 1019215768 /nfs/dbraw/zinc/21/57/68/1019215768.db2.gz ZTPQQDPCUFGQDL-VXGBXAGGSA-N 0 3 307.354 0.388 20 5 DCBDHN CN(C)CCN1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180892315 199224093 /nfs/dbraw/zinc/22/40/93/199224093.db2.gz YORDMGALCFMMQF-UHFFFAOYSA-N 0 3 321.381 0.496 20 5 DCBDHN CC(=O)NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159779671 291236582 /nfs/dbraw/zinc/23/65/82/291236582.db2.gz AJMNZEWNAXKGDK-ZDUSSCGKSA-N 0 3 322.365 0.605 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN[C@@H](C)C1 ZINC000420329951 240021571 /nfs/dbraw/zinc/02/15/71/240021571.db2.gz ASSQKWXTPHIKNX-JTQLQIEISA-N 0 3 308.338 0.836 20 5 DCBDHN COc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1O ZINC000573677094 291647912 /nfs/dbraw/zinc/64/79/12/291647912.db2.gz SIFMSKXYDKENOF-GFCCVEGCSA-N 0 3 322.321 0.656 20 5 DCBDHN CNC(=O)[C@H]1CCC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000348188810 254225777 /nfs/dbraw/zinc/22/57/77/254225777.db2.gz VZSKCAKINHHDHF-RYUDHWBXSA-N 0 3 308.338 0.261 20 5 DCBDHN CN(CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000351497448 254339759 /nfs/dbraw/zinc/33/97/59/254339759.db2.gz WJKMFPHYZPHPPZ-UHFFFAOYSA-N 0 3 324.312 0.883 20 5 DCBDHN C[C@@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000330903328 533605674 /nfs/dbraw/zinc/60/56/74/533605674.db2.gz LPDAHGZWZLJISH-MNOVXSKESA-N 0 3 308.338 0.355 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292245041 131635726 /nfs/dbraw/zinc/63/57/26/131635726.db2.gz OMECNYPGPCEFGT-CQSZACIVSA-N 0 3 307.354 0.654 20 5 DCBDHN O=C(CNC1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000238158221 395922516 /nfs/dbraw/zinc/92/25/16/395922516.db2.gz KTIVZAZJFSBTSP-UHFFFAOYSA-N 0 3 304.350 0.995 20 5 DCBDHN C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@H]1C ZINC000058231461 395951514 /nfs/dbraw/zinc/95/15/14/395951514.db2.gz JJQMFCIGMRRLEM-MNOVXSKESA-N 0 3 310.358 0.565 20 5 DCBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000246578288 395953445 /nfs/dbraw/zinc/95/34/45/395953445.db2.gz CGIIPCOTCIJTRW-NWDGAFQWSA-N 0 3 307.354 0.734 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN3CCCC[C@H]3C2)c1 ZINC000248335019 395984163 /nfs/dbraw/zinc/98/41/63/395984163.db2.gz GJXIXYZNWXHJFI-GXTWGEPZSA-N 0 3 309.370 0.322 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CO)c2ccccc2)c1 ZINC000170846602 396098692 /nfs/dbraw/zinc/09/86/92/396098692.db2.gz IRSUXFVOQQVUNL-ZIAGYGMSSA-N 0 3 306.322 0.475 20 5 DCBDHN COc1ccc(S(=O)(=O)N[C@@H]2CCCNC2)cc1[N+](=O)[O-] ZINC000071397238 396113754 /nfs/dbraw/zinc/11/37/54/396113754.db2.gz GGIRRXUTLDJHQB-SECBINFHSA-N 0 3 315.351 0.634 20 5 DCBDHN COCCN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000264188753 396260781 /nfs/dbraw/zinc/26/07/81/396260781.db2.gz NXCYGJJDJOERQH-UHFFFAOYSA-N 0 3 313.358 0.136 20 5 DCBDHN COC(=O)[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000280708661 396215699 /nfs/dbraw/zinc/21/56/99/396215699.db2.gz JATRATXZLTVHSA-ZYHUDNBSSA-N 0 3 309.322 0.497 20 5 DCBDHN CN1CCC(O)(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000080891137 396287210 /nfs/dbraw/zinc/28/72/10/396287210.db2.gz MDZYFRYJQUGDIX-UHFFFAOYSA-N 0 3 322.365 0.580 20 5 DCBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCN1CCC2 ZINC000372361603 396511148 /nfs/dbraw/zinc/51/11/48/396511148.db2.gz RJWNHDZUUYUWCJ-HNNXBMFYSA-N 0 3 318.377 0.643 20 5 DCBDHN O=[N+]([O-])c1cc([O-])ccc1-n1cc(CN2CC[NH2+]CC2)nn1 ZINC000594651311 396493766 /nfs/dbraw/zinc/49/37/66/396493766.db2.gz BOECCQXPUZPPRT-UHFFFAOYSA-N 0 3 304.310 0.286 20 5 DCBDHN COCC1(NCCn2cc([N+](=O)[O-])ccc2=O)CCOCC1 ZINC000595501023 396618118 /nfs/dbraw/zinc/61/81/18/396618118.db2.gz QUEGFKZGBGUPOX-UHFFFAOYSA-N 0 3 311.338 0.542 20 5 DCBDHN O=C1CCCC12CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000595806985 396664999 /nfs/dbraw/zinc/66/49/99/396664999.db2.gz NYGQURFQHUALRG-CYBMUJFWSA-N 0 3 322.365 0.987 20 5 DCBDHN C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCN1CC(C)(C)O ZINC000596222836 396736363 /nfs/dbraw/zinc/73/63/63/396736363.db2.gz NMUPFRHZVKYTEL-JTQLQIEISA-N 0 3 309.370 0.853 20 5 DCBDHN COc1cc(C(=O)N[C@@H](CO)CN(C)C)cc([N+](=O)[O-])c1C ZINC000590369818 396762603 /nfs/dbraw/zinc/76/26/03/396762603.db2.gz OCRZRENANCHIGE-LLVKDONJSA-N 0 3 311.338 0.564 20 5 DCBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCCN1 ZINC000600679091 396915683 /nfs/dbraw/zinc/91/56/83/396915683.db2.gz ZIIDPZGBCBGABM-WCQYABFASA-N 0 3 322.365 0.890 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CNCCC1(F)F ZINC000591686719 396977052 /nfs/dbraw/zinc/97/70/52/396977052.db2.gz RPOLLSGDAUPHMK-VIFPVBQESA-N 0 3 303.269 0.152 20 5 DCBDHN CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](CN)C1 ZINC000598913884 397306721 /nfs/dbraw/zinc/30/67/21/397306721.db2.gz RHMVWSKFPOQNQE-JTQLQIEISA-N 0 3 311.317 0.841 20 5 DCBDHN Nc1nc(N)nc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000599067088 397330099 /nfs/dbraw/zinc/33/00/99/397330099.db2.gz ZZJSRSBFHLOBJH-UHFFFAOYSA-N 0 3 301.310 0.774 20 5 DCBDHN O=C1C[C@@H](NC2CCOCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000593921262 397480814 /nfs/dbraw/zinc/48/08/14/397480814.db2.gz UAUJJGUOSFJLMW-CYBMUJFWSA-N 0 3 319.317 0.995 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594198151 397512278 /nfs/dbraw/zinc/51/22/78/397512278.db2.gz DOJFLKYZCITRMN-NEPJUHHUSA-N 0 3 307.354 0.924 20 5 DCBDHN C[C@@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000579454773 397568942 /nfs/dbraw/zinc/56/89/42/397568942.db2.gz YRDRJFZBKNNXLZ-IUCAKERBSA-N 0 3 300.340 0.409 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(N2CCOCC2)CC1 ZINC000602899965 397517517 /nfs/dbraw/zinc/51/75/17/397517517.db2.gz VMLKALCPPGQMBS-UHFFFAOYSA-N 0 3 323.397 0.896 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](n3ccnc3)C2)c1 ZINC000610336520 397814697 /nfs/dbraw/zinc/81/46/97/397814697.db2.gz VCSOJKQIBAZLQL-JSGCOSHPSA-N 0 3 320.353 0.686 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000610336522 397814991 /nfs/dbraw/zinc/81/49/91/397814991.db2.gz VCSOJKQIBAZLQL-TZMCWYRMSA-N 0 3 320.353 0.686 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(C3CCC3)CC2)c1 ZINC000610369605 397817096 /nfs/dbraw/zinc/81/70/96/397817096.db2.gz ZPVZVDVHKAQJQP-AWEZNQCLSA-N 0 3 309.370 0.322 20 5 DCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@H]2CCOC2)c1 ZINC000088694842 158094929 /nfs/dbraw/zinc/09/49/29/158094929.db2.gz DGBLPDCSNHVPCK-JTQLQIEISA-N 0 3 315.351 0.252 20 5 DCBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)C1 ZINC000319399169 159008005 /nfs/dbraw/zinc/00/80/05/159008005.db2.gz DXZHCAWJEUTYRR-AWEZNQCLSA-N 0 3 305.338 0.740 20 5 DCBDHN CSC1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN(C)CC1 ZINC000359270133 159258125 /nfs/dbraw/zinc/25/81/25/159258125.db2.gz KFNWHGUQLVCRJF-UHFFFAOYSA-N 0 3 313.383 0.875 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](n3cccn3)C2)c1 ZINC000362888527 159272950 /nfs/dbraw/zinc/27/29/50/159272950.db2.gz JVCOKFANGXNWEL-GXTWGEPZSA-N 0 3 320.353 0.686 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000268199133 415174598 /nfs/dbraw/zinc/17/45/98/415174598.db2.gz ODXDIJWHMHBZGG-GWCFXTLKSA-N 0 3 307.354 0.780 20 5 DCBDHN CCC[C@@]1(CO)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344127287 415845645 /nfs/dbraw/zinc/84/56/45/415845645.db2.gz JMKGCHUECBDCEW-ZIAGYGMSSA-N 0 3 312.370 0.637 20 5 DCBDHN Cc1c(CC(=O)NC[C@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000153111692 415975661 /nfs/dbraw/zinc/97/56/61/415975661.db2.gz RKIZGLTUOJZIQU-HNNXBMFYSA-N 0 3 309.366 0.875 20 5 DCBDHN COC(=O)CNC(=O)c1ccc(NCCN(C)C)c([N+](=O)[O-])c1 ZINC000298202162 415995617 /nfs/dbraw/zinc/99/56/17/415995617.db2.gz WEERFTARTWJAMX-UHFFFAOYSA-N 0 3 324.337 0.471 20 5 DCBDHN COC[C@]1(C(=O)OC)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296505052 415931350 /nfs/dbraw/zinc/93/13/50/415931350.db2.gz ZLRBIMFNODQPNE-ZDUSSCGKSA-N 0 3 312.326 0.303 20 5 DCBDHN CCN1CCN([C@H](C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000345433400 416095722 /nfs/dbraw/zinc/09/57/22/416095722.db2.gz FVUUYQZYOLZJPM-SNVBAGLBSA-N 0 3 310.358 0.074 20 5 DCBDHN CCN1CCN([C@H](C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000345433400 416095726 /nfs/dbraw/zinc/09/57/26/416095726.db2.gz FVUUYQZYOLZJPM-SNVBAGLBSA-N 0 3 310.358 0.074 20 5 DCBDHN NC(=O)NC(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345664734 416130186 /nfs/dbraw/zinc/13/01/86/416130186.db2.gz JWYOTQVANFWMHP-SECBINFHSA-N 0 3 322.325 0.061 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OCCO)CC1 ZINC000341754906 416231377 /nfs/dbraw/zinc/23/13/77/416231377.db2.gz NPOFFRKRMXEITR-UHFFFAOYSA-N 0 3 311.338 0.230 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000415419479 416342200 /nfs/dbraw/zinc/34/22/00/416342200.db2.gz QHLIPFIVURSAFX-VIFPVBQESA-N 0 3 308.338 0.956 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCCN(C[C@@H]3CCCO3)CC2)n1 ZINC000610485195 416656530 /nfs/dbraw/zinc/65/65/30/416656530.db2.gz DNPNAVMJCWBRCZ-AWEZNQCLSA-N 0 3 323.397 0.978 20 5 DCBDHN CCc1n[nH]c(C(=O)N2CCN(c3ncc[nH]3)CC2)c1[N+](=O)[O-] ZINC000565900817 417030739 /nfs/dbraw/zinc/03/07/39/417030739.db2.gz AHEUMXCSZPCXHJ-UHFFFAOYSA-N 0 3 319.325 0.566 20 5 DCBDHN CCc1n[n-]c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000565900817 417030749 /nfs/dbraw/zinc/03/07/49/417030749.db2.gz AHEUMXCSZPCXHJ-UHFFFAOYSA-N 0 3 319.325 0.566 20 5 DCBDHN CC[C@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601225 417140889 /nfs/dbraw/zinc/14/08/89/417140889.db2.gz VVGUCVSBAJNUOG-JTQLQIEISA-N 0 3 316.383 0.998 20 5 DCBDHN CC[C@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601225 417140896 /nfs/dbraw/zinc/14/08/96/417140896.db2.gz VVGUCVSBAJNUOG-JTQLQIEISA-N 0 3 316.383 0.998 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(C)(C)CN ZINC000415387628 417378619 /nfs/dbraw/zinc/37/86/19/417378619.db2.gz QTMGIBXLMVPQKL-UHFFFAOYSA-N 0 3 324.337 0.786 20 5 DCBDHN CNc1nccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000574582361 417486875 /nfs/dbraw/zinc/48/68/75/417486875.db2.gz GVKNGTHMBQFYPC-ZJUUUORDSA-N 0 3 307.354 1.244 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000576433886 417609150 /nfs/dbraw/zinc/60/91/50/417609150.db2.gz MWCMLUXWVDSEDN-RYUDHWBXSA-N 0 3 319.321 0.218 20 5 DCBDHN C[C@@H](NC(=O)NC[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000417128780 262246964 /nfs/dbraw/zinc/24/69/64/262246964.db2.gz JGBAZLFDOWGVIX-ZWNOBZJWSA-N 0 3 308.338 0.943 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N1CCC[C@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000418773344 262288848 /nfs/dbraw/zinc/28/88/48/262288848.db2.gz BXYMSEYCEBATKU-MFKMUULPSA-N 0 3 320.349 0.722 20 5 DCBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)CN)cc1[N+](=O)[O-] ZINC000419239517 262322618 /nfs/dbraw/zinc/32/26/18/262322618.db2.gz ALQWYCBMBPQSPE-ZJUUUORDSA-N 0 3 308.338 0.544 20 5 DCBDHN C[C@H]1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000490320756 272073424 /nfs/dbraw/zinc/07/34/24/272073424.db2.gz RXXAAJJTIFWIPD-QWRGUYRKSA-N 0 3 310.358 0.573 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000492602030 272137023 /nfs/dbraw/zinc/13/70/23/272137023.db2.gz HAGKCAMBGIEBME-LQYUOIDQSA-N 0 3 305.334 0.791 20 5 DCBDHN CC(C)CN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000340539711 277379387 /nfs/dbraw/zinc/37/93/87/277379387.db2.gz TZEISSCVDVCAFD-UHFFFAOYSA-N 0 3 324.381 0.803 20 5 DCBDHN COc1ccc(CC(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000545860967 288003102 /nfs/dbraw/zinc/00/31/02/288003102.db2.gz DXLWVQDWPMDLPO-OAHLLOKOSA-N 0 3 323.349 0.329 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000545885468 288004190 /nfs/dbraw/zinc/00/41/90/288004190.db2.gz WLYMKZHVWOIRHJ-AWEZNQCLSA-N 0 3 308.338 0.461 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CO)CC(F)F ZINC000575181019 333231677 /nfs/dbraw/zinc/23/16/77/333231677.db2.gz MAGUTVKYCYFWFY-ZJUUUORDSA-N 0 3 320.292 0.940 20 5 DCBDHN CCOc1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000583704977 337092488 /nfs/dbraw/zinc/09/24/88/337092488.db2.gz XMBOXLMUPOVANM-RYUDHWBXSA-N 0 3 320.349 0.742 20 5 DCBDHN CCn1cc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000583020353 337225745 /nfs/dbraw/zinc/22/57/45/337225745.db2.gz WBMPGPJKXOIJIL-ZWNOBZJWSA-N 0 3 308.342 0.719 20 5 DCBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](CN)C1 ZINC000576702206 341859155 /nfs/dbraw/zinc/85/91/55/341859155.db2.gz OLLXQNZGLWFHAJ-SNVBAGLBSA-N 0 3 312.757 0.963 20 5 DCBDHN CN1CCC(O)(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000267398980 523781555 /nfs/dbraw/zinc/78/15/55/523781555.db2.gz JCFSJNAHLLQRDE-UHFFFAOYSA-N 0 3 308.338 0.364 20 5 DCBDHN CC(C)[C@@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169186905 528498036 /nfs/dbraw/zinc/49/80/36/528498036.db2.gz YMNJARHRCVEBMH-GXFFZTMASA-N 0 3 307.354 0.986 20 5 DCBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000820778066 606803818 /nfs/dbraw/zinc/80/38/18/606803818.db2.gz UZKAZMJMXDZCBR-KCJUWKMLSA-N 0 3 318.341 0.556 20 5 DCBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1[NH+](C)C ZINC000820778066 606803820 /nfs/dbraw/zinc/80/38/20/606803820.db2.gz UZKAZMJMXDZCBR-KCJUWKMLSA-N 0 3 318.341 0.556 20 5 DCBDHN O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823650770 607230050 /nfs/dbraw/zinc/23/00/50/607230050.db2.gz ADMPTEHJBBSSEA-UHFFFAOYSA-N 0 3 314.309 0.761 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CCN(CCF)CC2)C1 ZINC000949092426 661200805 /nfs/dbraw/zinc/20/08/05/661200805.db2.gz ZPGYDPDZJBOWPT-VXGBXAGGSA-N 0 3 315.345 0.315 20 5 DCBDHN CC(COC(=O)CS(=O)(=O)NC1CCC(C)CC1)[N+](=O)[O-] ZINC000813105685 658718192 /nfs/dbraw/zinc/71/81/92/658718192.db2.gz RRIXWPVOVYVQMZ-YVNMAJEFSA-N 0 3 322.383 0.693 20 5 DCBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000725895544 659260574 /nfs/dbraw/zinc/26/05/74/659260574.db2.gz HACDOXUYLVYAGB-NXEZZACHSA-N 0 3 309.326 0.219 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](C2OCCO2)C1 ZINC000179208281 662827569 /nfs/dbraw/zinc/82/75/69/662827569.db2.gz MAYHGJVGWRUAFS-LBPRGKRZSA-N 0 3 323.349 0.841 20 5 DCBDHN CN(CCO)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000899730206 663183461 /nfs/dbraw/zinc/18/34/61/663183461.db2.gz VYARYFYRUZFKBL-UHFFFAOYSA-N 0 3 301.730 0.902 20 5 DCBDHN CSc1cccc(C(=O)NCCN(C)CCO)c1[N+](=O)[O-] ZINC000899737170 663184820 /nfs/dbraw/zinc/18/48/20/663184820.db2.gz BGNXEONMTJXUGR-UHFFFAOYSA-N 0 3 313.379 0.971 20 5 DCBDHN Cc1ccc(CNC[C@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000922540280 666479555 /nfs/dbraw/zinc/47/95/55/666479555.db2.gz QOGCLNISOJEOOU-HNNXBMFYSA-N 0 3 309.366 0.686 20 5 DCBDHN Cc1noc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034642881 667088999 /nfs/dbraw/zinc/08/89/99/667088999.db2.gz HFVOMZWCVRVLAO-DDHJBXDOSA-N 0 3 323.353 0.560 20 5 DCBDHN Cc1cc(F)cc(C(=O)NC[C@@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000762715002 668372892 /nfs/dbraw/zinc/37/28/92/668372892.db2.gz DUYILVSWBMXBLE-AWEZNQCLSA-N 0 3 311.313 0.839 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000934572507 669616525 /nfs/dbraw/zinc/61/65/25/669616525.db2.gz AXSHXDZDADUSHS-BXKDBHETSA-N 0 3 307.354 0.699 20 5 DCBDHN CCNS(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110543 670611712 /nfs/dbraw/zinc/61/17/12/670611712.db2.gz CZBKMDMSPASSPY-VIFPVBQESA-N 0 3 316.335 0.807 20 5 DCBDHN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108926 670612002 /nfs/dbraw/zinc/61/20/02/670612002.db2.gz CGRKYAAYNZYBEI-MRVPVSSYSA-N 0 3 319.339 0.523 20 5 DCBDHN CC(COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)[N+](=O)[O-] ZINC000813114140 670612681 /nfs/dbraw/zinc/61/26/81/670612681.db2.gz MVIWZWRBKWFTEJ-QMMMGPOBSA-N 0 3 307.262 0.311 20 5 DCBDHN CN1CCN(C)[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819048741 671089386 /nfs/dbraw/zinc/08/93/86/671089386.db2.gz ASZYIANIKOJNMZ-HUUCEWRRSA-N 0 3 308.382 0.464 20 5 DCBDHN CN1C(=O)CC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819384397 671115732 /nfs/dbraw/zinc/11/57/32/671115732.db2.gz YFSQVHWVTJQUMS-VXGBXAGGSA-N 0 3 307.306 0.365 20 5 DCBDHN CC[C@H]1[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001578241562 1164961883 /nfs/dbraw/zinc/96/18/83/1164961883.db2.gz BNXQVTDMAUVVNC-ZJUUUORDSA-N 0 3 300.340 0.409 20 5 DCBDHN Cc1cc(OS(=O)(=O)C[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001579639840 1165368643 /nfs/dbraw/zinc/36/86/43/1165368643.db2.gz VEWDZSTZSXTISH-NSHDSACASA-N 0 3 316.335 0.600 20 5 DCBDHN COCC[N@H+](C)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591421031 1167279327 /nfs/dbraw/zinc/27/93/27/1167279327.db2.gz XFBOXDZXUWXDHW-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN COCC[N@@H+](C)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591421031 1167279332 /nfs/dbraw/zinc/27/93/32/1167279332.db2.gz XFBOXDZXUWXDHW-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C[NH+](C)C ZINC001609113874 1170814315 /nfs/dbraw/zinc/81/43/15/1170814315.db2.gz KNSWPNRTGNUTSA-MRVPVSSYSA-N 0 3 306.330 0.780 20 5 DCBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C[NH+](C)C ZINC001609113874 1170814316 /nfs/dbraw/zinc/81/43/16/1170814316.db2.gz KNSWPNRTGNUTSA-MRVPVSSYSA-N 0 3 306.330 0.780 20 5 DCBDHN CNc1nccc(C(=O)N(C)CCN(C)CCO)c1[N+](=O)[O-] ZINC001630593867 1171574158 /nfs/dbraw/zinc/57/41/58/1171574158.db2.gz PMKPWZBKSYVCMM-UHFFFAOYSA-N 0 3 311.342 0.028 20 5 DCBDHN C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC001633829584 1171654618 /nfs/dbraw/zinc/65/46/18/1171654618.db2.gz MXFOJNRFAWXLSH-NSHDSACASA-N 0 3 320.349 0.523 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2C[C@@]3(CO)CCCC[C@@]3(CO)C2)n1 ZINC001654996623 1173813833 /nfs/dbraw/zinc/81/38/33/1173813833.db2.gz GTXDBVALAOZLEL-GASCZTMLSA-N 0 3 324.381 0.638 20 5 DCBDHN CN(CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1)CCOCCO ZINC001655793496 1173827175 /nfs/dbraw/zinc/82/71/75/1173827175.db2.gz RQWWRLVLJPBBDI-UHFFFAOYSA-N 0 3 323.353 0.824 20 5 DCBDHN CONC(=O)C1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001660045641 1173937909 /nfs/dbraw/zinc/93/79/09/1173937909.db2.gz HGIFQLYGNHLTDK-UHFFFAOYSA-N 0 3 311.342 0.489 20 5 DCBDHN COCc1n[nH]c(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC001660215444 1173961075 /nfs/dbraw/zinc/96/10/75/1173961075.db2.gz SZMIEOLLWGEHNM-UHFFFAOYSA-N 0 3 307.314 0.549 20 5 DCBDHN CN(CCNCc1cc(C2CC2)no1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001714703151 1181492338 /nfs/dbraw/zinc/49/23/38/1181492338.db2.gz FNVWJTJNTBQMBA-DGCLKSJQSA-N 0 3 308.338 0.765 20 5 DCBDHN Cc1c[nH]c(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)n1 ZINC001167956688 748743612 /nfs/dbraw/zinc/74/36/12/748743612.db2.gz IHPRBWBCMXRYPB-UHFFFAOYSA-N 0 3 321.341 0.270 20 5 DCBDHN Cc1nc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC001086084053 759692986 /nfs/dbraw/zinc/69/29/86/759692986.db2.gz ANGBVHWLLGUCQR-LYIQGSDWSA-N 0 3 308.338 0.633 20 5 DCBDHN Cc1conc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363430 760100703 /nfs/dbraw/zinc/10/07/03/760100703.db2.gz SZHFDIYWKZHBPR-PRULPYPASA-N 0 3 308.338 0.633 20 5 DCBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N(C)S(=O)(=O)CCN)n1 ZINC001156237081 760524594 /nfs/dbraw/zinc/52/45/94/760524594.db2.gz WHQPKYXAAQMISQ-UHFFFAOYSA-N 0 3 308.747 0.676 20 5 DCBDHN O=C(CCn1cncn1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123659745 768040959 /nfs/dbraw/zinc/04/09/59/768040959.db2.gz PMLJEESWBRKDHX-UHFFFAOYSA-N 0 3 318.337 0.482 20 5 DCBDHN COC(=O)NCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124172162 768158286 /nfs/dbraw/zinc/15/82/86/768158286.db2.gz GJSZUELIWFWJHR-UHFFFAOYSA-N 0 3 310.310 0.157 20 5 DCBDHN CN1CCN(CCCCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001136188193 766257644 /nfs/dbraw/zinc/25/76/44/766257644.db2.gz ZEHBSDWGLJRMPB-UHFFFAOYSA-N 0 3 314.430 0.966 20 5 DCBDHN Cc1nn(C)c(N2CC[C@@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001120071352 766894756 /nfs/dbraw/zinc/89/47/56/766894756.db2.gz SQKVQBIKQDDWGF-VXGBXAGGSA-N 0 3 309.370 0.672 20 5 DCBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001122182444 767734342 /nfs/dbraw/zinc/73/43/42/767734342.db2.gz VJHHAEOVCVCCEN-GARJFASQSA-N 0 3 308.338 0.354 20 5 DCBDHN C[NH+](C)CCC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001093193098 768483067 /nfs/dbraw/zinc/48/30/67/768483067.db2.gz AACDWVOCZAUELO-UHFFFAOYSA-N 0 3 323.353 0.296 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)C[C@@H](O)CO)c1F ZINC001173186285 769556549 /nfs/dbraw/zinc/55/65/49/769556549.db2.gz PKWQHLSGVFTHAQ-VHSXEESVSA-N 0 3 316.329 0.959 20 5 DCBDHN O=C(NCCCNCc1nc(C2CCC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767437 771665840 /nfs/dbraw/zinc/66/58/40/771665840.db2.gz MUNKFRSQMXUQTM-GHMZBOCLSA-N 0 3 323.353 0.598 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccc(Cl)nc2[n-]1 ZINC001226590355 775841645 /nfs/dbraw/zinc/84/16/45/775841645.db2.gz UJQJZZCWLWVMHL-MRVPVSSYSA-N 0 3 313.765 0.974 20 5 DCBDHN O=C(NCCN(Cc1ccccn1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267325889 939425191 /nfs/dbraw/zinc/42/51/91/939425191.db2.gz NXCPHNSMZSEYJX-ZIAGYGMSSA-N 0 3 304.350 0.827 20 5 DCBDHN Cc1nc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])sc1C ZINC001267371702 939438485 /nfs/dbraw/zinc/43/84/85/939438485.db2.gz RHKFAMXCKYVTLS-GHMZBOCLSA-N 0 3 312.395 0.973 20 5 DCBDHN CC(C)c1nnc(CNCC=CCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001268541435 940224636 /nfs/dbraw/zinc/22/46/36/940224636.db2.gz JMTAALBSIXKCJB-YIZUVKHSSA-N 0 3 322.369 0.355 20 5 DCBDHN COc1cccc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001483008090 941773333 /nfs/dbraw/zinc/77/33/33/941773333.db2.gz RYSYDXZOIZXLPG-XCUNLHGCSA-N 0 3 320.349 0.517 20 5 DCBDHN COC(=O)[C@@H]1CNCCN1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246862900 945508424 /nfs/dbraw/zinc/50/84/24/945508424.db2.gz FDYQWFCELGUZKS-FZMZJTMJSA-N 0 3 307.350 0.973 20 5 DCBDHN CC(C)n1ccc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001321056334 946146796 /nfs/dbraw/zinc/14/67/96/946146796.db2.gz DZLQKMCQEHHMPD-LSMGEYOZSA-N 0 3 321.381 0.891 20 5 DCBDHN COC(=O)CNC(=O)[C@H](C)N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588470 946411879 /nfs/dbraw/zinc/41/18/79/946411879.db2.gz ZGWURAMNUCFQQE-JOYOIKCWSA-N 0 3 321.333 0.329 20 5 DCBDHN COCCN1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001324635201 947488280 /nfs/dbraw/zinc/48/82/80/947488280.db2.gz IEGMKIGKMWRQGT-UHFFFAOYSA-N 0 3 311.342 0.169 20 5 DCBDHN CN(C)[C@@H]1CCC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001325104533 947655427 /nfs/dbraw/zinc/65/54/27/947655427.db2.gz REIODROOXBCKQK-GHMZBOCLSA-N 0 3 308.338 0.355 20 5 DCBDHN CN1CCNC[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001263111227 947809517 /nfs/dbraw/zinc/80/95/17/947809517.db2.gz WZAAXJCXUFCTNT-HNNXBMFYSA-N 0 3 318.377 0.989 20 5 DCBDHN O=C(NC[C@H]1CNCCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328729968 949057212 /nfs/dbraw/zinc/05/72/12/949057212.db2.gz XSPSLVDNZAJJNT-CYBMUJFWSA-N 0 3 306.322 0.608 20 5 DCBDHN CN(C)[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001334868481 952404946 /nfs/dbraw/zinc/40/49/46/952404946.db2.gz PYYVEHUCZJRVTO-NSHDSACASA-N 0 3 308.338 0.309 20 5 DCBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1COC2(CNC2)C1 ZINC001340615476 953182593 /nfs/dbraw/zinc/18/25/93/953182593.db2.gz OKFGFXXEVCFVDE-MJRJWQSSSA-N 0 3 303.318 0.855 20 5 DCBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001344846662 953544196 /nfs/dbraw/zinc/54/41/96/953544196.db2.gz OIPUKANJIXDWAD-GARJFASQSA-N 0 3 308.338 0.354 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001351590048 955345685 /nfs/dbraw/zinc/34/56/85/955345685.db2.gz DVTJSEWIPGUFHY-LLVKDONJSA-N 0 3 322.365 0.792 20 5 DCBDHN CN1CCC2(CCN2c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC001472901164 956565888 /nfs/dbraw/zinc/56/58/88/956565888.db2.gz ASMJHPVCQSZFJB-UHFFFAOYSA-N 0 3 305.338 0.763 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCC(CCO)(CCO)CC2)c1 ZINC001473714289 1016958517 /nfs/dbraw/zinc/95/85/17/1016958517.db2.gz BHKGTYJZAGGSLW-UHFFFAOYSA-N 0 3 312.370 0.638 20 5 DCBDHN CNc1nccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001456305269 1010181939 /nfs/dbraw/zinc/18/19/39/1010181939.db2.gz RJDKYNYRLRYMEG-SECBINFHSA-N 0 3 321.337 0.234 20 5 DCBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC(N[C@@H]2CCOC2)C1 ZINC001558548756 1012365171 /nfs/dbraw/zinc/36/51/71/1012365171.db2.gz GTLSLRQPDJZZBE-LLVKDONJSA-N 0 3 321.333 0.563 20 5 DCBDHN COc1cc(C(=O)NCCN(C)CCO)cc([N+](=O)[O-])c1C ZINC001645402783 1172041572 /nfs/dbraw/zinc/04/15/72/1172041572.db2.gz WWLATWUQHZALRV-UHFFFAOYSA-N 0 3 311.338 0.566 20 5 DCBDHN CN1CC[C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000272634810 210038073 /nfs/dbraw/zinc/03/80/73/210038073.db2.gz XKLOWKJSLCQPST-AAEUAGOBSA-N 0 3 322.369 0.527 20 5 DCBDHN COC(=O)C[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000179239783 199003176 /nfs/dbraw/zinc/00/31/76/199003176.db2.gz JYDLXSKJSVSABS-LLVKDONJSA-N 0 3 309.322 0.784 20 5 DCBDHN C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCN1 ZINC000420331658 240022650 /nfs/dbraw/zinc/02/26/50/240022650.db2.gz FOKFAVOZFNNARM-LLVKDONJSA-N 0 3 304.350 0.778 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250129 291345279 /nfs/dbraw/zinc/34/52/79/291345279.db2.gz BLPWHJJWKLFCHB-TZMCWYRMSA-N 0 3 320.349 0.217 20 5 DCBDHN CC(=O)c1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000569021431 291459110 /nfs/dbraw/zinc/45/91/10/291459110.db2.gz YSPHTQNQBSTVDX-AAEUAGOBSA-N 0 3 318.333 0.546 20 5 DCBDHN COc1ccc(CNC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000264791316 204157797 /nfs/dbraw/zinc/15/77/97/204157797.db2.gz XDAWKPIWLACQCE-CYBMUJFWSA-N 0 3 308.382 0.939 20 5 DCBDHN COCCN(C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104886792 194050481 /nfs/dbraw/zinc/05/04/81/194050481.db2.gz CSNRANOWSTURTE-UHFFFAOYSA-N 0 3 310.354 0.793 20 5 DCBDHN CN(C)[C@]1(CNC(=O)c2c([N+](=O)[O-])cnn2C)CCSC1 ZINC000347427431 254156065 /nfs/dbraw/zinc/15/60/65/254156065.db2.gz LNBMXCBABCYNLE-LBPRGKRZSA-N 0 3 313.383 0.495 20 5 DCBDHN NC(=O)c1ccc(CNC2(CO)CCOCC2)c([N+](=O)[O-])c1 ZINC000348314074 254231886 /nfs/dbraw/zinc/23/18/86/254231886.db2.gz HECJNHFDQOYWCW-UHFFFAOYSA-N 0 3 309.322 0.325 20 5 DCBDHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351525490 254343430 /nfs/dbraw/zinc/34/34/30/254343430.db2.gz SVKQANCVBDEYNZ-NSHDSACASA-N 0 3 324.312 0.835 20 5 DCBDHN CN1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000026711501 395694422 /nfs/dbraw/zinc/69/44/22/395694422.db2.gz QRNZNAOZXYKRKI-CQSZACIVSA-N 0 3 309.366 0.972 20 5 DCBDHN CN(C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109151225 395796229 /nfs/dbraw/zinc/79/62/29/395796229.db2.gz JNABEWOUIBYIRY-UHFFFAOYSA-N 0 3 304.310 0.467 20 5 DCBDHN COc1ccc(S(=O)(=O)NCCNC2CC2)cc1[N+](=O)[O-] ZINC000054266968 395896973 /nfs/dbraw/zinc/89/69/73/395896973.db2.gz WNWDZCLAJFXGLK-UHFFFAOYSA-N 0 3 315.351 0.634 20 5 DCBDHN COCCNCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237166214 395905243 /nfs/dbraw/zinc/90/52/43/395905243.db2.gz PZAKEBCTZXPAQW-NSHDSACASA-N 0 3 323.353 0.239 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C[C@H]1CO ZINC000245731579 395935433 /nfs/dbraw/zinc/93/54/33/395935433.db2.gz TZJCXHZYTLHITB-QWHCGFSZSA-N 0 3 323.349 0.659 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(CC2CC2)C1 ZINC000151059849 395977819 /nfs/dbraw/zinc/97/78/19/395977819.db2.gz XGWNIAPUURSXOI-GFCCVEGCSA-N 0 3 322.369 0.575 20 5 DCBDHN Cc1c(NC(=O)CCN(CCO)CCO)cccc1[N+](=O)[O-] ZINC000154918265 396044846 /nfs/dbraw/zinc/04/48/46/396044846.db2.gz YJJGEYIRATWJQX-UHFFFAOYSA-N 0 3 311.338 0.518 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCC[C@@H](C)C1 ZINC000068203219 396049000 /nfs/dbraw/zinc/04/90/00/396049000.db2.gz CJHOLFRWFMGJAB-LLVKDONJSA-N 0 3 309.370 0.948 20 5 DCBDHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000262115772 396100647 /nfs/dbraw/zinc/10/06/47/396100647.db2.gz KDBLUCWBJCQOBT-ZDUSSCGKSA-N 0 3 308.338 0.311 20 5 DCBDHN CC(C)(CN)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000262541125 396152917 /nfs/dbraw/zinc/15/29/17/396152917.db2.gz GCXANZYWNYOYGG-UHFFFAOYSA-N 0 3 315.351 0.465 20 5 DCBDHN CN(C)CCn1nnnc1SCCn1cc([N+](=O)[O-])cn1 ZINC000074783302 396172172 /nfs/dbraw/zinc/17/21/72/396172172.db2.gz KKJSJQRGFCJFQD-UHFFFAOYSA-N 0 3 312.359 0.132 20 5 DCBDHN CN1CCN(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1(C)C ZINC000281798993 396241325 /nfs/dbraw/zinc/24/13/25/396241325.db2.gz OTDPIFPTBNZEOZ-UHFFFAOYSA-N 0 3 310.358 0.074 20 5 DCBDHN CN1CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263979021 396247179 /nfs/dbraw/zinc/24/71/79/396247179.db2.gz JWPXMNAPQJYNME-UHFFFAOYSA-N 0 3 320.393 0.891 20 5 DCBDHN Cc1c([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000183306749 396266647 /nfs/dbraw/zinc/26/66/47/396266647.db2.gz NPHFMPNLVNOMOT-JOYOIKCWSA-N 0 3 308.342 0.545 20 5 DCBDHN O=C(NCC1CCN(CCO)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000183580754 396271464 /nfs/dbraw/zinc/27/14/64/396271464.db2.gz CJOGMKYIZJGJKW-UHFFFAOYSA-N 0 3 323.353 0.816 20 5 DCBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000183991033 396280007 /nfs/dbraw/zinc/28/00/07/396280007.db2.gz BENJHNKBBWXTGV-UHFFFAOYSA-N 0 3 311.338 0.647 20 5 DCBDHN C[C@@]1(C(N)=O)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000280874569 396227167 /nfs/dbraw/zinc/22/71/67/396227167.db2.gz ZTOGKQMDXZFWHR-IAQYHMDHSA-N 0 3 323.349 0.532 20 5 DCBDHN C[C@H]1CN(CC(C)(C)O)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000189474781 396395657 /nfs/dbraw/zinc/39/56/57/396395657.db2.gz CUKBRYOZHKARJJ-LBPRGKRZSA-N 0 3 311.386 0.568 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](n3cccn3)C2)c1 ZINC000291755347 396510679 /nfs/dbraw/zinc/51/06/79/396510679.db2.gz KVWPBEBTOSKTCE-AAEUAGOBSA-N 0 3 306.326 0.296 20 5 DCBDHN COc1c(F)cc(S(=O)(=O)[N-]CC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000193254209 396447402 /nfs/dbraw/zinc/44/74/02/396447402.db2.gz YQZJJDWNIFXIHW-SSDOTTSWSA-N 0 3 321.330 0.758 20 5 DCBDHN COc1c(F)cc(S(=O)(=O)[N-]CC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000193254194 396447448 /nfs/dbraw/zinc/44/74/48/396447448.db2.gz YQZJJDWNIFXIHW-ZETCQYMHSA-N 0 3 321.330 0.758 20 5 DCBDHN C[C@@H](NC(=O)N1CCN(C)C[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000580171755 396491053 /nfs/dbraw/zinc/49/10/53/396491053.db2.gz VMVAHZOCEDOEHA-RISCZKNCSA-N 0 3 321.381 0.940 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](N3CCOCC3)CC2)n1 ZINC000595471370 396613747 /nfs/dbraw/zinc/61/37/47/396613747.db2.gz ZYBPQVADGWFZOC-AWEZNQCLSA-N 0 3 323.397 0.978 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H]1COCCO1 ZINC000562988996 396691324 /nfs/dbraw/zinc/69/13/24/396691324.db2.gz VGYCNXHRTMDZAY-RYUDHWBXSA-N 0 3 312.322 0.340 20 5 DCBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN(C)C)c1 ZINC000588864345 396696781 /nfs/dbraw/zinc/69/67/81/396696781.db2.gz FNSUQISMRKWBDO-SECBINFHSA-N 0 3 313.379 0.969 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000596416796 396770353 /nfs/dbraw/zinc/77/03/53/396770353.db2.gz DHLWEZOBRDLMMH-KBPBESRZSA-N 0 3 322.365 0.454 20 5 DCBDHN CCN1CC[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591765764 397000439 /nfs/dbraw/zinc/00/04/39/397000439.db2.gz GLZQLQONCAVYRW-JSGCOSHPSA-N 0 3 323.349 0.545 20 5 DCBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1c([N+](=O)[O-])cnn1C)C2 ZINC000597711913 397071953 /nfs/dbraw/zinc/07/19/53/397071953.db2.gz XLTRLBBTIMBVQX-AWEZNQCLSA-N 0 3 307.354 0.886 20 5 DCBDHN CN(C)CCCS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000601309889 397051016 /nfs/dbraw/zinc/05/10/16/397051016.db2.gz KKUZYHUKVHWLEB-UHFFFAOYSA-N 0 3 301.368 0.966 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H](O)C(F)(F)F ZINC000592431976 397176693 /nfs/dbraw/zinc/17/66/93/397176693.db2.gz AJENWNBFQUEOHN-LDYMZIIASA-N 0 3 324.255 0.847 20 5 DCBDHN CN(C)CCSc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598602070 397256484 /nfs/dbraw/zinc/25/64/84/397256484.db2.gz HHQYMSPZXROKBX-UHFFFAOYSA-N 0 3 313.383 0.875 20 5 DCBDHN NC(=O)c1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000578127200 397392944 /nfs/dbraw/zinc/39/29/44/397392944.db2.gz HPKZDOBBDCRRQP-CYBMUJFWSA-N 0 3 319.321 0.041 20 5 DCBDHN CN(C)CCOCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593580180 397399752 /nfs/dbraw/zinc/39/97/52/397399752.db2.gz CYEKOZOTBQFVBX-UHFFFAOYSA-N 0 3 313.329 0.971 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000602773459 397480202 /nfs/dbraw/zinc/48/02/02/397480202.db2.gz TWWMVCBLAODCKS-ZIAGYGMSSA-N 0 3 323.397 0.631 20 5 DCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC(=O)N(C)C1 ZINC000593994742 397490922 /nfs/dbraw/zinc/49/09/22/397490922.db2.gz IUHHOUCVQJEELS-NSHDSACASA-N 0 3 308.338 0.309 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000602810617 397492009 /nfs/dbraw/zinc/49/20/09/397492009.db2.gz HFUREBDPJGOBEY-NWDGAFQWSA-N 0 3 311.386 0.487 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000602841192 397499757 /nfs/dbraw/zinc/49/97/57/397499757.db2.gz RGFSFIFAMZEOIC-TXEJJXNPSA-N 0 3 311.386 0.487 20 5 DCBDHN CN1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000579812679 397593364 /nfs/dbraw/zinc/59/33/64/397593364.db2.gz VSGRFPHPQDAALS-CQSZACIVSA-N 0 3 321.381 0.422 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCN(C2CCCC2)CC1 ZINC000609997263 397800452 /nfs/dbraw/zinc/80/04/52/397800452.db2.gz KLGHCSWKMXDUGX-UHFFFAOYSA-N 0 3 322.369 0.663 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC(Cn3ccnn3)CC2)n1 ZINC000156125987 158352058 /nfs/dbraw/zinc/35/20/58/158352058.db2.gz DFVOPJDNDMEMBN-UHFFFAOYSA-N 0 3 305.342 0.795 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCCN1C1CC1 ZINC000277432227 415482505 /nfs/dbraw/zinc/48/25/05/415482505.db2.gz DUBIRMBQFIKHAQ-GFCCVEGCSA-N 0 3 307.354 0.924 20 5 DCBDHN COC[C@@](C)(CC(=O)OC)NCCn1cc([N+](=O)[O-])cn1 ZINC000088545913 415517538 /nfs/dbraw/zinc/51/75/38/415517538.db2.gz WODWJZJQXOQZHE-GFCCVEGCSA-N 0 3 300.315 0.349 20 5 DCBDHN CCCN1CCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343637534 415667678 /nfs/dbraw/zinc/66/76/78/415667678.db2.gz BUJWBKROQZVVCQ-GFCCVEGCSA-N 0 3 322.365 0.747 20 5 DCBDHN CCCN(CC)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343953329 415796800 /nfs/dbraw/zinc/79/68/00/415796800.db2.gz KHPDRJFIOBNXRN-UHFFFAOYSA-N 0 3 310.354 0.605 20 5 DCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000337746456 416004736 /nfs/dbraw/zinc/00/47/36/416004736.db2.gz UHDCENPMQNPLJQ-UHFFFAOYSA-N 0 3 324.385 0.084 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000298610746 416016799 /nfs/dbraw/zinc/01/67/99/416016799.db2.gz VEBLBFHYEIDIBM-VIFPVBQESA-N 0 3 324.337 0.608 20 5 DCBDHN COCCCN(C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180813216 416201468 /nfs/dbraw/zinc/20/14/68/416201468.db2.gz HNSQQTXFFJTVIK-UHFFFAOYSA-N 0 3 310.354 0.875 20 5 DCBDHN NC[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423891742 416582985 /nfs/dbraw/zinc/58/29/85/416582985.db2.gz BTOAXFFKCCPUMF-ZDUSSCGKSA-N 0 3 303.322 0.650 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(O)CCC2)cc1 ZINC000514857083 416680151 /nfs/dbraw/zinc/68/01/51/416680151.db2.gz VMKDDSDIESASFX-UHFFFAOYSA-N 0 3 314.363 0.873 20 5 DCBDHN CNc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000545156099 416663945 /nfs/dbraw/zinc/66/39/45/416663945.db2.gz GYXSAAANMHERJF-CQSZACIVSA-N 0 3 308.338 0.433 20 5 DCBDHN CCN1CCC[C@@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000557463444 416736315 /nfs/dbraw/zinc/73/63/15/416736315.db2.gz SLHQDWHTHYEUDX-SNVBAGLBSA-N 0 3 307.354 1.246 20 5 DCBDHN O=C(CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)NCC1CC1 ZINC000520799582 416976965 /nfs/dbraw/zinc/97/69/65/416976965.db2.gz PKCZVFIQVUFUIZ-CYBMUJFWSA-N 0 3 323.349 0.450 20 5 DCBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCNS(C)(=O)=O ZINC000449057955 417119429 /nfs/dbraw/zinc/11/94/29/417119429.db2.gz FRSSAHFYQVMWGZ-JTQLQIEISA-N 0 3 301.368 0.665 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1NCC(=O)NCCN1CCCCCC1 ZINC000431504162 417127523 /nfs/dbraw/zinc/12/75/23/417127523.db2.gz DLACGCYRRQLEFP-UHFFFAOYSA-N 0 3 324.385 0.732 20 5 DCBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000183998228 261117737 /nfs/dbraw/zinc/11/77/37/261117737.db2.gz UHMSBXQJKTYDJD-UHFFFAOYSA-N 0 3 311.338 0.647 20 5 DCBDHN COCCNCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418497678 262279156 /nfs/dbraw/zinc/27/91/56/262279156.db2.gz KPZRGEVLCNDICS-UHFFFAOYSA-N 0 3 322.365 0.899 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000358655969 271063911 /nfs/dbraw/zinc/06/39/11/271063911.db2.gz YUNQDWFJHABFEG-HNNXBMFYSA-N 0 3 322.365 0.503 20 5 DCBDHN N[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000424127501 271397805 /nfs/dbraw/zinc/39/78/05/271397805.db2.gz PZGSNVFOBUNSKY-QWHCGFSZSA-N 0 3 318.333 0.226 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492602131 272136491 /nfs/dbraw/zinc/13/64/91/272136491.db2.gz HAGKCAMBGIEBME-XHPSBEMXSA-N 0 3 305.334 0.791 20 5 DCBDHN CCc1ccnc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000564864556 288779821 /nfs/dbraw/zinc/77/98/21/288779821.db2.gz PDHSTYJCOFTUOE-AWEZNQCLSA-N 0 3 305.338 0.899 20 5 DCBDHN C[C@@H]1[C@H](C)SCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247226974 525694803 /nfs/dbraw/zinc/69/48/03/525694803.db2.gz CZVSPKSRGVHIHU-JFGNBEQYSA-N 0 3 300.384 0.978 20 5 DCBDHN CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)ccc1=O ZINC000285487293 535935443 /nfs/dbraw/zinc/93/54/43/535935443.db2.gz ACRMPTNTXOEYMT-UHFFFAOYSA-N 0 3 320.309 0.294 20 5 DCBDHN Cc1ncc(CN2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001000674172 665914621 /nfs/dbraw/zinc/91/46/21/665914621.db2.gz MFNMYWTVQORBIO-ZIAGYGMSSA-N 0 3 320.349 0.897 20 5 DCBDHN CN(CCO)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000899729621 663183446 /nfs/dbraw/zinc/18/34/46/663183446.db2.gz LVLKGNQYDFYFDZ-UHFFFAOYSA-N 0 3 313.379 0.727 20 5 DCBDHN COc1cc(C(=O)N(C)CCN(C)CCO)ccc1[N+](=O)[O-] ZINC000912606170 664193006 /nfs/dbraw/zinc/19/30/06/664193006.db2.gz AGPXIBPGOYBXCF-UHFFFAOYSA-N 0 3 311.338 0.600 20 5 DCBDHN O=C1OC[C@]2(CNCc3ccc([N+](=O)[O-])cc3)COCCN12 ZINC000865768206 667344975 /nfs/dbraw/zinc/34/49/75/667344975.db2.gz DYSGBHMZMDAYPJ-AWEZNQCLSA-N 0 3 307.306 0.906 20 5 DCBDHN Cn1c(C(=O)NC[C@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000885860188 667712923 /nfs/dbraw/zinc/71/29/23/667712923.db2.gz HFVHPCXNJIRNEO-GFCCVEGCSA-N 0 3 322.365 0.916 20 5 DCBDHN CCN(CC)CC(=O)N1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000103461678 667748725 /nfs/dbraw/zinc/74/87/25/667748725.db2.gz QQUZBZPNQLHAQP-UHFFFAOYSA-N 0 3 324.385 0.235 20 5 DCBDHN Cn1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000747232057 667898173 /nfs/dbraw/zinc/89/81/73/667898173.db2.gz QBIUBCDSESKHCG-WDEREUQCSA-N 0 3 308.338 0.526 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000747232250 667898249 /nfs/dbraw/zinc/89/82/49/667898249.db2.gz VLICREXRJNZNHZ-CMPLNLGQSA-N 0 3 308.338 0.526 20 5 DCBDHN Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])[C@H](C)C2)n[nH]1 ZINC000839791450 668211642 /nfs/dbraw/zinc/21/16/42/668211642.db2.gz KGQMDLDSBPWYFO-CKYFFXLPSA-N 0 3 321.337 0.056 20 5 DCBDHN COC(=O)C[C@@]1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000767033106 668556796 /nfs/dbraw/zinc/55/67/96/668556796.db2.gz SPFPUCYPWCUBFB-ZFWWWQNUSA-N 0 3 324.333 0.940 20 5 DCBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C1(O)CCOCC1 ZINC000930442182 669019306 /nfs/dbraw/zinc/01/93/06/669019306.db2.gz VGLUJOZHZVVXMA-OAHLLOKOSA-N 0 3 324.377 0.972 20 5 DCBDHN CC(COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[N+](=O)[O-] ZINC000813112036 670611461 /nfs/dbraw/zinc/61/14/61/670611461.db2.gz MOCNFSCDRYENDK-ZJUUUORDSA-N 0 3 318.326 0.831 20 5 DCBDHN CC(COC(=O)CCn1c2ccccc2n(C)c1=O)[N+](=O)[O-] ZINC000813105250 670611497 /nfs/dbraw/zinc/61/14/97/670611497.db2.gz LDCFBKBOFBXKAV-JTQLQIEISA-N 0 3 307.306 0.939 20 5 DCBDHN CC(COC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813111896 670611617 /nfs/dbraw/zinc/61/16/17/670611617.db2.gz LGEYAAOYGIWVAO-SECBINFHSA-N 0 3 318.289 0.793 20 5 DCBDHN CCS(=O)(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813106786 670612115 /nfs/dbraw/zinc/61/21/15/670612115.db2.gz HRDMOWRMHZLBSY-SECBINFHSA-N 0 3 308.356 0.257 20 5 DCBDHN CC(COC(=O)Cn1cc(Br)ccc1=O)[N+](=O)[O-] ZINC000813114443 670612688 /nfs/dbraw/zinc/61/26/88/670612688.db2.gz BFAWECQWTLLSHI-SSDOTTSWSA-N 0 3 319.111 0.819 20 5 DCBDHN CC(COC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)[N+](=O)[O-] ZINC000813112937 670612722 /nfs/dbraw/zinc/61/27/22/670612722.db2.gz MITDLMKRBVMGNA-SKDRFNHKSA-N 0 3 320.305 0.315 20 5 DCBDHN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777767 671237559 /nfs/dbraw/zinc/23/75/59/671237559.db2.gz VSWVGTKFQRFLEU-QMMMGPOBSA-N 0 3 317.342 0.004 20 5 DCBDHN CN1C[C@@H]2CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000833336562 671747127 /nfs/dbraw/zinc/74/71/27/671747127.db2.gz FOOUOSQLBLFPCR-IACUBPJLSA-N 0 3 305.334 0.791 20 5 DCBDHN COc1ccc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001566454200 1159986676 /nfs/dbraw/zinc/98/66/76/1159986676.db2.gz ZHNAYVZALYKLGE-VXGBXAGGSA-N 0 3 323.353 0.089 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001580009738 1165471638 /nfs/dbraw/zinc/47/16/38/1165471638.db2.gz ZITGKZXNAABCSY-GFCCVEGCSA-N 0 3 315.333 0.773 20 5 DCBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)[NH+](C)C ZINC001580288269 1165559314 /nfs/dbraw/zinc/55/93/14/1165559314.db2.gz QRXNPOJTMAIRNB-ZETCQYMHSA-N 0 3 306.330 0.719 20 5 DCBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)[NH+](C)C ZINC001580288269 1165559318 /nfs/dbraw/zinc/55/93/18/1165559318.db2.gz QRXNPOJTMAIRNB-ZETCQYMHSA-N 0 3 306.330 0.719 20 5 DCBDHN O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)C2CNC2)c1 ZINC001580876026 1165748368 /nfs/dbraw/zinc/74/83/68/1165748368.db2.gz XHQPGMUTZTVXGS-UHFFFAOYSA-N 0 3 311.363 0.861 20 5 DCBDHN Nc1ncc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC001583990105 1166298842 /nfs/dbraw/zinc/29/88/42/1166298842.db2.gz XJDLDIJIDHXBPS-QWRGUYRKSA-N 0 3 321.337 0.165 20 5 DCBDHN C[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@H]2C1 ZINC001591196728 1167147833 /nfs/dbraw/zinc/14/78/33/1167147833.db2.gz XYUJFHASBPXOBT-DTORHVGOSA-N 0 3 316.325 0.168 20 5 DCBDHN C[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@H]2C1 ZINC001591196728 1167147834 /nfs/dbraw/zinc/14/78/34/1167147834.db2.gz XYUJFHASBPXOBT-DTORHVGOSA-N 0 3 316.325 0.168 20 5 DCBDHN C[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@H]2C1 ZINC001591196728 1167147837 /nfs/dbraw/zinc/14/78/37/1167147837.db2.gz XYUJFHASBPXOBT-DTORHVGOSA-N 0 3 316.325 0.168 20 5 DCBDHN C[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@H]2C1 ZINC001591196728 1167147839 /nfs/dbraw/zinc/14/78/39/1167147839.db2.gz XYUJFHASBPXOBT-DTORHVGOSA-N 0 3 316.325 0.168 20 5 DCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001635934898 1171718766 /nfs/dbraw/zinc/71/87/66/1171718766.db2.gz GUHYFZJLWWVXKW-JTQLQIEISA-N 0 3 306.322 0.501 20 5 DCBDHN COc1ccc2ncc([N+](=O)[O-])c(N[C@@H](CO)CN(C)C)c2c1 ZINC001655534124 1173822875 /nfs/dbraw/zinc/82/28/75/1173822875.db2.gz CTHPEDVNNGPZEK-SNVBAGLBSA-N 0 3 320.349 0.908 20 5 DCBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC001659623290 1173934686 /nfs/dbraw/zinc/93/46/86/1173934686.db2.gz ZIWMSABCOMVEHR-CFVMTHIKSA-N 0 3 310.350 0.693 20 5 DCBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1c(C)noc1C ZINC001714583118 1181426245 /nfs/dbraw/zinc/42/62/45/1181426245.db2.gz IUUBCMMFZFGELX-DGCLKSJQSA-N 0 3 310.354 0.895 20 5 DCBDHN CC1(C)CC(CN2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001724453818 1184446497 /nfs/dbraw/zinc/44/64/97/1184446497.db2.gz JQEAFMDJGDRQIN-VXGBXAGGSA-N 0 3 311.382 0.251 20 5 DCBDHN O=C(NCC1(NCc2nccs2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001724784243 1184555420 /nfs/dbraw/zinc/55/54/20/1184555420.db2.gz CVDSZLDDQUSYLW-NXEZZACHSA-N 0 3 310.379 0.937 20 5 DCBDHN Cc1ccncc1CN(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732581559 1185861106 /nfs/dbraw/zinc/86/11/06/1185861106.db2.gz GGHLSXCTOUYFRF-ZIAGYGMSSA-N 0 3 306.366 0.945 20 5 DCBDHN Cn1cnc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001126677885 749595884 /nfs/dbraw/zinc/59/58/84/749595884.db2.gz GPUNAXALEDRQQW-UHFFFAOYSA-N 0 3 304.310 0.243 20 5 DCBDHN Cc1nnc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001126912273 750114245 /nfs/dbraw/zinc/11/42/45/750114245.db2.gz HFQKKGFTSCIHHI-UHFFFAOYSA-N 0 3 318.337 0.470 20 5 DCBDHN C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097096101 755595823 /nfs/dbraw/zinc/59/58/23/755595823.db2.gz HJQIMUIBNHDNJP-MGCOHNPYSA-N 0 3 323.353 0.706 20 5 DCBDHN O=C(Cn1cccn1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123515274 767992384 /nfs/dbraw/zinc/99/23/84/767992384.db2.gz KJEXPGLYGVQWJG-UHFFFAOYSA-N 0 3 303.322 0.697 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])cc(N[C@H](C)[C@@H]2CNCCO2)n1 ZINC001170566185 763846561 /nfs/dbraw/zinc/84/65/61/763846561.db2.gz XJFAWOFEQCXYJX-KCJUWKMLSA-N 0 3 310.310 0.565 20 5 DCBDHN CCN1CCN(CCCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001136216744 766261444 /nfs/dbraw/zinc/26/14/44/766261444.db2.gz XPVIMYAMFKXLHZ-UHFFFAOYSA-N 0 3 314.430 0.966 20 5 DCBDHN Cc1[nH]cnc1CC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093777241 768736367 /nfs/dbraw/zinc/73/63/67/768736367.db2.gz ZAAYVYIKGRZGHS-UHFFFAOYSA-N 0 3 322.300 0.931 20 5 DCBDHN COC(=O)CC[C@H](N[C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173226671 769567578 /nfs/dbraw/zinc/56/75/78/769567578.db2.gz YPESZSHKWJXNDR-MFKMUULPSA-N 0 3 323.349 0.923 20 5 DCBDHN CN(C)C[C@@H]1COCCN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001154978698 770357760 /nfs/dbraw/zinc/35/77/60/770357760.db2.gz UBUBJXLXSYDBQL-SNVBAGLBSA-N 0 3 316.745 0.648 20 5 DCBDHN Cc1[nH]ccc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001156355687 770794331 /nfs/dbraw/zinc/79/43/31/770794331.db2.gz DHQYEICJMVTNOH-UHFFFAOYSA-N 0 3 320.353 0.875 20 5 DCBDHN O=C(NCCCNCc1nc(C2CC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767271 771665988 /nfs/dbraw/zinc/66/59/88/771665988.db2.gz KLDXEAYUGZOCQG-NXEZZACHSA-N 0 3 309.326 0.208 20 5 DCBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1CNCCO1 ZINC001159497581 771919352 /nfs/dbraw/zinc/91/93/52/771919352.db2.gz IYKXGENFYZQMTQ-JOYOIKCWSA-N 0 3 324.337 0.955 20 5 DCBDHN COC(=O)c1cnc(N[C@@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001159499662 771920227 /nfs/dbraw/zinc/92/02/27/771920227.db2.gz UORMEALZGIACEJ-GZMMTYOYSA-N 0 3 310.310 0.565 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(NCc2nnn3c2CNCCC3)n1 ZINC001162971365 772437556 /nfs/dbraw/zinc/43/75/56/772437556.db2.gz FCDUWXLJOCPWGO-UHFFFAOYSA-N 0 3 303.326 0.995 20 5 DCBDHN Cc1cc(CN)nn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001163980515 772601252 /nfs/dbraw/zinc/60/12/52/772601252.db2.gz XLWSSLRSLRUYEN-UHFFFAOYSA-N 0 3 319.325 0.174 20 5 DCBDHN CN(c1nccc2c1cccc2[N+](=O)[O-])S(=O)(=O)CCN ZINC001164288408 772637233 /nfs/dbraw/zinc/63/72/33/772637233.db2.gz OTTDCUIVBGZFKX-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN CCOc1cc([N+](=O)[O-])ccc1N(C)S(=O)(=O)CCN ZINC001164296768 772640604 /nfs/dbraw/zinc/64/06/04/772640604.db2.gz PAGCCQJEAVTXLD-UHFFFAOYSA-N 0 3 303.340 0.718 20 5 DCBDHN Nc1nc(N2CC[C@H]3[C@H]2CCCN3CCO)ncc1[N+](=O)[O-] ZINC001164303006 772642576 /nfs/dbraw/zinc/64/25/76/772642576.db2.gz NCBNISDBLYUZIE-VHSXEESVSA-N 0 3 308.342 0.002 20 5 DCBDHN O=C(NCCC1(CNCc2cnon2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164495042 772668116 /nfs/dbraw/zinc/66/81/16/772668116.db2.gz ZZERQSBBJKXTOH-GHMZBOCLSA-N 0 3 309.326 0.111 20 5 DCBDHN Cc1nc(Cl)nc(N2CC[C@@H]3NCCO[C@H]3C2)c1[N+](=O)[O-] ZINC001165269399 772713643 /nfs/dbraw/zinc/71/36/43/772713643.db2.gz KTBBONUHRYVDCX-IUCAKERBSA-N 0 3 313.745 0.914 20 5 DCBDHN CS(=O)(=O)N(c1ccc2[nH]cc([N+](=O)[O-])c2n1)C1CNC1 ZINC001166968218 772892878 /nfs/dbraw/zinc/89/28/78/772892878.db2.gz KPBFALFIMIJYMR-UHFFFAOYSA-N 0 3 311.323 0.209 20 5 DCBDHN CN(C)C(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001195115869 773328303 /nfs/dbraw/zinc/32/83/03/773328303.db2.gz WXLNRTHQWKYDCM-NSHDSACASA-N 0 3 308.338 0.167 20 5 DCBDHN CCN(C)[C@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC001214102680 773926449 /nfs/dbraw/zinc/92/64/49/773926449.db2.gz FEDBDORYMSSEHD-JTQLQIEISA-N 0 3 314.367 0.705 20 5 DCBDHN COc1cc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001317448732 944977526 /nfs/dbraw/zinc/97/75/26/944977526.db2.gz YPKUQPDJTDWHMZ-VXGBXAGGSA-N 0 3 308.338 0.303 20 5 DCBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1COC2(CNC2)C1 ZINC001263155637 947814918 /nfs/dbraw/zinc/81/49/18/947814918.db2.gz AZVJCVHMTLBWQR-JTQLQIEISA-N 0 3 323.374 0.934 20 5 DCBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1COC2(CNC2)C1 ZINC001263155681 947815213 /nfs/dbraw/zinc/81/52/13/947815213.db2.gz CPONTNCDJSOIOH-GFCCVEGCSA-N 0 3 305.334 0.775 20 5 DCBDHN CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC001329109154 949361932 /nfs/dbraw/zinc/36/19/32/949361932.db2.gz SUEMDSYQZPICFG-UHFFFAOYSA-N 0 3 322.365 0.699 20 5 DCBDHN CN(C)CCONC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001330819142 950687056 /nfs/dbraw/zinc/68/70/56/950687056.db2.gz JWBGWGMWNXLVDJ-UHFFFAOYSA-N 0 3 324.337 0.324 20 5 DCBDHN Nc1cc(N2CCN(C[C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001339610134 953105906 /nfs/dbraw/zinc/10/59/06/953105906.db2.gz LSOQQMWEVIANBL-LLVKDONJSA-N 0 3 307.354 0.731 20 5 DCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1c([N+](=O)[O-])cnn1C ZINC001342863175 953311725 /nfs/dbraw/zinc/31/17/25/953311725.db2.gz GRGUWVKIBROVDH-NSHDSACASA-N 0 3 324.385 0.683 20 5 DCBDHN C[C@H]1[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC001303798405 960063309 /nfs/dbraw/zinc/06/33/09/960063309.db2.gz AUFDGDCFCQMSSQ-GXFFZTMASA-N 0 3 320.349 0.533 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001304083889 960076122 /nfs/dbraw/zinc/07/61/22/960076122.db2.gz LAWUSSKHLGWHCM-LLVKDONJSA-N 0 3 323.353 0.079 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCN1CCCO ZINC001468316456 1016243810 /nfs/dbraw/zinc/24/38/10/1016243810.db2.gz LWMAHNMCELSSMQ-LBPRGKRZSA-N 0 3 322.365 0.754 20 5 DCBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC001454607753 1009224207 /nfs/dbraw/zinc/22/42/07/1009224207.db2.gz DOCWSZZCNIOVMT-JTQLQIEISA-N 0 3 322.365 0.752 20 5 DCBDHN CC[C@H]1CN(CC)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835116 1012429811 /nfs/dbraw/zinc/42/98/11/1012429811.db2.gz AKLDROZSRBPYMP-GXTWGEPZSA-N 0 3 311.386 0.568 20 5 DCBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ccon1 ZINC001498517357 1019187430 /nfs/dbraw/zinc/18/74/30/1019187430.db2.gz IXWUHEVQBHDOGH-UHFFFAOYSA-N 0 3 322.325 0.568 20 5 DCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330859332 232118562 /nfs/dbraw/zinc/11/85/62/232118562.db2.gz RFUARFQSYNWHST-BXKDBHETSA-N 0 3 307.354 0.984 20 5 DCBDHN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1=CCN(C)CC1 ZINC000272732821 210137955 /nfs/dbraw/zinc/13/79/55/210137955.db2.gz BYNJJAOASUKWPV-LLVKDONJSA-N 0 3 320.349 0.523 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331382927 233245683 /nfs/dbraw/zinc/24/56/83/233245683.db2.gz JNBWUZLFIAVGOA-SNVBAGLBSA-N 0 3 306.322 0.109 20 5 DCBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000174628678 198362170 /nfs/dbraw/zinc/36/21/70/198362170.db2.gz YFKJUIXFESRRRB-NWDGAFQWSA-N 0 3 320.349 0.452 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490235 291307456 /nfs/dbraw/zinc/30/74/56/291307456.db2.gz FHHMTUQITGGQHX-KBUVRSHFSA-N 0 3 316.361 0.852 20 5 DCBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)COc2ccc(F)cc2)c1 ZINC000567688549 291369935 /nfs/dbraw/zinc/36/99/35/291369935.db2.gz STUDZRSOECPGRN-ZDUSSCGKSA-N 0 3 324.312 0.960 20 5 DCBDHN CN1CCC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264844014 204202292 /nfs/dbraw/zinc/20/22/92/204202292.db2.gz BAUPWRPZFKJAAY-GFCCVEGCSA-N 0 3 321.333 0.997 20 5 DCBDHN COC(=O)CC[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000288583082 220257868 /nfs/dbraw/zinc/25/78/68/220257868.db2.gz IUYXKTOYYVHGPE-LBPRGKRZSA-N 0 3 309.322 0.534 20 5 DCBDHN COC[C@@](C)(N)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276152804 285315470 /nfs/dbraw/zinc/31/54/70/285315470.db2.gz FADUMVHEZPEZGP-LBPRGKRZSA-N 0 3 317.367 0.774 20 5 DCBDHN CN1CC[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000272551478 395899259 /nfs/dbraw/zinc/89/92/59/395899259.db2.gz CYYYEMGSFHZHHX-WCQYABFASA-N 0 3 320.349 0.309 20 5 DCBDHN CC1CCN(CCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 ZINC000154234891 396034363 /nfs/dbraw/zinc/03/43/63/396034363.db2.gz GZOYEKYJUUHTSY-UHFFFAOYSA-N 0 3 308.338 0.587 20 5 DCBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000177756741 396181900 /nfs/dbraw/zinc/18/19/00/396181900.db2.gz KAHAUZJZPVMFRL-NEPJUHHUSA-N 0 3 307.354 0.877 20 5 DCBDHN CN(C)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000264495884 396285185 /nfs/dbraw/zinc/28/51/85/396285185.db2.gz XDEYCEOGGNMBLG-LLVKDONJSA-N 0 3 308.338 0.309 20 5 DCBDHN CCN(CCO)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000187235076 396365317 /nfs/dbraw/zinc/36/53/17/396365317.db2.gz WNWUEHHYVLRKTK-UHFFFAOYSA-N 0 3 310.354 0.708 20 5 DCBDHN COc1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000269231104 396397411 /nfs/dbraw/zinc/39/74/11/396397411.db2.gz DCCWTQMPVRJKAJ-GFCCVEGCSA-N 0 3 323.349 0.988 20 5 DCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](CN(C)C)C2)n1 ZINC000191817469 396425399 /nfs/dbraw/zinc/42/53/99/396425399.db2.gz TVOQVXPSHWKHOW-SNVBAGLBSA-N 0 3 311.342 0.214 20 5 DCBDHN NC(=O)C1(NCCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595728385 396652668 /nfs/dbraw/zinc/65/26/68/396652668.db2.gz MXGUAZIMCCAOPE-UHFFFAOYSA-N 0 3 309.322 0.598 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCc1cnccn1 ZINC000581879759 396588715 /nfs/dbraw/zinc/58/87/15/396588715.db2.gz YLRFPDLYSSXLAE-CYBMUJFWSA-N 0 3 318.333 0.957 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](N3CCOCC3)CC2)n1 ZINC000595471371 396613490 /nfs/dbraw/zinc/61/34/90/396613490.db2.gz ZYBPQVADGWFZOC-CQSZACIVSA-N 0 3 323.397 0.978 20 5 DCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588862531 396696001 /nfs/dbraw/zinc/69/60/01/396696001.db2.gz DGFCYAILJCNCAJ-GJZGRUSLSA-N 0 3 319.361 0.805 20 5 DCBDHN CCOC(=O)c1ccnc(N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000589101397 396704374 /nfs/dbraw/zinc/70/43/74/396704374.db2.gz BTCKFPPQTQNYGC-VIFPVBQESA-N 0 3 312.326 0.501 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(CO)cc2)c1 ZINC000320254963 396813128 /nfs/dbraw/zinc/81/31/28/396813128.db2.gz XEJNXXKYCUSOAX-CQSZACIVSA-N 0 3 306.322 0.434 20 5 DCBDHN NC[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000571778546 396987324 /nfs/dbraw/zinc/98/73/24/396987324.db2.gz WDKRYQZVFGKUOD-ZDUSSCGKSA-N 0 3 320.349 0.551 20 5 DCBDHN CCN1CC[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000591765970 396999984 /nfs/dbraw/zinc/99/99/84/396999984.db2.gz XHQMZFYCASAGQB-VXGBXAGGSA-N 0 3 323.349 0.545 20 5 DCBDHN CCN1CC[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591765763 397000392 /nfs/dbraw/zinc/00/03/92/397000392.db2.gz GLZQLQONCAVYRW-GXTWGEPZSA-N 0 3 323.349 0.545 20 5 DCBDHN CN(C)C[C@@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592432173 397176583 /nfs/dbraw/zinc/17/65/83/397176583.db2.gz JWUMCWUONKYJPI-NSHDSACASA-N 0 3 310.354 0.436 20 5 DCBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000578192217 397403035 /nfs/dbraw/zinc/40/30/35/397403035.db2.gz HLVKSHLLBZVDOY-SNVBAGLBSA-N 0 3 314.367 0.786 20 5 DCBDHN Cc1ccc([C@@H](C)NC(=O)CN2CCNCC2)cc1[N+](=O)[O-] ZINC000602465107 397409007 /nfs/dbraw/zinc/40/90/07/397409007.db2.gz HWJBRVHJNKUDOK-GFCCVEGCSA-N 0 3 306.366 0.986 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1 ZINC000367770726 397409091 /nfs/dbraw/zinc/40/90/91/397409091.db2.gz IIYSXVCFDDRBDT-IUCAKERBSA-N 0 3 303.315 0.573 20 5 DCBDHN CC(=O)NCC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602763461 397479432 /nfs/dbraw/zinc/47/94/32/397479432.db2.gz KUZWTZDFUIZVRK-UHFFFAOYSA-N 0 3 309.370 0.948 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1CN1CCOCC1 ZINC000602779409 397482533 /nfs/dbraw/zinc/48/25/33/397482533.db2.gz GAVGKXSXPNBXLB-CQSZACIVSA-N 0 3 323.397 0.896 20 5 DCBDHN CCc1[nH]nc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936777 397544524 /nfs/dbraw/zinc/54/45/24/397544524.db2.gz BWJIKYCASUUSRR-VHSXEESVSA-N 0 3 323.353 0.161 20 5 DCBDHN CCc1n[nH]c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936777 397544528 /nfs/dbraw/zinc/54/45/28/397544528.db2.gz BWJIKYCASUUSRR-VHSXEESVSA-N 0 3 323.353 0.161 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599939265 397546162 /nfs/dbraw/zinc/54/61/62/397546162.db2.gz UQVDETFDWKDDJY-CMPLNLGQSA-N 0 3 308.338 0.214 20 5 DCBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000128547583 158281300 /nfs/dbraw/zinc/28/13/00/158281300.db2.gz FCPGEMGDARGOKX-WDEREUQCSA-N 0 3 310.358 0.423 20 5 DCBDHN CCN1C[C@H](C)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330588477 159198679 /nfs/dbraw/zinc/19/86/79/159198679.db2.gz UEDCRTRZWWYGCB-DYEKYZERSA-N 0 3 311.386 0.567 20 5 DCBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000330593043 159198977 /nfs/dbraw/zinc/19/89/77/159198977.db2.gz AFGRHQZAYMXXHF-UHFFFAOYSA-N 0 3 310.358 0.027 20 5 DCBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000367908552 159364104 /nfs/dbraw/zinc/36/41/04/159364104.db2.gz VWACOKJURKVNQG-GHMZBOCLSA-N 0 3 321.337 0.396 20 5 DCBDHN CN(CC(=O)NC[C@@H]1C[C@H](F)CN1)c1ccccc1[N+](=O)[O-] ZINC000368203902 159382292 /nfs/dbraw/zinc/38/22/92/159382292.db2.gz SSOUAGOFTIARHV-QWRGUYRKSA-N 0 3 310.329 0.847 20 5 DCBDHN CN1CCC2(CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000408071956 160029427 /nfs/dbraw/zinc/02/94/27/160029427.db2.gz PTNYBEAOJIRAIA-UHFFFAOYSA-N 0 3 308.342 0.273 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000153225884 287048514 /nfs/dbraw/zinc/04/85/14/287048514.db2.gz FTOFSOUASHXXIH-AWEZNQCLSA-N 0 3 313.329 0.705 20 5 DCBDHN CCOC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246462094 287084062 /nfs/dbraw/zinc/08/40/62/287084062.db2.gz FMPJSDJCFHMIDB-DGCLKSJQSA-N 0 3 310.354 0.873 20 5 DCBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N(C)[C@H](C)CN)cc1[N+](=O)[O-] ZINC000419241327 287276602 /nfs/dbraw/zinc/27/66/02/287276602.db2.gz BVEGJRAHABKNOR-MNOVXSKESA-N 0 3 322.365 0.886 20 5 DCBDHN C[C@@H]1CCN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000354009371 415714997 /nfs/dbraw/zinc/71/49/97/415714997.db2.gz VFVXGWGDIGQBOZ-LLVKDONJSA-N 0 3 308.338 0.309 20 5 DCBDHN C[C@H]1[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343887363 415764426 /nfs/dbraw/zinc/76/44/26/415764426.db2.gz FVXGUAQFSAFGEW-JQWIXIFHSA-N 0 3 310.358 0.573 20 5 DCBDHN C[C@@H]1[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343887989 415769285 /nfs/dbraw/zinc/76/92/85/415769285.db2.gz FVXGUAQFSAFGEW-ZYHUDNBSSA-N 0 3 310.358 0.573 20 5 DCBDHN CC(C)N(C)C[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000356739785 415979999 /nfs/dbraw/zinc/97/99/99/415979999.db2.gz KEQSTNRFXCRPIY-NSHDSACASA-N 0 3 310.354 0.601 20 5 DCBDHN Cc1nn(C)c(N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000301299412 416079545 /nfs/dbraw/zinc/07/95/45/416079545.db2.gz QJOPDRSDLVCZRI-CYBMUJFWSA-N 0 3 322.413 0.853 20 5 DCBDHN CC1CCN(C[C@H](O)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301181195 416076534 /nfs/dbraw/zinc/07/65/34/416076534.db2.gz PYIRJSKJDDTNFO-SNVBAGLBSA-N 0 3 310.358 0.472 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN(C)C ZINC000357598865 416103752 /nfs/dbraw/zinc/10/37/52/416103752.db2.gz MIMRRMQADZFPAK-SECBINFHSA-N 0 3 324.337 0.608 20 5 DCBDHN CN1CC[C@@](O)(CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000358306731 416221851 /nfs/dbraw/zinc/22/18/51/416221851.db2.gz HXACPCOPRIXQTD-CQSZACIVSA-N 0 3 303.322 1.017 20 5 DCBDHN O=C1C[C@]2(CN1)CCCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000341678072 416223148 /nfs/dbraw/zinc/22/31/48/416223148.db2.gz WNCKXFCLBMVMLJ-HNNXBMFYSA-N 0 3 320.349 0.359 20 5 DCBDHN C[C@H](CN)NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419349621 416399684 /nfs/dbraw/zinc/39/96/84/416399684.db2.gz MQUOSKWGIAPQHO-LLVKDONJSA-N 0 3 322.365 0.497 20 5 DCBDHN CNc1nccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000584359494 416514258 /nfs/dbraw/zinc/51/42/58/416514258.db2.gz DTIHNWZZNWMTFZ-VHSXEESVSA-N 0 3 319.365 1.387 20 5 DCBDHN N[C@@H](CC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423904019 416586474 /nfs/dbraw/zinc/58/64/74/416586474.db2.gz NRMLKPGQBPGWGM-ZDUSSCGKSA-N 0 3 303.322 0.998 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](n3ccnn3)C2)c1 ZINC000425505743 416711122 /nfs/dbraw/zinc/71/11/22/416711122.db2.gz ZBZLVWBSNJJTTC-WCQYABFASA-N 0 3 321.341 0.081 20 5 DCBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1CNCCO1 ZINC000557147238 416727497 /nfs/dbraw/zinc/72/74/97/416727497.db2.gz HRTNSUNFRVWNSD-CYBMUJFWSA-N 0 3 324.337 0.261 20 5 DCBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000516948452 416759711 /nfs/dbraw/zinc/75/97/11/416759711.db2.gz COBNWIAZQYDCQM-SWHYSGLUSA-N 0 3 322.365 0.529 20 5 DCBDHN CN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000519538259 416911077 /nfs/dbraw/zinc/91/10/77/416911077.db2.gz IUNOYLOEIXRUES-GFCCVEGCSA-N 0 3 321.381 0.498 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1CCCO ZINC000519745615 416934654 /nfs/dbraw/zinc/93/46/54/416934654.db2.gz RHIKPBFEPCRBIV-LLVKDONJSA-N 0 3 310.354 0.510 20 5 DCBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525129217 417124837 /nfs/dbraw/zinc/12/48/37/417124837.db2.gz PZUSHHFKTBUUAN-SNVBAGLBSA-N 0 3 314.367 0.705 20 5 DCBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000576596333 417621158 /nfs/dbraw/zinc/62/11/58/417621158.db2.gz VPTXJVJESPOXDD-KBPBESRZSA-N 0 3 307.350 0.959 20 5 DCBDHN O=C(CN1CCCC1)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302142887 230119965 /nfs/dbraw/zinc/11/99/65/230119965.db2.gz FXZKNANYBVFCCI-UHFFFAOYSA-N 0 3 320.353 0.129 20 5 DCBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CNCCO1 ZINC000417234956 262248354 /nfs/dbraw/zinc/24/83/54/262248354.db2.gz QRRQLVSEEGGZEX-ZDUSSCGKSA-N 0 3 308.338 0.425 20 5 DCBDHN C[C@H](NC(=O)C(=O)N[C@H](CN)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000418783606 262289632 /nfs/dbraw/zinc/28/96/32/262289632.db2.gz OUZFBFDFZBFGIA-TVQRCGJNSA-N 0 3 320.349 0.626 20 5 DCBDHN NC[C@@H](NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418862425 262293832 /nfs/dbraw/zinc/29/38/32/262293832.db2.gz GCNFSCJCEZEPAQ-CYBMUJFWSA-N 0 3 320.349 0.107 20 5 DCBDHN Cn1cc([C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]2N)cn1 ZINC000424231782 262487114 /nfs/dbraw/zinc/48/71/14/262487114.db2.gz GMCCVBWYPDRHGW-QWHCGFSZSA-N 0 3 315.333 0.895 20 5 DCBDHN CO[C@@H]1COC[C@@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459836980 272014232 /nfs/dbraw/zinc/01/42/32/272014232.db2.gz ZTFXMVYIYXJUGV-FPMFFAJLSA-N 0 3 312.322 0.338 20 5 DCBDHN CC(COC(=O)COC1CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000495954012 272284434 /nfs/dbraw/zinc/28/44/34/272284434.db2.gz YLGJPXWEDMVWOB-VIFPVBQESA-N 0 3 318.326 0.831 20 5 DCBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000523660981 272559426 /nfs/dbraw/zinc/55/94/26/272559426.db2.gz NGWIXPNCHUSVIA-LBPRGKRZSA-N 0 3 323.397 0.689 20 5 DCBDHN CN1CC[C@@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC000290985361 290160089 /nfs/dbraw/zinc/16/00/89/290160089.db2.gz SHESSCWXNPNHOI-KOLCDFICSA-N 0 3 305.338 0.619 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C ZINC000366305596 301860260 /nfs/dbraw/zinc/86/02/60/301860260.db2.gz KPJXMVNUNNDYJW-IAZYJMLFSA-N 0 3 311.363 0.708 20 5 DCBDHN CN1CC[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000582721096 337125011 /nfs/dbraw/zinc/12/50/11/337125011.db2.gz UGCJUJQNEPWAFX-LLVKDONJSA-N 0 3 306.322 0.744 20 5 DCBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000267016638 521748439 /nfs/dbraw/zinc/74/84/39/521748439.db2.gz IZNIVTKWZQKATG-UHFFFAOYSA-N 0 3 302.356 0.240 20 5 DCBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189645250 523585230 /nfs/dbraw/zinc/58/52/30/523585230.db2.gz XLQWBHXOFKCMPO-UHFFFAOYSA-N 0 3 310.354 0.875 20 5 DCBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000190899835 524964773 /nfs/dbraw/zinc/96/47/73/524964773.db2.gz TWYBHKCLTHIXSF-MBNYWOFBSA-N 0 3 310.350 0.895 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(n3ccnc3)CC2)c1 ZINC000266775216 527415756 /nfs/dbraw/zinc/41/57/56/527415756.db2.gz YBLPESGVRVCGCL-CQSZACIVSA-N 0 3 320.353 0.686 20 5 DCBDHN C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825856589 607737686 /nfs/dbraw/zinc/73/76/86/607737686.db2.gz XVSALZCUXPJNBN-ZDUSSCGKSA-N 0 3 321.341 0.499 20 5 DCBDHN C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825856589 607737687 /nfs/dbraw/zinc/73/76/87/607737687.db2.gz XVSALZCUXPJNBN-ZDUSSCGKSA-N 0 3 321.341 0.499 20 5 DCBDHN [NH3+]CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237992692 665421832 /nfs/dbraw/zinc/42/18/32/665421832.db2.gz CPBJHUSAQWMGLI-UHFFFAOYSA-N 0 3 324.156 0.594 20 5 DCBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccns3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778979 659554878 /nfs/dbraw/zinc/55/48/78/659554878.db2.gz YKEZLCDAYDBGJZ-ZIQFBCGOSA-N 0 3 308.363 0.355 20 5 DCBDHN CN1C[C@H](O)C[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000924993841 661846227 /nfs/dbraw/zinc/84/62/27/661846227.db2.gz WNGNVZATNAWTNU-HMJDLUCASA-N 0 3 305.334 0.789 20 5 DCBDHN CN(CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000924996742 661849789 /nfs/dbraw/zinc/84/97/89/661849789.db2.gz BHFPUDMVUUPWIJ-UHFFFAOYSA-N 0 3 301.730 0.902 20 5 DCBDHN Cc1ccc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)n1 ZINC001031661935 665273481 /nfs/dbraw/zinc/27/34/81/665273481.db2.gz NLLNEVJTEJGSML-HUUCEWRRSA-N 0 3 318.377 0.912 20 5 DCBDHN Cc1cc(C(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]n1 ZINC000944821589 666532335 /nfs/dbraw/zinc/53/23/35/666532335.db2.gz MBALLRQTDWUPCT-ZYHUDNBSSA-N 0 3 321.337 0.104 20 5 DCBDHN Cc1cc(C(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n[nH]1 ZINC000944821589 666532336 /nfs/dbraw/zinc/53/23/36/666532336.db2.gz MBALLRQTDWUPCT-ZYHUDNBSSA-N 0 3 321.337 0.104 20 5 DCBDHN CCc1nnc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000996428447 666790465 /nfs/dbraw/zinc/79/04/65/666790465.db2.gz DMJIMBZVEUISNF-GHMZBOCLSA-N 0 3 323.353 0.378 20 5 DCBDHN O=C1COC[C@]2(CNCc3cccc([N+](=O)[O-])c3)COCCN12 ZINC000865801240 667349047 /nfs/dbraw/zinc/34/90/47/667349047.db2.gz SLWZYJUFYKNDPR-HNNXBMFYSA-N 0 3 321.333 0.312 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000885859921 667712918 /nfs/dbraw/zinc/71/29/18/667712918.db2.gz CZAMMKCVNOUNQN-LBPRGKRZSA-N 0 3 322.365 0.916 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2C[C@H](O)CC3(CCOCC3)C2)n1 ZINC000880582629 669243349 /nfs/dbraw/zinc/24/33/49/669243349.db2.gz ALDGSLZINJZVAO-GFCCVEGCSA-N 0 3 310.354 0.655 20 5 DCBDHN CCN1CCN(C(=O)CC2CCN(CC[N+](=O)[O-])CC2)CC1 ZINC000791054381 669590334 /nfs/dbraw/zinc/59/03/34/669590334.db2.gz ZYMMUXOOFCKCPF-UHFFFAOYSA-N 0 3 312.414 0.529 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935980321 669806347 /nfs/dbraw/zinc/80/63/47/669806347.db2.gz HWOLFMMAXBYOBU-BNOWGMLFSA-N 0 3 307.350 0.737 20 5 DCBDHN Nc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000808157405 670393852 /nfs/dbraw/zinc/39/38/52/670393852.db2.gz WKTJCWHRKVVIGI-NEPJUHHUSA-N 0 3 320.349 0.458 20 5 DCBDHN O=C1OC[C@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000860156031 671184406 /nfs/dbraw/zinc/18/44/06/671184406.db2.gz CRNPGHPITOIBOD-MPKXVKKWSA-N 0 3 322.317 0.439 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000828958386 671564319 /nfs/dbraw/zinc/56/43/19/671564319.db2.gz DQIGOPSBISATBL-NWDGAFQWSA-N 0 3 307.354 0.795 20 5 DCBDHN CN(CCO)CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829750684 671587648 /nfs/dbraw/zinc/58/76/48/671587648.db2.gz TVXZOFIHNHJAEF-ZIAGYGMSSA-N 0 3 307.350 0.739 20 5 DCBDHN CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC[NH2+]1 ZINC001575728735 1164123736 /nfs/dbraw/zinc/12/37/36/1164123736.db2.gz LRKPELOJTBBNEB-UHFFFAOYSA-N 0 3 318.341 0.545 20 5 DCBDHN CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[NH2+]1 ZINC001575728735 1164123739 /nfs/dbraw/zinc/12/37/39/1164123739.db2.gz LRKPELOJTBBNEB-UHFFFAOYSA-N 0 3 318.341 0.545 20 5 DCBDHN C[C@]1(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CNCCO1 ZINC001576507731 1164369662 /nfs/dbraw/zinc/36/96/62/1164369662.db2.gz FDKANYBDJFZRMZ-TZMCWYRMSA-N 0 3 309.322 0.123 20 5 DCBDHN Cc1cc(OCC(=O)NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001579639844 1165368295 /nfs/dbraw/zinc/36/82/95/1165368295.db2.gz VHCRPNHKPVGSGF-GFCCVEGCSA-N 0 3 309.322 0.387 20 5 DCBDHN C[C@@H]([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H](C)CO ZINC001589887247 1166707616 /nfs/dbraw/zinc/70/76/16/1166707616.db2.gz PWOSHGDUUMZIQR-RKDXNWHRSA-N 0 3 306.326 0.881 20 5 DCBDHN C[C@@H]([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H](C)CO ZINC001589887247 1166707619 /nfs/dbraw/zinc/70/76/19/1166707619.db2.gz PWOSHGDUUMZIQR-RKDXNWHRSA-N 0 3 306.326 0.881 20 5 DCBDHN O=[N+]([O-])c1cnc(N[C@@H]2C[NH+]3CCC2CC3)c(-c2nnn[n-]2)c1 ZINC001593484562 1167867908 /nfs/dbraw/zinc/86/79/08/1167867908.db2.gz FROUKXWKFYXGAO-LLVKDONJSA-N 0 3 316.325 0.676 20 5 DCBDHN O=[N+]([O-])c1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1-c1nnn[n-]1 ZINC001607078889 1170382755 /nfs/dbraw/zinc/38/27/55/1170382755.db2.gz QWSNEAPRPNVYPX-IUCAKERBSA-N 0 3 301.310 0.431 20 5 DCBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001622032593 1171417215 /nfs/dbraw/zinc/41/72/15/1171417215.db2.gz GTOAWDVYRAZOAE-GHMZBOCLSA-N 0 3 314.367 0.751 20 5 DCBDHN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC(N[C@H]2CCOC2)C1 ZINC001645427203 1172041543 /nfs/dbraw/zinc/04/15/43/1172041543.db2.gz ZZRYWRGKWNWRGS-VIFPVBQESA-N 0 3 309.297 0.937 20 5 DCBDHN O=C(N[C@H]1CCC[C@H]1N1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001650739564 1173730504 /nfs/dbraw/zinc/73/05/04/1173730504.db2.gz NOKLUGVTEOBVTP-CMPLNLGQSA-N 0 3 323.353 0.426 20 5 DCBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@H](CO)[C@H](CCO)C1 ZINC001655898378 1173830770 /nfs/dbraw/zinc/83/07/70/1173830770.db2.gz IJFZZGWFFJOKFI-CHWSQXEVSA-N 0 3 310.350 0.896 20 5 DCBDHN CCNC(=O)CC(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001753181308 1185173973 /nfs/dbraw/zinc/17/39/73/1185173973.db2.gz DUYJGFOSVXYUOJ-UHFFFAOYSA-N 0 3 322.365 0.669 20 5 DCBDHN CCN(CCNCc1cc2n(n1)CCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732775132 1185961408 /nfs/dbraw/zinc/96/14/08/1185961408.db2.gz PQFVLHOYVZUKKE-ZIAGYGMSSA-N 0 3 321.381 0.433 20 5 DCBDHN O=C(NCC1(O)CN(CC2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001733500489 1186308976 /nfs/dbraw/zinc/30/89/76/1186308976.db2.gz SGXGIIZUNRJJEB-CHWSQXEVSA-N 0 3 311.382 0.395 20 5 DCBDHN CN1CCNC[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212224453 751358374 /nfs/dbraw/zinc/35/83/74/751358374.db2.gz MORMGUQFFWIQQR-VIFPVBQESA-N 0 3 308.273 0.755 20 5 DCBDHN Cn1oc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1=O ZINC001126292175 748385591 /nfs/dbraw/zinc/38/55/91/748385591.db2.gz NGGQYHQWJUQXRN-UHFFFAOYSA-N 0 3 320.305 0.406 20 5 DCBDHN Cn1ncc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])n1 ZINC001168325826 749917995 /nfs/dbraw/zinc/91/79/95/749917995.db2.gz CLJMUTILAIWKCF-UHFFFAOYSA-N 0 3 318.337 0.633 20 5 DCBDHN Cc1nc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)co1 ZINC001048814333 754956560 /nfs/dbraw/zinc/95/65/60/754956560.db2.gz FCSQIUMLENCCDG-ZMJPVWNMSA-N 0 3 320.349 0.538 20 5 DCBDHN CN1CCN(C[C@@H](O)CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001120467864 767026956 /nfs/dbraw/zinc/02/69/56/767026956.db2.gz NRANBHFONSIKPJ-AWEZNQCLSA-N 0 3 308.382 0.293 20 5 DCBDHN Cc1cc(Cl)nc([N-][C@@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155570247 770547692 /nfs/dbraw/zinc/54/76/92/770547692.db2.gz LJZUHYDQPVQMDB-MADCSZMMSA-N 0 3 311.729 0.942 20 5 DCBDHN CN1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC001159367139 771902261 /nfs/dbraw/zinc/90/22/61/771902261.db2.gz WNHDOUZYOXENOW-UHFFFAOYSA-N 0 3 319.365 0.309 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1CNCCO1 ZINC001159488626 771917862 /nfs/dbraw/zinc/91/78/62/771917862.db2.gz FFPQCWBXBSCGLF-LDYMZIIASA-N 0 3 310.310 0.565 20 5 DCBDHN COc1nc(NCCCN2CCN(C)CC2)nc(C)c1[N+](=O)[O-] ZINC001161700469 772268183 /nfs/dbraw/zinc/26/81/83/772268183.db2.gz CXEGTGMLLQHHIT-UHFFFAOYSA-N 0 3 324.385 0.751 20 5 DCBDHN COc1cc(NCc2nnn3c2CNCCC3)cnc1[N+](=O)[O-] ZINC001162978008 772438834 /nfs/dbraw/zinc/43/88/34/772438834.db2.gz SODFFNNDXUHYIR-UHFFFAOYSA-N 0 3 319.325 0.695 20 5 DCBDHN CS(=O)(=O)N(c1cnc2cc([N+](=O)[O-])ccc2n1)C1CNC1 ZINC001166968229 772892726 /nfs/dbraw/zinc/89/27/26/772892726.db2.gz RJBOXLKAIWVDCN-UHFFFAOYSA-N 0 3 323.334 0.276 20 5 DCBDHN Cc1cc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n[nH]1 ZINC001066944812 776519164 /nfs/dbraw/zinc/51/91/64/776519164.db2.gz QBDJLXBWEGFUPB-ZYHUDNBSSA-N 0 3 323.353 0.304 20 5 DCBDHN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccnc(Cl)c1 ZINC001266273534 939040598 /nfs/dbraw/zinc/04/05/98/939040598.db2.gz VWXPNFHNAUVSAQ-GHMZBOCLSA-N 0 3 312.757 0.948 20 5 DCBDHN Cc1noc(C)c1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001323438231 947082468 /nfs/dbraw/zinc/08/24/68/947082468.db2.gz YKJXSUFXRONCOH-ZYHUDNBSSA-N 0 3 308.338 0.695 20 5 DCBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC2CCN([C@H]3CCOC3)CC2)n1 ZINC001328827369 949120062 /nfs/dbraw/zinc/12/00/62/949120062.db2.gz IHXRXKDHKUQIKR-NSHDSACASA-N 0 3 323.353 0.311 20 5 DCBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC001334868486 952405285 /nfs/dbraw/zinc/40/52/85/952405285.db2.gz QFJYSMRRADCFBX-GFCCVEGCSA-N 0 3 320.349 0.453 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341098893 953210090 /nfs/dbraw/zinc/21/00/90/953210090.db2.gz WNNQVQXKOHRWAI-MELADBBJSA-N 0 3 305.334 0.803 20 5 DCBDHN CN(CC(=O)N[C@@H]1COC2(CNC2)C1)c1ccccc1[N+](=O)[O-] ZINC001342125483 953271331 /nfs/dbraw/zinc/27/13/31/953271331.db2.gz JMHYGRQMNJPJRS-NSHDSACASA-N 0 3 320.349 0.278 20 5 DCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)CNCCO2 ZINC001345121136 953596887 /nfs/dbraw/zinc/59/68/87/953596887.db2.gz WDSHYPPCMKQCIZ-UHFFFAOYSA-N 0 3 320.349 0.893 20 5 DCBDHN C[C@H](CNC(=O)[C@H]1CNCCN1C)c1ccccc1[N+](=O)[O-] ZINC001355316821 956633081 /nfs/dbraw/zinc/63/30/81/956633081.db2.gz SFBGVSFTCKTQFG-BXUZGUMPSA-N 0 3 306.366 0.718 20 5 DCBDHN Cc1nc(C)c(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001492250569 959756260 /nfs/dbraw/zinc/75/62/60/959756260.db2.gz XZYAVPFIZRSVRK-GHMZBOCLSA-N 0 3 312.395 0.973 20 5 DCBDHN O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001471641801 1016616863 /nfs/dbraw/zinc/61/68/63/1016616863.db2.gz VYIHKINFSCUKEM-UONOGXRCSA-N 0 3 305.334 0.876 20 5 DCBDHN CN(C)CCOCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000349727486 282107292 /nfs/dbraw/zinc/10/72/92/282107292.db2.gz RRJQMIPZRVYHTM-UHFFFAOYSA-N 0 3 310.354 0.701 20 5 DCBDHN CN(C1CNC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000090289928 185289597 /nfs/dbraw/zinc/28/95/97/185289597.db2.gz PYBMOCFYLIGEIH-UHFFFAOYSA-N 0 3 305.743 0.841 20 5 DCBDHN N[C@H]1C[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CCN2C1=O ZINC000566630134 291316169 /nfs/dbraw/zinc/31/61/69/291316169.db2.gz OOJIAYFSHLMCLA-ONGXEEELSA-N 0 3 317.349 0.311 20 5 DCBDHN N[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000423616132 240225151 /nfs/dbraw/zinc/22/51/51/240225151.db2.gz VTUHLYLMIJUULC-WDEREUQCSA-N 0 3 301.306 0.885 20 5 DCBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)COc2ccccc2F)c1 ZINC000567262138 291345795 /nfs/dbraw/zinc/34/57/95/291345795.db2.gz CLRWCDYGHLKKJX-LBPRGKRZSA-N 0 3 324.312 0.960 20 5 DCBDHN NC(=O)c1ccnc(NC[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000567531013 291360446 /nfs/dbraw/zinc/36/04/46/291360446.db2.gz XQKPBJKVCDJLSM-VIFPVBQESA-N 0 3 305.338 0.985 20 5 DCBDHN COc1ccc(CNC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000264791318 204158844 /nfs/dbraw/zinc/15/88/44/204158844.db2.gz XDAWKPIWLACQCE-ZDUSSCGKSA-N 0 3 308.382 0.939 20 5 DCBDHN O=C(NC1CNC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000571506860 291517797 /nfs/dbraw/zinc/51/77/97/291517797.db2.gz JONBNEMHDPJSDB-UHFFFAOYSA-N 0 3 318.333 0.174 20 5 DCBDHN CN(C)[C@@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000573282349 291622120 /nfs/dbraw/zinc/62/21/20/291622120.db2.gz BQRLNMOQPLBMGJ-STQMWFEESA-N 0 3 323.353 0.638 20 5 DCBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000339247806 253046433 /nfs/dbraw/zinc/04/64/33/253046433.db2.gz XIUWJUZORMKUOV-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN Cc1n[nH]c(C(=O)NCC2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000340280476 253229645 /nfs/dbraw/zinc/22/96/45/253229645.db2.gz UZTUXDXSUNSMIX-UHFFFAOYSA-N 0 3 311.342 0.060 20 5 DCBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346185072 254020545 /nfs/dbraw/zinc/02/05/45/254020545.db2.gz NSULXDRDCMOBFD-QJPTWQEYSA-N 0 3 322.369 0.375 20 5 DCBDHN CN(C)CCOCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000349740439 254295184 /nfs/dbraw/zinc/29/51/84/254295184.db2.gz ACLKGPRKGABJCX-UHFFFAOYSA-N 0 3 321.337 0.779 20 5 DCBDHN CCN(C)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000118109731 395860266 /nfs/dbraw/zinc/86/02/66/395860266.db2.gz FXWDSVXBIJBYMD-UHFFFAOYSA-N 0 3 308.338 0.910 20 5 DCBDHN COCCNCCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000271162277 395843454 /nfs/dbraw/zinc/84/34/54/395843454.db2.gz SGSZDGXUZOYIDN-UHFFFAOYSA-N 0 3 311.338 0.716 20 5 DCBDHN COCCN(C)CCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000194192167 395791020 /nfs/dbraw/zinc/79/10/20/395791020.db2.gz WVEHBTXABLLBLN-UHFFFAOYSA-N 0 3 313.358 0.335 20 5 DCBDHN CN(C)CCN1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000074165191 396159069 /nfs/dbraw/zinc/15/90/69/396159069.db2.gz KVKXPAOICLUWJB-LLVKDONJSA-N 0 3 320.349 0.943 20 5 DCBDHN CCN(C)C[C@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000516315661 396513234 /nfs/dbraw/zinc/51/32/34/396513234.db2.gz QTZSXBJJMZMDQQ-QMMMGPOBSA-N 0 3 312.351 0.679 20 5 DCBDHN C[C@@H](O)[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000581245983 396536875 /nfs/dbraw/zinc/53/68/75/396536875.db2.gz COEFEOPJUDULLG-VHSXEESVSA-N 0 3 317.367 0.232 20 5 DCBDHN O=C1C[C@@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CN1 ZINC000595374760 396597430 /nfs/dbraw/zinc/59/74/30/396597430.db2.gz JILBDJAIJXQRBO-MNOVXSKESA-N 0 3 305.338 0.612 20 5 DCBDHN O=C1COc2ccc(CNCCn3cc([N+](=O)[O-])cn3)cc2N1 ZINC000293495677 396613344 /nfs/dbraw/zinc/61/33/44/396613344.db2.gz BCPHLTIRVOQJLM-UHFFFAOYSA-N 0 3 317.305 0.912 20 5 DCBDHN O=C1CCCN1C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595827280 396668289 /nfs/dbraw/zinc/66/82/89/396668289.db2.gz BHHMUTKCKJVFLV-GFCCVEGCSA-N 0 3 307.354 0.736 20 5 DCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](CO)CN1CCCC1 ZINC000588869323 396696812 /nfs/dbraw/zinc/69/68/12/396696812.db2.gz MPIJZQLCHJLHGN-ZDUSSCGKSA-N 0 3 307.350 0.710 20 5 DCBDHN CN1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596055719 396712682 /nfs/dbraw/zinc/71/26/82/396712682.db2.gz LPROQDGLYVTBDQ-UHFFFAOYSA-N 0 3 314.367 0.384 20 5 DCBDHN CN1CCN(CCC(C)(C)Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000302244335 396718890 /nfs/dbraw/zinc/71/88/90/396718890.db2.gz KCFUYZLPXPECAS-UHFFFAOYSA-N 0 3 323.401 0.795 20 5 DCBDHN COC(=O)c1cc(C)nc(N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000596244985 396742345 /nfs/dbraw/zinc/74/23/45/396742345.db2.gz UCJSLFVRITXIEB-SECBINFHSA-N 0 3 312.326 0.419 20 5 DCBDHN O=C1CCC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])N1 ZINC000591763689 396999209 /nfs/dbraw/zinc/99/92/09/396999209.db2.gz BNHQNIABXZFHGU-VXGBXAGGSA-N 0 3 323.349 0.593 20 5 DCBDHN Cc1c(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000572016421 397013090 /nfs/dbraw/zinc/01/30/90/397013090.db2.gz VDVVJHJHOQIMCI-CHWSQXEVSA-N 0 3 304.350 0.647 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCOC2)cc1 ZINC000612610453 397103295 /nfs/dbraw/zinc/10/32/95/397103295.db2.gz HVQFOWNSIIHVKT-NSHDSACASA-N 0 3 314.363 0.995 20 5 DCBDHN CCCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C)C1 ZINC000591989628 397054238 /nfs/dbraw/zinc/05/42/38/397054238.db2.gz MAEPGTOWHDZBIU-LBPRGKRZSA-N 0 3 324.385 0.917 20 5 DCBDHN COC(=O)[C@@H]1C[C@@H](O)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592198314 397123684 /nfs/dbraw/zinc/12/36/84/397123684.db2.gz NMSOAYAYHGYWLJ-TZMCWYRMSA-N 0 3 308.334 0.993 20 5 DCBDHN O=C(CN1CCNCC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000602438437 397401165 /nfs/dbraw/zinc/40/11/65/397401165.db2.gz QMNOVLLNLADHDL-UHFFFAOYSA-N 0 3 307.354 0.028 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)CN1CCOCC1 ZINC000602819404 397495075 /nfs/dbraw/zinc/49/50/75/397495075.db2.gz AXHLQUDGMXMZJA-GFCCVEGCSA-N 0 3 311.386 0.752 20 5 DCBDHN Cn1c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938620 397545983 /nfs/dbraw/zinc/54/59/83/397545983.db2.gz QXIWQUQSVFRUEE-MNOVXSKESA-N 0 3 308.338 0.214 20 5 DCBDHN Cc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000579972671 397601678 /nfs/dbraw/zinc/60/16/78/397601678.db2.gz FTLDTMASHCWBCK-VXGBXAGGSA-N 0 3 318.333 0.287 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000131866918 158305815 /nfs/dbraw/zinc/30/58/15/158305815.db2.gz AELCUEGTBMTPLJ-SECBINFHSA-N 0 3 315.351 0.491 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]C[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000131867145 158305977 /nfs/dbraw/zinc/30/59/77/158305977.db2.gz AELCUEGTBMTPLJ-VIFPVBQESA-N 0 3 315.351 0.491 20 5 DCBDHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000261895226 158751342 /nfs/dbraw/zinc/75/13/42/158751342.db2.gz OFQWNUYBQWCGNG-AWEZNQCLSA-N 0 3 322.365 0.653 20 5 DCBDHN NC(=O)c1ccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000316982160 159003727 /nfs/dbraw/zinc/00/37/27/159003727.db2.gz DCBZOQVEZFNNTD-SUHUHFCYSA-N 0 3 305.334 0.896 20 5 DCBDHN COc1c(C(=O)NC[C@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000318454972 159006394 /nfs/dbraw/zinc/00/63/94/159006394.db2.gz GWOKVHWSFPZAMB-AWEZNQCLSA-N 0 3 311.338 0.646 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCOCCN(C)C)n1 ZINC000318998446 159007354 /nfs/dbraw/zinc/00/73/54/159007354.db2.gz OUQAYXMBBFCMOJ-UHFFFAOYSA-N 0 3 312.326 0.767 20 5 DCBDHN NC(=O)c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000321654738 159010715 /nfs/dbraw/zinc/01/07/15/159010715.db2.gz QDNRZFJAOSIGFM-NWDGAFQWSA-N 0 3 320.349 0.969 20 5 DCBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000367908556 159364084 /nfs/dbraw/zinc/36/40/84/159364084.db2.gz VWACOKJURKVNQG-WDEREUQCSA-N 0 3 321.337 0.396 20 5 DCBDHN C[C@@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCN1C ZINC000343433709 415598381 /nfs/dbraw/zinc/59/83/81/415598381.db2.gz GSXWOAWNPUGBIT-PWSUYJOCSA-N 0 3 308.338 0.355 20 5 DCBDHN CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCN(C)C1 ZINC000153932648 415989686 /nfs/dbraw/zinc/98/96/86/415989686.db2.gz FFUSYONSQCKECC-LLVKDONJSA-N 0 3 308.338 0.309 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000312644029 416106098 /nfs/dbraw/zinc/10/60/98/416106098.db2.gz DNIZXZJWUDCMGA-MRVPVSSYSA-N 0 3 303.340 0.619 20 5 DCBDHN COCCNCCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415500885 416345844 /nfs/dbraw/zinc/34/58/44/416345844.db2.gz LVTJTNNVIINWQK-UHFFFAOYSA-N 0 3 312.326 0.961 20 5 DCBDHN [NH3+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237992965 416329568 /nfs/dbraw/zinc/32/95/68/416329568.db2.gz CTADTEYAUOXODH-UHFFFAOYSA-N 0 3 313.257 0.851 20 5 DCBDHN CCCN1CC[C@@H](NC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000598341891 416602389 /nfs/dbraw/zinc/60/23/89/416602389.db2.gz HVAHZFMLYMUGRS-SNVBAGLBSA-N 0 3 307.354 1.246 20 5 DCBDHN CNc1nccc(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598572938 416604696 /nfs/dbraw/zinc/60/46/96/416604696.db2.gz NHPXNGNCTHXSHB-LLVKDONJSA-N 0 3 307.354 1.102 20 5 DCBDHN COCCN1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000547730193 416681019 /nfs/dbraw/zinc/68/10/19/416681019.db2.gz MUMUKQYJSPYMBF-UHFFFAOYSA-N 0 3 323.353 0.413 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545312820 416673275 /nfs/dbraw/zinc/67/32/75/416673275.db2.gz GGONFFSIPDPKLZ-LBPRGKRZSA-N 0 3 323.397 0.689 20 5 DCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000518230038 416846854 /nfs/dbraw/zinc/84/68/54/416846854.db2.gz PBNIPZZDZCDBGB-OAHLLOKOSA-N 0 3 305.334 0.781 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CC[S@@](=O)C1 ZINC000521863244 417028969 /nfs/dbraw/zinc/02/89/69/417028969.db2.gz VHDLRKIADWFPHQ-WIFINTHYSA-N 0 3 314.363 0.445 20 5 DCBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429789341 416997399 /nfs/dbraw/zinc/99/73/99/416997399.db2.gz RTZLECUVCTTZMV-VXGBXAGGSA-N 0 3 320.349 0.698 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCNCC1 ZINC000415306900 417363837 /nfs/dbraw/zinc/36/38/37/417363837.db2.gz JBNQSFDSHJFPNH-UHFFFAOYSA-N 0 3 306.322 0.664 20 5 DCBDHN C[C@H](NC[C@@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451100072 417298078 /nfs/dbraw/zinc/29/80/78/417298078.db2.gz PTQLDPXLARIDFR-SWLSCSKDSA-N 0 3 309.366 0.939 20 5 DCBDHN CNc1nc(C(=O)NCCN(C)CCOC)ccc1[N+](=O)[O-] ZINC000455366459 417601104 /nfs/dbraw/zinc/60/11/04/417601104.db2.gz NRICJYOPFVYLBR-UHFFFAOYSA-N 0 3 311.342 0.340 20 5 DCBDHN CNc1nc(C(=O)NCCOCCN(C)C)ccc1[N+](=O)[O-] ZINC000455992229 417621541 /nfs/dbraw/zinc/62/15/41/417621541.db2.gz JQFYLIQOQHBEBM-UHFFFAOYSA-N 0 3 311.342 0.340 20 5 DCBDHN COC(=O)CNC(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102212 287455708 /nfs/dbraw/zinc/45/57/08/287455708.db2.gz BPAIZUAJFWQRDX-JTQLQIEISA-N 0 3 309.322 0.925 20 5 DCBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000359499996 271121733 /nfs/dbraw/zinc/12/17/33/271121733.db2.gz NSYARZFNCHNLOI-UHFFFAOYSA-N 0 3 319.325 0.582 20 5 DCBDHN CNc1c(C(=O)NC[C@@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000360926644 271165541 /nfs/dbraw/zinc/16/55/41/271165541.db2.gz WYPMHYVHMWPAHS-AWEZNQCLSA-N 0 3 308.338 0.433 20 5 DCBDHN CN1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@H](CN)C1 ZINC000493689097 272204764 /nfs/dbraw/zinc/20/47/64/272204764.db2.gz QQEZWARWMQNXRG-HSBHDXMMSA-N 0 3 322.340 0.848 20 5 DCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])s1 ZINC000552026963 288260674 /nfs/dbraw/zinc/26/06/74/288260674.db2.gz NRJMPYLHEKXSHV-CYBMUJFWSA-N 0 3 311.363 0.843 20 5 DCBDHN C[C@H](C[S@](C)=O)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563530181 288683084 /nfs/dbraw/zinc/68/30/84/288683084.db2.gz CUOTYRUWSNHSLF-BJFPOWJFSA-N 0 3 316.379 0.691 20 5 DCBDHN Cn1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000563647182 288695415 /nfs/dbraw/zinc/69/54/15/288695415.db2.gz AKFCVZBIXQEYAU-LBPRGKRZSA-N 0 3 306.322 0.858 20 5 DCBDHN O=C(Nc1nc(N2CCNCC2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000575121870 332618487 /nfs/dbraw/zinc/61/84/87/332618487.db2.gz KRYYIXKVARQGOF-UHFFFAOYSA-N 0 3 317.309 0.375 20 5 DCBDHN N[C@H]1C[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000582432000 336975214 /nfs/dbraw/zinc/97/52/14/336975214.db2.gz YOGJJNBUTRTLJS-WPRPVWTQSA-N 0 3 310.741 0.996 20 5 DCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@]1(O)CN2CCC1CC2 ZINC000583278933 337302533 /nfs/dbraw/zinc/30/25/33/337302533.db2.gz ZIHZPRQYMHFGPC-MRXNPFEDSA-N 0 3 319.361 0.710 20 5 DCBDHN O=C(CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000577172334 341893601 /nfs/dbraw/zinc/89/36/01/341893601.db2.gz PUPFKMBAGRDXIY-GFCCVEGCSA-N 0 3 323.349 0.547 20 5 DCBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298958297 517654868 /nfs/dbraw/zinc/65/48/68/517654868.db2.gz BJIGGRPITIZJPQ-GFCCVEGCSA-N 0 3 323.397 0.926 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000269914519 521855196 /nfs/dbraw/zinc/85/51/96/521855196.db2.gz QBEZIJMEHPOERM-HNNXBMFYSA-N 0 3 324.381 0.749 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000157375140 526087953 /nfs/dbraw/zinc/08/79/53/526087953.db2.gz JCRRTFKLVPOEDL-LLVKDONJSA-N 0 3 315.351 0.170 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(n3ccnc3)CC2)c1 ZINC000266775214 527415777 /nfs/dbraw/zinc/41/57/77/527415777.db2.gz YBLPESGVRVCGCL-AWEZNQCLSA-N 0 3 320.353 0.686 20 5 DCBDHN O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000738367960 598498748 /nfs/dbraw/zinc/49/87/48/598498748.db2.gz ACBOTMUSWHDJOB-VIFPVBQESA-N 0 3 316.325 0.454 20 5 DCBDHN O=[N+]([O-])c1cnc(N2CC[N@H+]3CCC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000738367960 598498750 /nfs/dbraw/zinc/49/87/50/598498750.db2.gz ACBOTMUSWHDJOB-VIFPVBQESA-N 0 3 316.325 0.454 20 5 DCBDHN O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCC[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC000738367960 598498752 /nfs/dbraw/zinc/49/87/52/598498752.db2.gz ACBOTMUSWHDJOB-VIFPVBQESA-N 0 3 316.325 0.454 20 5 DCBDHN O=[N+]([O-])c1cnc(N2CC[N@H+]3CCC[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC000738367960 598498754 /nfs/dbraw/zinc/49/87/54/598498754.db2.gz ACBOTMUSWHDJOB-VIFPVBQESA-N 0 3 316.325 0.454 20 5 DCBDHN Cc1nc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)oc1C ZINC000983647651 661996515 /nfs/dbraw/zinc/99/65/15/661996515.db2.gz BDXDPGKCBNYIJH-FDYHWXHSSA-N 0 3 322.365 0.941 20 5 DCBDHN CN(Cc1nccn1C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431212 662443313 /nfs/dbraw/zinc/44/33/13/662443313.db2.gz ONHBFBLUWXVBMB-CHWSQXEVSA-N 0 3 321.381 0.508 20 5 DCBDHN CC(C)=CCN1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000941407431 665991357 /nfs/dbraw/zinc/99/13/57/665991357.db2.gz RIUBGEWEDGICBO-HUUCEWRRSA-N 0 3 322.409 0.446 20 5 DCBDHN CN1CC[C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000841523348 667689103 /nfs/dbraw/zinc/68/91/03/667689103.db2.gz BDXPWXURQXOZGF-MRVPVSSYSA-N 0 3 305.381 0.886 20 5 DCBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000885873813 667715124 /nfs/dbraw/zinc/71/51/24/667715124.db2.gz ZQVDRUZQOAVVIO-LBPRGKRZSA-N 0 3 320.349 0.973 20 5 DCBDHN Nc1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC000808218504 670399699 /nfs/dbraw/zinc/39/96/99/670399699.db2.gz IUJUSUXJDLLSOT-NSHDSACASA-N 0 3 308.338 0.364 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000808225294 670399976 /nfs/dbraw/zinc/39/99/76/670399976.db2.gz ZZWZJLZQSKRVGM-JTQLQIEISA-N 0 3 308.338 0.364 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000808225295 670400369 /nfs/dbraw/zinc/40/03/69/670400369.db2.gz ZZWZJLZQSKRVGM-SNVBAGLBSA-N 0 3 308.338 0.364 20 5 DCBDHN CC(COC(=O)Cc1nn(C)c(=O)c2ccccc12)[N+](=O)[O-] ZINC000813111405 670611579 /nfs/dbraw/zinc/61/15/79/670611579.db2.gz TXVKGFZTUMSNQG-SECBINFHSA-N 0 3 305.290 0.684 20 5 DCBDHN CC(COC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[N+](=O)[O-] ZINC000813112310 670612865 /nfs/dbraw/zinc/61/28/65/670612865.db2.gz PKTHFTHKEHOPMZ-SECBINFHSA-N 0 3 316.335 0.759 20 5 DCBDHN CC(=O)NC[C@H]1CCn2ncc(C(=O)OCC(C)[N+](=O)[O-])c2C1 ZINC000813112563 670613014 /nfs/dbraw/zinc/61/30/14/670613014.db2.gz IIFITMUMXYZNRT-KOLCDFICSA-N 0 3 324.337 0.404 20 5 DCBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000817118361 670897037 /nfs/dbraw/zinc/89/70/37/670897037.db2.gz TXBHBPFKINABPR-QWRGUYRKSA-N 0 3 320.349 0.969 20 5 DCBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CNCCO1 ZINC000818011246 670962229 /nfs/dbraw/zinc/96/22/29/670962229.db2.gz CZXNATHKAICMMO-SNVBAGLBSA-N 0 3 313.285 0.217 20 5 DCBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000843854574 672125178 /nfs/dbraw/zinc/12/51/78/672125178.db2.gz SWDFUQCIRZEEFI-CQSZACIVSA-N 0 3 311.313 0.839 20 5 DCBDHN CN(C)CCN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1=O ZINC000844762845 672201277 /nfs/dbraw/zinc/20/12/77/672201277.db2.gz MIXHMTSXTLDBAH-UHFFFAOYSA-N 0 3 314.386 0.054 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001304661883 1159154735 /nfs/dbraw/zinc/15/47/35/1159154735.db2.gz PHSNCWODUNSHFM-STQMWFEESA-N 0 3 308.338 0.594 20 5 DCBDHN COCC[C@@H](N)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001573976356 1163615250 /nfs/dbraw/zinc/61/52/50/1163615250.db2.gz QCASSQVHUQJUQW-CYBMUJFWSA-N 0 3 309.322 0.548 20 5 DCBDHN C[C@](N)(C(=O)NCCN1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC001576080687 1164233752 /nfs/dbraw/zinc/23/37/52/1164233752.db2.gz FWPODZQOSBUUFX-OAHLLOKOSA-N 0 3 304.350 0.757 20 5 DCBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCN[C@@H](CCO)C1 ZINC001579992951 1165463561 /nfs/dbraw/zinc/46/35/61/1165463561.db2.gz ORPRBXDUYPVEIB-ZETCQYMHSA-N 0 3 323.275 0.508 20 5 DCBDHN O=C(N[C@H]1COC2(CNC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001580622433 1165662835 /nfs/dbraw/zinc/66/28/35/1165662835.db2.gz GHACWUIQTVNGHC-SECBINFHSA-N 0 3 321.289 0.184 20 5 DCBDHN COc1ccc(CNC[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC001620964888 1167986477 /nfs/dbraw/zinc/98/64/77/1167986477.db2.gz JVBAOEJACZUPBC-LLVKDONJSA-N 0 3 307.310 0.346 20 5 DCBDHN C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001604674810 1169650128 /nfs/dbraw/zinc/65/01/28/1169650128.db2.gz CLCIWNUEVOEWNI-UHFFFAOYSA-N 0 3 318.341 0.863 20 5 DCBDHN C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001604674810 1169650134 /nfs/dbraw/zinc/65/01/34/1169650134.db2.gz CLCIWNUEVOEWNI-UHFFFAOYSA-N 0 3 318.341 0.863 20 5 DCBDHN C[NH+](C)C[C@@H](CO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604678028 1169653437 /nfs/dbraw/zinc/65/34/37/1169653437.db2.gz UJGLOTYVWUCQOW-VIFPVBQESA-N 0 3 307.314 0.109 20 5 DCBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC001645374731 1172041016 /nfs/dbraw/zinc/04/10/16/1172041016.db2.gz DPFDJCHUBCYYPA-LLVKDONJSA-N 0 3 308.338 0.906 20 5 DCBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001654229439 1173802244 /nfs/dbraw/zinc/80/22/44/1173802244.db2.gz MXJISZGIWDMXEJ-INTQDDNPSA-N 0 3 306.322 0.174 20 5 DCBDHN Cn1nnnc1CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001654503596 1173806631 /nfs/dbraw/zinc/80/66/31/1173806631.db2.gz NREDMGOEPGBUKF-ZDUSSCGKSA-N 0 3 306.326 0.158 20 5 DCBDHN CS(=O)(=O)c1cccc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC001657478772 1173912027 /nfs/dbraw/zinc/91/20/27/1173912027.db2.gz DUUIFZUBSPRAEI-UHFFFAOYSA-N 0 3 324.362 0.985 20 5 DCBDHN Cc1ncc(CN(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001733772424 1186441597 /nfs/dbraw/zinc/44/15/97/1186441597.db2.gz CFJSXEWVJCOFJT-CHWSQXEVSA-N 0 3 310.354 0.929 20 5 DCBDHN CCCc1nc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001126936412 750148224 /nfs/dbraw/zinc/14/82/24/750148224.db2.gz GKAMTHRYNIFMBD-GHMZBOCLSA-N 0 3 312.395 0.967 20 5 DCBDHN NCc1ccnn1-c1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001162593222 754466480 /nfs/dbraw/zinc/46/64/80/754466480.db2.gz DAPAPLUAVGZBSZ-UHFFFAOYSA-N 0 3 314.099 0.635 20 5 DCBDHN CN(C)C(=O)c1nn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169018376 760559609 /nfs/dbraw/zinc/55/96/09/760559609.db2.gz AVVXYEHLNMRPIC-WDEREUQCSA-N 0 3 321.381 0.849 20 5 DCBDHN NCc1cnnn1-c1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001169310242 760641820 /nfs/dbraw/zinc/64/18/20/760641820.db2.gz RNTGVRGNRAFMGW-UHFFFAOYSA-N 0 3 315.087 0.030 20 5 DCBDHN Cn1c(=O)cc(Nc2cc3c(cc2[N+](=O)[O-])CNC3)[nH]c1=O ZINC001169998552 761406055 /nfs/dbraw/zinc/40/60/55/761406055.db2.gz JBVFSXQJKXLFQY-UHFFFAOYSA-N 0 3 303.278 0.741 20 5 DCBDHN NC(=O)C1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001133185173 764863976 /nfs/dbraw/zinc/86/39/76/764863976.db2.gz XDSJYARFIVOGIO-UHFFFAOYSA-N 0 3 306.322 0.066 20 5 DCBDHN CCn1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)nn1 ZINC001135994444 766201758 /nfs/dbraw/zinc/20/17/58/766201758.db2.gz UVPOFGYDQGZGFL-UHFFFAOYSA-N 0 3 318.337 0.726 20 5 DCBDHN O=[N+]([O-])c1cnc(NCc2nnn3c2CNCCC3)c(F)c1 ZINC001155394280 770490249 /nfs/dbraw/zinc/49/02/49/770490249.db2.gz RDJNXBGGHPMWDF-UHFFFAOYSA-N 0 3 307.289 0.826 20 5 DCBDHN Nc1ncc(C(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC001159092168 771860113 /nfs/dbraw/zinc/86/01/13/771860113.db2.gz VOTFXWKEVKRMOY-NSHDSACASA-N 0 3 323.353 0.149 20 5 DCBDHN COC(=O)c1cnc(-n2cnc3c2CNCC3)c([N+](=O)[O-])c1 ZINC001164313645 772644668 /nfs/dbraw/zinc/64/46/68/772644668.db2.gz NETVMJRIPKQAJR-UHFFFAOYSA-N 0 3 303.278 0.608 20 5 DCBDHN CC(C)c1nnc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC001483732115 942771730 /nfs/dbraw/zinc/77/17/30/942771730.db2.gz DGXGJHVURQUXNB-NXEZZACHSA-N 0 3 322.369 0.332 20 5 DCBDHN Cn1ccnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001484634428 943483455 /nfs/dbraw/zinc/48/34/55/943483455.db2.gz MCNPFOIYKZUFGA-GHMZBOCLSA-N 0 3 307.354 0.214 20 5 DCBDHN CON(C)C(=O)CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001462361933 1013067359 /nfs/dbraw/zinc/06/73/59/1013067359.db2.gz PIRYIELEGPHQIF-SNVBAGLBSA-N 0 3 324.337 0.921 20 5 DCBDHN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)N1CCNCC1)C2 ZINC001262195960 947596641 /nfs/dbraw/zinc/59/66/41/947596641.db2.gz SRKDHBVVOSBUEG-UHFFFAOYSA-N 0 3 312.351 0.060 20 5 DCBDHN CN1CCNC[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001342127469 953271041 /nfs/dbraw/zinc/27/10/41/953271041.db2.gz HZKYPZWDGOMOGT-HNNXBMFYSA-N 0 3 318.377 0.989 20 5 DCBDHN COC[C@H](O)CC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001308359679 960174395 /nfs/dbraw/zinc/17/43/95/960174395.db2.gz HLAHALFLNQFMQV-SNVBAGLBSA-N 0 3 300.311 0.796 20 5 DCBDHN COC[C@H](O)CCNCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001308359679 960174402 /nfs/dbraw/zinc/17/44/02/960174402.db2.gz HLAHALFLNQFMQV-SNVBAGLBSA-N 0 3 300.311 0.796 20 5 DCBDHN O=C(NC1(CNCc2ccon2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001502623824 1016003665 /nfs/dbraw/zinc/00/36/65/1016003665.db2.gz QOLOHPHIAPXTDI-VXGBXAGGSA-N 0 3 324.337 0.095 20 5 DCBDHN CN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001440649208 1007938181 /nfs/dbraw/zinc/93/81/81/1007938181.db2.gz WZPQZBVFPILMNC-UHFFFAOYSA-N 0 3 321.381 0.544 20 5 DCBDHN CN1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001456161336 1010109209 /nfs/dbraw/zinc/10/92/09/1010109209.db2.gz XIGOGQKCKPMXBU-NSHDSACASA-N 0 3 309.370 0.983 20 5 DCBDHN CN(CCO)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001558358793 1012351386 /nfs/dbraw/zinc/35/13/86/1012351386.db2.gz FEELFPXVRJURJN-UHFFFAOYSA-N 0 3 322.365 0.823 20 5 DCBDHN COC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCO1 ZINC000279102070 214638361 /nfs/dbraw/zinc/63/83/61/214638361.db2.gz RDHWIPSGIAKBMW-OLZOCXBDSA-N 0 3 311.338 0.540 20 5 DCBDHN COC(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174652226 198365218 /nfs/dbraw/zinc/36/52/18/198365218.db2.gz QNCOBQMZCAOILK-LBPRGKRZSA-N 0 3 312.326 0.037 20 5 DCBDHN CN1CC[C@@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000290985365 283079136 /nfs/dbraw/zinc/07/91/36/283079136.db2.gz SHESSCWXNPNHOI-MWLCHTKSSA-N 0 3 305.338 0.619 20 5 DCBDHN CCOC(=O)[C@H]1NCC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000566091298 291268475 /nfs/dbraw/zinc/26/84/75/291268475.db2.gz TZHJWDYTZCJJJR-KGLIPLIRSA-N 0 3 323.349 0.857 20 5 DCBDHN CC(=O)N1CC[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000566116087 291271904 /nfs/dbraw/zinc/27/19/04/291271904.db2.gz TYNAVGSBBGBYFG-JSGCOSHPSA-N 0 3 323.349 0.545 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1C=C[C@H](CO)C1 ZINC000567111169 291337637 /nfs/dbraw/zinc/33/76/37/291337637.db2.gz MAOXQCZRGNXRTC-YNEHKIRRSA-N 0 3 308.334 0.861 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000264970103 204312998 /nfs/dbraw/zinc/31/29/98/204312998.db2.gz DXLNMZFBFRUWMB-LLVKDONJSA-N 0 3 322.369 0.071 20 5 DCBDHN CC(C(=O)NCCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000266053975 205060993 /nfs/dbraw/zinc/06/09/93/205060993.db2.gz OKJDJUJTIVCURC-VIFPVBQESA-N 0 3 300.336 0.687 20 5 DCBDHN COc1ccc(S(=O)(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000020557202 182231822 /nfs/dbraw/zinc/23/18/22/182231822.db2.gz YBCSVVUVBARNIC-UHFFFAOYSA-N 0 3 315.351 0.587 20 5 DCBDHN COc1ccc(CNCCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000106466288 194218724 /nfs/dbraw/zinc/21/87/24/194218724.db2.gz PMKLOMKVSRYAOJ-UHFFFAOYSA-N 0 3 317.367 0.632 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN(C2CC2)CC1 ZINC000065841968 184381287 /nfs/dbraw/zinc/38/12/87/184381287.db2.gz QVNZCHPWVHWDRV-UHFFFAOYSA-N 0 3 307.354 0.843 20 5 DCBDHN C[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N(C)C ZINC000340778417 253302539 /nfs/dbraw/zinc/30/25/39/253302539.db2.gz JOAXZVJJKUJLDA-QMMMGPOBSA-N 0 3 302.356 0.604 20 5 DCBDHN COc1cc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000347552185 254167219 /nfs/dbraw/zinc/16/72/19/254167219.db2.gz GOKMCTRMSOOROJ-MFKMUULPSA-N 0 3 321.337 0.907 20 5 DCBDHN CNC(=O)NC(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285235055 131150065 /nfs/dbraw/zinc/15/00/65/131150065.db2.gz GFHZSXRBBRCDPA-UHFFFAOYSA-N 0 3 308.338 0.915 20 5 DCBDHN CNS(=O)(=O)c1ccc(NCCN(C)C)c([N+](=O)[O-])c1 ZINC000015206885 395689882 /nfs/dbraw/zinc/68/98/82/395689882.db2.gz IDZBNENORZYXFB-UHFFFAOYSA-N 0 3 302.356 0.476 20 5 DCBDHN CCN(C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000091461226 395725402 /nfs/dbraw/zinc/72/54/02/395725402.db2.gz CAOZZQKURCLTCT-UHFFFAOYSA-N 0 3 302.356 0.606 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108300943 395788095 /nfs/dbraw/zinc/78/80/95/395788095.db2.gz AMJCRFJXLVFHEY-GFCCVEGCSA-N 0 3 320.349 0.357 20 5 DCBDHN CNS(=O)(=O)c1ccc(N2CCNC[C@H]2C)c([N+](=O)[O-])c1 ZINC000054375003 395898849 /nfs/dbraw/zinc/89/88/49/395898849.db2.gz USAKYEGPCSHMHF-SECBINFHSA-N 0 3 314.367 0.301 20 5 DCBDHN CC(C)N(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000151873997 395994816 /nfs/dbraw/zinc/99/48/16/395994816.db2.gz AOJRTDJFDQNKSO-UHFFFAOYSA-N 0 3 310.354 0.555 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCC[C@H](C)C1 ZINC000068203216 396048977 /nfs/dbraw/zinc/04/89/77/396048977.db2.gz CJHOLFRWFMGJAB-NSHDSACASA-N 0 3 309.370 0.948 20 5 DCBDHN CCN1CCC[C@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000177031663 396164820 /nfs/dbraw/zinc/16/48/20/396164820.db2.gz AVBRUBAQEAGJNH-LBPRGKRZSA-N 0 3 322.365 0.699 20 5 DCBDHN COC(=O)[C@]1(C)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177465434 396176855 /nfs/dbraw/zinc/17/68/55/396176855.db2.gz BSLZUQSPYUSFLY-WCQYABFASA-N 0 3 312.326 0.037 20 5 DCBDHN C[C@@H]1[C@H](C)SCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075749084 396186634 /nfs/dbraw/zinc/18/66/34/396186634.db2.gz CZVSPKSRGVHIHU-SCVCMEIPSA-N 0 3 300.384 0.978 20 5 DCBDHN CCN(CCO)CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000183951657 396279161 /nfs/dbraw/zinc/27/91/61/396279161.db2.gz MUUDMIHAYHXQBB-UHFFFAOYSA-N 0 3 311.338 0.647 20 5 DCBDHN C[C@@]1(C(N)=O)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000280722218 396216357 /nfs/dbraw/zinc/21/63/57/396216357.db2.gz KGLDDILZWOUJKL-CQSZACIVSA-N 0 3 306.322 0.391 20 5 DCBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000083244453 396314734 /nfs/dbraw/zinc/31/47/34/396314734.db2.gz DANPXCVDDVOZLS-INIZCTEOSA-N 0 3 323.393 0.762 20 5 DCBDHN NC(=O)c1ccc(CN[C@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000184845328 396308670 /nfs/dbraw/zinc/30/86/70/396308670.db2.gz CSSGFZJNQMBAFM-RYUDHWBXSA-N 0 3 320.349 0.827 20 5 DCBDHN C[C@@H](O)CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000191233011 396417394 /nfs/dbraw/zinc/41/73/94/396417394.db2.gz ZPHNVGWSRXTIKF-CHWSQXEVSA-N 0 3 324.381 0.143 20 5 DCBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000288423968 396446657 /nfs/dbraw/zinc/44/66/57/396446657.db2.gz NXQUNSPWKOTDAL-RYUDHWBXSA-N 0 3 307.354 0.877 20 5 DCBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000288423956 396446934 /nfs/dbraw/zinc/44/69/34/396446934.db2.gz NXQUNSPWKOTDAL-NEPJUHHUSA-N 0 3 307.354 0.877 20 5 DCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000560508560 396618657 /nfs/dbraw/zinc/61/86/57/396618657.db2.gz MFORAKTULLAXNJ-OAHLLOKOSA-N 0 3 305.334 0.781 20 5 DCBDHN CCc1cnccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000563013309 396693278 /nfs/dbraw/zinc/69/32/78/396693278.db2.gz IHDKMCXXEGSCOC-CQSZACIVSA-N 0 3 305.338 0.899 20 5 DCBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588863556 396695760 /nfs/dbraw/zinc/69/57/60/396695760.db2.gz QBRACHCNBULZLO-KBPBESRZSA-N 0 3 305.334 0.876 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000588864761 396697085 /nfs/dbraw/zinc/69/70/85/396697085.db2.gz QPDYJMLFJHXQSC-QMMMGPOBSA-N 0 3 301.730 0.901 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000588866142 396697318 /nfs/dbraw/zinc/69/73/18/396697318.db2.gz BTZXRNSPHOKSGN-QMMMGPOBSA-N 0 3 307.310 0.123 20 5 DCBDHN C[N@@H+]1CCC[C@@H](N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)C1 ZINC000596129261 396722409 /nfs/dbraw/zinc/72/24/09/396722409.db2.gz SEKDWEZJPYPGAZ-GFCCVEGCSA-N 0 3 321.381 0.912 20 5 DCBDHN C[N@H+]1CCC[C@@H](N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)C1 ZINC000596129261 396722413 /nfs/dbraw/zinc/72/24/13/396722413.db2.gz SEKDWEZJPYPGAZ-GFCCVEGCSA-N 0 3 321.381 0.912 20 5 DCBDHN C[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000596542241 396792713 /nfs/dbraw/zinc/79/27/13/396792713.db2.gz OMPFAIMJFKSLKC-BPNCWPANSA-N 0 3 322.365 0.972 20 5 DCBDHN C[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000596224276 396735716 /nfs/dbraw/zinc/73/57/16/396735716.db2.gz YOTKKUMITIQINE-JTQLQIEISA-N 0 3 310.354 0.977 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600106173 396739257 /nfs/dbraw/zinc/73/92/57/396739257.db2.gz BRJCNSPNVJXXDH-UHFFFAOYSA-N 0 3 309.326 0.255 20 5 DCBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611242274 396844119 /nfs/dbraw/zinc/84/41/19/396844119.db2.gz TYMFEXAGRCOCRT-LBPRGKRZSA-N 0 3 319.365 0.908 20 5 DCBDHN CCc1n[nH]c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000377593229 397108113 /nfs/dbraw/zinc/10/81/13/397108113.db2.gz MJCXTRYGUJTCBQ-UWVGGRQHSA-N 0 3 323.353 0.473 20 5 DCBDHN CN(C)CCCS(=O)(=O)NCc1ccccc1[N+](=O)[O-] ZINC000601308833 397049341 /nfs/dbraw/zinc/04/93/41/397049341.db2.gz FBPLUAJBUNQISS-UHFFFAOYSA-N 0 3 301.368 0.966 20 5 DCBDHN COC(=O)[C@H]1C[C@@H](O)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592198311 397123207 /nfs/dbraw/zinc/12/32/07/397123207.db2.gz NMSOAYAYHGYWLJ-GXTWGEPZSA-N 0 3 308.334 0.993 20 5 DCBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000592431367 397175129 /nfs/dbraw/zinc/17/51/29/397175129.db2.gz XPXKADYIAFWSGR-XVYDVKMFSA-N 0 3 312.248 0.054 20 5 DCBDHN CN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](CN)C1 ZINC000573962930 397222837 /nfs/dbraw/zinc/22/28/37/397222837.db2.gz PDPWETPTZBWGED-SNVBAGLBSA-N 0 3 318.337 0.186 20 5 DCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)CN1CCN(C)CC1 ZINC000330558526 159193081 /nfs/dbraw/zinc/19/30/81/159193081.db2.gz XGCOZTCORZZEDT-NSHDSACASA-N 0 3 309.370 0.536 20 5 DCBDHN CCCCN(C)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151304031 287032616 /nfs/dbraw/zinc/03/26/16/287032616.db2.gz SXZWQJUBIAIDRX-UHFFFAOYSA-N 0 3 312.374 0.822 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000332082921 415232182 /nfs/dbraw/zinc/23/21/82/415232182.db2.gz ATXJMXKMUYDGGM-GFCCVEGCSA-N 0 3 309.370 0.482 20 5 DCBDHN NC(=O)C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551483 415530325 /nfs/dbraw/zinc/53/03/25/415530325.db2.gz OWAWJGQPWQPTRI-NSHDSACASA-N 0 3 308.338 0.344 20 5 DCBDHN CN(C)CCn1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000354133096 415764072 /nfs/dbraw/zinc/76/40/72/415764072.db2.gz ZZNGGHONQOPFKM-UHFFFAOYSA-N 0 3 317.349 1.534 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCNc1ccncc1 ZINC000344691804 415972910 /nfs/dbraw/zinc/97/29/10/415972910.db2.gz PVCQESBIZODSLA-UHFFFAOYSA-N 0 3 304.310 0.145 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153494647 415982391 /nfs/dbraw/zinc/98/23/91/415982391.db2.gz LQAPUFHPBOPWIL-OAHLLOKOSA-N 0 3 309.366 0.956 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC(CN3CCOCC3)CC2)n1 ZINC000176228081 416122124 /nfs/dbraw/zinc/12/21/24/416122124.db2.gz SQGXBYZNANZANY-UHFFFAOYSA-N 0 3 323.397 0.836 20 5 DCBDHN CN(C)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1O ZINC000359965991 416367339 /nfs/dbraw/zinc/36/73/39/416367339.db2.gz ILDOJNMEIMUTJS-VXGBXAGGSA-N 0 3 303.322 0.649 20 5 DCBDHN Cc1c(CNC(=O)C(C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000360529381 416394948 /nfs/dbraw/zinc/39/49/48/416394948.db2.gz QCNAIAIVSIISPH-VIFPVBQESA-N 0 3 300.336 0.953 20 5 DCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@H]1CN ZINC000423669362 416535669 /nfs/dbraw/zinc/53/56/69/416535669.db2.gz LVASGIDFYHLPDI-LBPRGKRZSA-N 0 3 320.349 0.503 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423993987 416601963 /nfs/dbraw/zinc/60/19/63/416601963.db2.gz RMNFHZGDVANLTD-JTQLQIEISA-N 0 3 316.317 0.861 20 5 DCBDHN O=C(CCN1CC[C@@H](CO)[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000559284126 416807918 /nfs/dbraw/zinc/80/79/18/416807918.db2.gz YJYDUCHAJXTFIQ-SMDDNHRTSA-N 0 3 323.349 0.599 20 5 DCBDHN O=C(C[C@@H]1CNCCO1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000429718221 416992553 /nfs/dbraw/zinc/99/25/53/416992553.db2.gz JGYBTFGVGNKVHW-CYBMUJFWSA-N 0 3 308.338 0.501 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CC[C@H](C)C1 ZINC000525292371 417135851 /nfs/dbraw/zinc/13/58/51/417135851.db2.gz NUHIIXVTRIPKPN-NSHDSACASA-N 0 3 309.370 0.948 20 5 DCBDHN C[C@@H]1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000525804193 417152041 /nfs/dbraw/zinc/15/20/41/417152041.db2.gz LROCQNOPEVTFDA-LLVKDONJSA-N 0 3 308.338 0.215 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCCNCC1 ZINC000415316459 417365868 /nfs/dbraw/zinc/36/58/68/417365868.db2.gz JRDWEOCNEMCAON-UHFFFAOYSA-N 0 3 320.349 0.972 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)C[C@H]1CN ZINC000570663713 417377945 /nfs/dbraw/zinc/37/79/45/417377945.db2.gz SIMDXVQCSQVVDL-LLVKDONJSA-N 0 3 323.353 0.710 20 5 DCBDHN O=C([C@H]1CCCCN1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320237335 261177231 /nfs/dbraw/zinc/17/72/31/261177231.db2.gz NOOFIJZVYSDHIP-CYBMUJFWSA-N 0 3 319.365 0.781 20 5 DCBDHN C[C@@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(C)C ZINC000362553542 262046646 /nfs/dbraw/zinc/04/66/46/262046646.db2.gz VMEKYKBIWVTEFZ-JTQLQIEISA-N 0 3 323.349 0.975 20 5 DCBDHN [NH3+]CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000394800538 262162765 /nfs/dbraw/zinc/16/27/65/262162765.db2.gz SWJVOMSITMIRMT-SECBINFHSA-N 0 3 309.294 0.856 20 5 DCBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCCNC1 ZINC000420402436 262373865 /nfs/dbraw/zinc/37/38/65/262373865.db2.gz IVKPIZDAORUTQD-LBPRGKRZSA-N 0 3 313.379 0.809 20 5 DCBDHN CC(COC(=O)CCNC(=O)OCC(F)(F)F)[N+](=O)[O-] ZINC000496467248 272315681 /nfs/dbraw/zinc/31/56/81/272315681.db2.gz FBJDSCQMLFOEQV-ZCFIWIBFSA-N 0 3 302.205 0.873 20 5 DCBDHN COC(=O)[C@H]1C[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000519759128 287681070 /nfs/dbraw/zinc/68/10/70/287681070.db2.gz JEPJYXJVSYBQPI-LOWVWBTDSA-N 0 3 324.333 0.876 20 5 DCBDHN CN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000128424632 276791030 /nfs/dbraw/zinc/79/10/30/276791030.db2.gz ZTFXRFZIMSVTFC-UHFFFAOYSA-N 0 3 322.365 0.723 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCN(CC2CCC2)CC1 ZINC000584300936 332228878 /nfs/dbraw/zinc/22/88/78/332228878.db2.gz FKSSRCSNPKRWMJ-UHFFFAOYSA-N 0 3 322.369 0.521 20 5 DCBDHN CN1C[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000583199032 337266379 /nfs/dbraw/zinc/26/63/79/337266379.db2.gz VLDCUWCOHYOIIW-JTQLQIEISA-N 0 3 306.322 0.744 20 5 DCBDHN Cc1cc(C(=O)N[C@H](C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000584670831 337381451 /nfs/dbraw/zinc/38/14/51/337381451.db2.gz SUHNATNCBONHFE-LLVKDONJSA-N 0 3 322.365 0.699 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000153488740 521856961 /nfs/dbraw/zinc/85/69/61/521856961.db2.gz AANUBZVGOXKRMT-HNNXBMFYSA-N 0 3 324.381 0.460 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(C2OCCO2)CC1 ZINC000131725694 527487439 /nfs/dbraw/zinc/48/74/39/527487439.db2.gz LKPAGIGTLGHWSZ-UHFFFAOYSA-N 0 3 323.349 0.841 20 5 DCBDHN CN(C)CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298088090 535876252 /nfs/dbraw/zinc/87/62/52/535876252.db2.gz HWQUCYKODCETGB-UHFFFAOYSA-N 0 3 320.393 0.843 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284532042 535972691 /nfs/dbraw/zinc/97/26/91/535972691.db2.gz WTNIPQRDHVQYDY-CYBMUJFWSA-N 0 3 314.317 0.359 20 5 DCBDHN CC(COC(=O)CS(=O)(=O)NC1CCC(C)CC1)[N+](=O)[O-] ZINC000813105684 658718298 /nfs/dbraw/zinc/71/82/98/658718298.db2.gz RRIXWPVOVYVQMZ-HSOILSAZSA-N 0 3 322.383 0.693 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2CCn1cccn1 ZINC001029305026 662098729 /nfs/dbraw/zinc/09/87/29/662098729.db2.gz QWOBRNVQDCBOGY-XJFOESAGSA-N 0 3 319.365 0.224 20 5 DCBDHN COCC(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000989830572 662981874 /nfs/dbraw/zinc/98/18/74/662981874.db2.gz JGGPAKASNFIYMU-UHFFFAOYSA-N 0 3 311.342 0.055 20 5 DCBDHN CN(CCO)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000899736549 663184548 /nfs/dbraw/zinc/18/45/48/663184548.db2.gz JTSKHVXRFGWGHM-UHFFFAOYSA-N 0 3 309.366 0.913 20 5 DCBDHN O=C(C1CCCCC1)N1CCN(CCNCC[N+](=O)[O-])CC1 ZINC000905114652 663532064 /nfs/dbraw/zinc/53/20/64/663532064.db2.gz QFRHAWARNYTFQF-UHFFFAOYSA-N 0 3 312.414 0.577 20 5 DCBDHN Cn1cncc1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002783379 666221172 /nfs/dbraw/zinc/22/11/72/666221172.db2.gz SAKKNYPVHZBMPA-CHWSQXEVSA-N 0 3 307.354 0.166 20 5 DCBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000861344913 666920111 /nfs/dbraw/zinc/92/01/11/666920111.db2.gz VVOOCRLFQMILIE-DGCLKSJQSA-N 0 3 312.326 0.444 20 5 DCBDHN CN1CCN(C2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000866213183 667368573 /nfs/dbraw/zinc/36/85/73/667368573.db2.gz NISDHRDZEILHDV-UHFFFAOYSA-N 0 3 320.397 0.788 20 5 DCBDHN CC(COC(=O)Cn1ccc(Br)cc1=O)[N+](=O)[O-] ZINC000870376732 667735446 /nfs/dbraw/zinc/73/54/46/667735446.db2.gz LMOYJEMRKZOLIT-ZETCQYMHSA-N 0 3 319.111 0.819 20 5 DCBDHN NC(=O)C1(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000746475029 667879414 /nfs/dbraw/zinc/87/94/14/667879414.db2.gz RCHDVMMBWGQEPD-LBPRGKRZSA-N 0 3 323.349 0.722 20 5 DCBDHN CC(C)(CCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)[N+](=O)[O-] ZINC000889751704 667989143 /nfs/dbraw/zinc/98/91/43/667989143.db2.gz RYFGEPAKMUAIPO-CHWSQXEVSA-N 0 3 313.398 0.880 20 5 DCBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930441011 669018150 /nfs/dbraw/zinc/01/81/50/669018150.db2.gz QIUCGTWNCMGUKL-ZBFHGGJFSA-N 0 3 324.377 0.972 20 5 DCBDHN Cn1cc(CN2CC[C@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])n1 ZINC000934277056 669590823 /nfs/dbraw/zinc/59/08/23/669590823.db2.gz YEUZKZKGOQKBGN-OLZOCXBDSA-N 0 3 309.370 0.359 20 5 DCBDHN Cc1cc(Cn2nnc(C(=O)OCC(C)[N+](=O)[O-])c2C)on1 ZINC000797279379 669962202 /nfs/dbraw/zinc/96/22/02/669962202.db2.gz KSUXROFOYLTJTR-QMMMGPOBSA-N 0 3 309.282 0.753 20 5 DCBDHN CCn1c(=O)[nH]c2cc(C(=O)OCC(C)[N+](=O)[O-])ccc2c1=O ZINC000813112209 670611942 /nfs/dbraw/zinc/61/19/42/670611942.db2.gz NSHKMQCLOWBAOV-QMMMGPOBSA-N 0 3 321.289 0.944 20 5 DCBDHN CCn1c(=O)[nH]c2cc(C(=O)OCC(C)[N+](=O)[O-])ccc2c1=O ZINC000813112207 670611987 /nfs/dbraw/zinc/61/19/87/670611987.db2.gz NSHKMQCLOWBAOV-MRVPVSSYSA-N 0 3 321.289 0.944 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000828958388 671564340 /nfs/dbraw/zinc/56/43/40/671564340.db2.gz DQIGOPSBISATBL-VXGBXAGGSA-N 0 3 307.354 0.795 20 5 DCBDHN Cc1nc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001020140385 693711180 /nfs/dbraw/zinc/71/11/80/693711180.db2.gz DTGRVBSLBFZUQO-CNVPUSNMSA-N 0 3 310.379 0.854 20 5 DCBDHN Cc1ncc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)o1 ZINC001072725228 694657289 /nfs/dbraw/zinc/65/72/89/694657289.db2.gz KRJFDKSGALLKBN-CHWSQXEVSA-N 0 3 320.349 0.683 20 5 DCBDHN C[C@@H](CNC(=O)NC[C@@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001576023569 1164214499 /nfs/dbraw/zinc/21/44/99/1164214499.db2.gz QGVRGNZWDLQLAC-RYUDHWBXSA-N 0 3 322.365 0.986 20 5 DCBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001579537327 1165339863 /nfs/dbraw/zinc/33/98/63/1165339863.db2.gz NMRDJIMCECAILC-VIFPVBQESA-N 0 3 309.297 0.903 20 5 DCBDHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC[N@@H+]1C ZINC001590175199 1166800646 /nfs/dbraw/zinc/80/06/46/1166800646.db2.gz MPVRDMRYINGRAF-JGVFFNPUSA-N 0 3 318.341 0.862 20 5 DCBDHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC[N@H+]1C ZINC001590175199 1166800653 /nfs/dbraw/zinc/80/06/53/1166800653.db2.gz MPVRDMRYINGRAF-JGVFFNPUSA-N 0 3 318.341 0.862 20 5 DCBDHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[N@@H+]1C ZINC001590175199 1166800659 /nfs/dbraw/zinc/80/06/59/1166800659.db2.gz MPVRDMRYINGRAF-JGVFFNPUSA-N 0 3 318.341 0.862 20 5 DCBDHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[N@H+]1C ZINC001590175199 1166800666 /nfs/dbraw/zinc/80/06/66/1166800666.db2.gz MPVRDMRYINGRAF-JGVFFNPUSA-N 0 3 318.341 0.862 20 5 DCBDHN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC[N@@H+]1C ZINC001590175201 1166801565 /nfs/dbraw/zinc/80/15/65/1166801565.db2.gz MPVRDMRYINGRAF-YUMQZZPRSA-N 0 3 318.341 0.862 20 5 DCBDHN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC[N@H+]1C ZINC001590175201 1166801573 /nfs/dbraw/zinc/80/15/73/1166801573.db2.gz MPVRDMRYINGRAF-YUMQZZPRSA-N 0 3 318.341 0.862 20 5 DCBDHN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[N@@H+]1C ZINC001590175201 1166801577 /nfs/dbraw/zinc/80/15/77/1166801577.db2.gz MPVRDMRYINGRAF-YUMQZZPRSA-N 0 3 318.341 0.862 20 5 DCBDHN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC[N@H+]1C ZINC001590175201 1166801586 /nfs/dbraw/zinc/80/15/86/1166801586.db2.gz MPVRDMRYINGRAF-YUMQZZPRSA-N 0 3 318.341 0.862 20 5 DCBDHN C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591011498 1167079674 /nfs/dbraw/zinc/07/96/74/1167079674.db2.gz CELROVYMTOAEEG-VIFPVBQESA-N 0 3 307.314 0.109 20 5 DCBDHN C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591011498 1167079682 /nfs/dbraw/zinc/07/96/82/1167079682.db2.gz CELROVYMTOAEEG-VIFPVBQESA-N 0 3 307.314 0.109 20 5 DCBDHN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC001603839959 1169407839 /nfs/dbraw/zinc/40/78/39/1169407839.db2.gz OQTFEBVNFALNGZ-OIBJUYFYSA-N 0 3 304.314 0.674 20 5 DCBDHN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC001603839959 1169407845 /nfs/dbraw/zinc/40/78/45/1169407845.db2.gz OQTFEBVNFALNGZ-OIBJUYFYSA-N 0 3 304.314 0.674 20 5 DCBDHN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC001603839959 1169407850 /nfs/dbraw/zinc/40/78/50/1169407850.db2.gz OQTFEBVNFALNGZ-OIBJUYFYSA-N 0 3 304.314 0.674 20 5 DCBDHN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC001603839959 1169407854 /nfs/dbraw/zinc/40/78/54/1169407854.db2.gz OQTFEBVNFALNGZ-OIBJUYFYSA-N 0 3 304.314 0.674 20 5 DCBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CNC(C)=O ZINC001715714460 1181953822 /nfs/dbraw/zinc/95/38/22/1181953822.db2.gz ODXMLRIEEBNVEL-UHFFFAOYSA-N 0 3 322.365 0.669 20 5 DCBDHN CCn1ccc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001716292409 1182310141 /nfs/dbraw/zinc/31/01/41/1182310141.db2.gz JRSLADMQZNCKAV-FGTRRKKMSA-N 0 3 307.354 0.330 20 5 DCBDHN O=C(NCC=CCNCc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC001732918839 1186058618 /nfs/dbraw/zinc/05/86/18/1186058618.db2.gz MULJDEWMIPTBEU-ARJAWSKDSA-N 0 3 316.321 0.789 20 5 DCBDHN Cc1cc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1C ZINC001754118591 1188748230 /nfs/dbraw/zinc/74/82/30/1188748230.db2.gz BMDXQSWABDUANG-FGTRRKKMSA-N 0 3 307.354 0.156 20 5 DCBDHN CN(CCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)CN1CCCC1 ZINC001105405202 749186576 /nfs/dbraw/zinc/18/65/76/749186576.db2.gz QSPKTGYSCHAMQM-UHFFFAOYSA-N 0 3 321.381 0.980 20 5 DCBDHN Cn1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)nn1 ZINC001126649666 749523746 /nfs/dbraw/zinc/52/37/46/749523746.db2.gz FJPIRIOUKROQKP-UHFFFAOYSA-N 0 3 304.310 0.243 20 5 DCBDHN COc1ccc(C[C@H](C)N2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170315291 762608344 /nfs/dbraw/zinc/60/83/44/762608344.db2.gz WQFHXTLLWHQBPY-CYZMBNFOSA-N 0 3 310.350 0.962 20 5 DCBDHN COc1ccc(C[C@@H](C)N2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170315292 762608705 /nfs/dbraw/zinc/60/87/05/762608705.db2.gz WQFHXTLLWHQBPY-RAIGVLPGSA-N 0 3 310.350 0.962 20 5 DCBDHN Cc1nonc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363235 760100957 /nfs/dbraw/zinc/10/09/57/760100957.db2.gz JCKHJBMTACNBTF-DNRKLUKYSA-N 0 3 309.326 0.028 20 5 DCBDHN Cc1nc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)oc1C ZINC001086363534 760102980 /nfs/dbraw/zinc/10/29/80/760102980.db2.gz ZTGQDZHKBXKXJE-FDYHWXHSSA-N 0 3 322.365 0.941 20 5 DCBDHN COc1cc(C)nc(N(C)S(=O)(=O)CCN)c1[N+](=O)[O-] ZINC001156236384 760519047 /nfs/dbraw/zinc/51/90/47/760519047.db2.gz IAPQADGLWSWEMS-UHFFFAOYSA-N 0 3 304.328 0.032 20 5 DCBDHN O=C(CN1CCCC1=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123335381 767965233 /nfs/dbraw/zinc/96/52/33/767965233.db2.gz OYBNAOKOZLSYRB-UHFFFAOYSA-N 0 3 320.349 0.423 20 5 DCBDHN COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H](C)[C@H]1CNCCO1 ZINC001170574697 763901799 /nfs/dbraw/zinc/90/17/99/763901799.db2.gz NUQUZYGGIRSIFX-GZMMTYOYSA-N 0 3 310.310 0.565 20 5 DCBDHN CCN(CC)CC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001093646729 768668267 /nfs/dbraw/zinc/66/82/67/768668267.db2.gz IDHKJOPOTAASRO-UHFFFAOYSA-N 0 3 311.342 0.565 20 5 DCBDHN COC(=O)CC[C@H](N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173226667 769567975 /nfs/dbraw/zinc/56/79/75/769567975.db2.gz YPESZSHKWJXNDR-GWCFXTLKSA-N 0 3 323.349 0.923 20 5 DCBDHN C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC001154043168 770055149 /nfs/dbraw/zinc/05/51/49/770055149.db2.gz RYJNFXPVMUYSGQ-VIFPVBQESA-N 0 3 305.338 0.952 20 5 DCBDHN Cc1cc(Cl)nc(N(C)S(=O)(=O)CCN)c1[N+](=O)[O-] ZINC001156237040 770759797 /nfs/dbraw/zinc/75/97/97/770759797.db2.gz VKSNGKMONZJQOY-UHFFFAOYSA-N 0 3 308.747 0.676 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccns1 ZINC001159113629 771862818 /nfs/dbraw/zinc/86/28/18/771862818.db2.gz OCXJCBLPDDHFHG-UHFFFAOYSA-N 0 3 324.366 0.695 20 5 DCBDHN O=[N+]([O-])c1cncc(Cl)c1NCc1nnn2c1CNCCC2 ZINC001162978032 772438678 /nfs/dbraw/zinc/43/86/78/772438678.db2.gz UJQASSBWAHUNCV-UHFFFAOYSA-N 0 3 323.744 0.762 20 5 DCBDHN CCN(CC)CCNC(=N)Nc1ncc([N+](=O)[O-])c(OC)n1 ZINC001163122086 772468264 /nfs/dbraw/zinc/46/82/64/772468264.db2.gz BGXHPFUVJUWMBK-UHFFFAOYSA-N 0 3 311.346 0.671 20 5 DCBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cn(C)nn1 ZINC001317582566 945082277 /nfs/dbraw/zinc/08/22/77/945082277.db2.gz KWUSCHROFKPNIU-UHFFFAOYSA-N 0 3 318.337 0.585 20 5 DCBDHN C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC001253411499 946119094 /nfs/dbraw/zinc/11/90/94/946119094.db2.gz IXNALSDFXYSIAR-SNVBAGLBSA-N 0 3 308.338 0.355 20 5 DCBDHN CN(C)CCN(C)C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001258324924 946822846 /nfs/dbraw/zinc/82/28/46/946822846.db2.gz HRVFJUZNTLWZAT-UHFFFAOYSA-N 0 3 322.365 0.274 20 5 DCBDHN Cc1nc(N(CCN(C)C)CC(=O)N(C)C)ncc1[N+](=O)[O-] ZINC001328585063 948978214 /nfs/dbraw/zinc/97/82/14/948978214.db2.gz KONVKDSHAWHSEG-UHFFFAOYSA-N 0 3 310.358 0.149 20 5 DCBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ncccc1C ZINC001492950517 1003624822 /nfs/dbraw/zinc/62/48/22/1003624822.db2.gz UGOYYJJDXXBSNW-TZMCWYRMSA-N 0 3 306.366 0.993 20 5 DCBDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2cn(C)nc2[N+](=O)[O-])C1 ZINC001460406895 1012903597 /nfs/dbraw/zinc/90/35/97/1012903597.db2.gz QMOZFYUPONYNAX-UHTWSYAYSA-N 0 3 312.370 0.984 20 5 DCBDHN CN(CCN1CCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000162133659 529908043 /nfs/dbraw/zinc/90/80/43/529908043.db2.gz RZQWTLYCMGQMNL-UHFFFAOYSA-N 0 3 310.358 0.529 20 5 DCBDHN CNS(=O)(=O)c1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000267067707 290789804 /nfs/dbraw/zinc/78/98/04/290789804.db2.gz QJCGWODOGKFSPE-UHFFFAOYSA-N 0 3 316.383 0.501 20 5 DCBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)N1CCNCC1 ZINC000566088005 291268176 /nfs/dbraw/zinc/26/81/76/291268176.db2.gz KGZIDXKJRQUODJ-ZDUSSCGKSA-N 0 3 320.393 0.937 20 5 DCBDHN C[C@H](CN)NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420029412 240010855 /nfs/dbraw/zinc/01/08/55/240010855.db2.gz NSRCNXUCDODWDN-SNVBAGLBSA-N 0 3 320.349 0.549 20 5 DCBDHN CN(C[C@@H]1CCCN1C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000420823607 240063356 /nfs/dbraw/zinc/06/33/56/240063356.db2.gz VMSLMOKHFDJZRG-NSHDSACASA-N 0 3 310.358 0.527 20 5 DCBDHN N[C@H]1C[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250128 291345208 /nfs/dbraw/zinc/34/52/08/291345208.db2.gz BLPWHJJWKLFCHB-OCCSQVGLSA-N 0 3 320.349 0.217 20 5 DCBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264798219 204164068 /nfs/dbraw/zinc/16/40/68/204164068.db2.gz URVYVGOCIONYOF-UHFFFAOYSA-N 0 3 309.370 0.632 20 5 DCBDHN CCN(C)CCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272936217 210323419 /nfs/dbraw/zinc/32/34/19/210323419.db2.gz OLJGKTYGKHNTFL-UHFFFAOYSA-N 0 3 324.337 0.610 20 5 DCBDHN CCOC(=O)[C@H](C)[C@@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000351144741 254333820 /nfs/dbraw/zinc/33/38/20/254333820.db2.gz XWDYHFLGNIVFGN-GHMZBOCLSA-N 0 3 311.338 0.934 20 5 DCBDHN CO[C@@H](CN)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289559342 221066845 /nfs/dbraw/zinc/06/68/45/221066845.db2.gz KXMGTTIWDSROCP-ZDUSSCGKSA-N 0 3 308.338 0.217 20 5 DCBDHN Cc1n[nH]c(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000330779646 533667790 /nfs/dbraw/zinc/66/77/90/533667790.db2.gz WJNUPOITDRFUCX-JTQLQIEISA-N 0 3 324.385 0.240 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093289 395859226 /nfs/dbraw/zinc/85/92/26/395859226.db2.gz XPWNIVCDWKUSON-MRVPVSSYSA-N 0 3 301.324 0.244 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)C[C@H]1CO ZINC000245708397 395933872 /nfs/dbraw/zinc/93/38/72/395933872.db2.gz OPSUUFBWIYYJNA-QWHCGFSZSA-N 0 3 323.349 0.659 20 5 DCBDHN COCCN(C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068321744 396052034 /nfs/dbraw/zinc/05/20/34/396052034.db2.gz PAMZZTMZFFIJGA-UHFFFAOYSA-N 0 3 314.317 0.624 20 5 DCBDHN O=C(CCN1C[C@H](O)C[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000249357544 396006598 /nfs/dbraw/zinc/00/65/98/396006598.db2.gz RSUHKHOMLUHFTN-QWHCGFSZSA-N 0 3 309.322 0.351 20 5 DCBDHN Nc1nc(N2CCN(c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000076518346 396205700 /nfs/dbraw/zinc/20/57/00/396205700.db2.gz XTLGBTGSBOAKFS-UHFFFAOYSA-N 0 3 301.310 0.689 20 5 DCBDHN CCN1CCN([C@H](C)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076268140 396200058 /nfs/dbraw/zinc/20/00/58/396200058.db2.gz XPESIEFZWXYHOP-SNVBAGLBSA-N 0 3 309.374 0.405 20 5 DCBDHN CN1CCC(O)(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000077798380 396234055 /nfs/dbraw/zinc/23/40/55/396234055.db2.gz MSPUMSDXBZVYTF-UHFFFAOYSA-N 0 3 322.365 0.851 20 5 DCBDHN CN(CCOCCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281905710 396248148 /nfs/dbraw/zinc/24/81/48/396248148.db2.gz APSNITFFLHIYKZ-UHFFFAOYSA-N 0 3 311.338 0.864 20 5 DCBDHN CN(C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)n1 ZINC000184083238 396284576 /nfs/dbraw/zinc/28/45/76/396284576.db2.gz URJAFMYFWPRVMW-UHFFFAOYSA-N 0 3 319.325 0.582 20 5 DCBDHN O=C(CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1 ZINC000580887655 396507883 /nfs/dbraw/zinc/50/78/83/396507883.db2.gz CMESHPLQQIYJPA-ZDUSSCGKSA-N 0 3 319.321 0.381 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CCN2C1=O ZINC000579979064 396482812 /nfs/dbraw/zinc/48/28/12/396482812.db2.gz OOZLJYXCDBJRBZ-RKDXNWHRSA-N 0 3 310.335 0.040 20 5 DCBDHN COC(=O)c1cc(NC(=O)[C@H]2C[C@H](OC)CN2)cc([N+](=O)[O-])c1 ZINC000373625754 396604391 /nfs/dbraw/zinc/60/43/91/396604391.db2.gz XAISGKCODAXCAQ-NWDGAFQWSA-N 0 3 323.305 0.697 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588864491 396697226 /nfs/dbraw/zinc/69/72/26/396697226.db2.gz KIVRDOGDEPSCIQ-JTQLQIEISA-N 0 3 301.730 0.901 20 5 DCBDHN O=c1[nH]ccc(N2CCN(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596148331 396724328 /nfs/dbraw/zinc/72/43/28/396724328.db2.gz DAWJLDRWIQAZCL-UHFFFAOYSA-N 0 3 308.338 0.996 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2cn[nH]c2)cc1 ZINC000563617338 396760427 /nfs/dbraw/zinc/76/04/27/396760427.db2.gz AUPZFTKDBKZPRF-UHFFFAOYSA-N 0 3 324.362 0.924 20 5 DCBDHN CN1CCN(CC2CN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590400256 396771956 /nfs/dbraw/zinc/77/19/56/396771956.db2.gz RWUZALOXDMFDCH-UHFFFAOYSA-N 0 3 318.377 0.914 20 5 DCBDHN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000564353537 396829251 /nfs/dbraw/zinc/82/92/51/396829251.db2.gz CZYHSZNRSKQRKS-NSHDSACASA-N 0 3 322.365 0.320 20 5 DCBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCN1CCC2 ZINC000611201375 396833378 /nfs/dbraw/zinc/83/33/78/396833378.db2.gz NEVMWVQBUHHXEX-CQSZACIVSA-N 0 3 304.350 0.601 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1NCCc2ccccc21 ZINC000375999545 396860303 /nfs/dbraw/zinc/86/03/03/396860303.db2.gz YZOVAGJTJFGFAL-CQSZACIVSA-N 0 3 315.333 0.795 20 5 DCBDHN Cc1c(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000572016424 397014573 /nfs/dbraw/zinc/01/45/73/397014573.db2.gz VDVVJHJHOQIMCI-STQMWFEESA-N 0 3 304.350 0.647 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000597653500 397045381 /nfs/dbraw/zinc/04/53/81/397045381.db2.gz KCDLTDJTCBDXGF-LBPRGKRZSA-N 0 3 309.366 0.911 20 5 DCBDHN CN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000592308181 397149324 /nfs/dbraw/zinc/14/93/24/397149324.db2.gz ADKOACTYHBHBTQ-LBPRGKRZSA-N 0 3 308.338 0.075 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CN1CCNCC1 ZINC000602446183 397404111 /nfs/dbraw/zinc/40/41/11/397404111.db2.gz XHPYEIPDKXOXAV-UHFFFAOYSA-N 0 3 308.338 0.125 20 5 DCBDHN COCCC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599507274 397461761 /nfs/dbraw/zinc/46/17/61/397461761.db2.gz VCGRKPSOKNVDCC-CQSZACIVSA-N 0 3 312.370 0.901 20 5 DCBDHN COc1ccc(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000578787551 397486552 /nfs/dbraw/zinc/48/65/52/397486552.db2.gz SCGFXEQGWBPVOI-VXGBXAGGSA-N 0 3 320.349 0.347 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000602890192 397513809 /nfs/dbraw/zinc/51/38/09/397513809.db2.gz XJHLJHLQMAMCGV-RYUDHWBXSA-N 0 3 307.354 0.700 20 5 DCBDHN CSC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602920483 397523542 /nfs/dbraw/zinc/52/35/42/397523542.db2.gz OTUMQPVJZPWPCJ-LLVKDONJSA-N 0 3 300.384 0.980 20 5 DCBDHN C[C@@H](CN1CCCCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000126194034 158263597 /nfs/dbraw/zinc/26/35/97/158263597.db2.gz ZWWYYVYHYWHOQX-LBPRGKRZSA-N 0 3 322.365 0.747 20 5 DCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CCCC2)C1 ZINC000171452484 158382914 /nfs/dbraw/zinc/38/29/14/158382914.db2.gz HTPJAJUEHJEIKG-LBPRGKRZSA-N 0 3 307.354 0.878 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000367822134 159357993 /nfs/dbraw/zinc/35/79/93/159357993.db2.gz KFWWXKFFVWAOKA-HIFRSBDPSA-N 0 3 324.381 0.901 20 5 DCBDHN CCN(C)CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066959321 415371741 /nfs/dbraw/zinc/37/17/41/415371741.db2.gz HBVKHPARVBITMW-NSHDSACASA-N 0 3 322.365 0.781 20 5 DCBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])c(N3CC(N(C)C)C3)n2)C1 ZINC000276577719 415478312 /nfs/dbraw/zinc/47/83/12/415478312.db2.gz OGSBMIUYJSKWHJ-UHFFFAOYSA-N 0 3 320.397 0.490 20 5 DCBDHN C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[C@H]1N1CCN(C)CC1 ZINC000343477749 415610342 /nfs/dbraw/zinc/61/03/42/415610342.db2.gz SRLGJWOSOVTBOF-QWHCGFSZSA-N 0 3 322.413 0.791 20 5 DCBDHN CC(C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000121944950 415821121 /nfs/dbraw/zinc/82/11/21/415821121.db2.gz LXPZXFBQMKZTPK-NSHDSACASA-N 0 3 324.385 0.320 20 5 DCBDHN CC(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000121944950 415821123 /nfs/dbraw/zinc/82/11/23/415821123.db2.gz LXPZXFBQMKZTPK-NSHDSACASA-N 0 3 324.385 0.320 20 5 DCBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1N1CCCC1 ZINC000356114972 415871647 /nfs/dbraw/zinc/87/16/47/415871647.db2.gz JFLXVCIXMRWDFU-MNOVXSKESA-N 0 3 324.410 0.983 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000298614854 416018569 /nfs/dbraw/zinc/01/85/69/416018569.db2.gz YLCSPRSNFNNXGV-JTQLQIEISA-N 0 3 308.338 0.908 20 5 DCBDHN CCN1CCN(CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000345443307 416097163 /nfs/dbraw/zinc/09/71/63/416097163.db2.gz YLNIWUCHAHBSQH-UHFFFAOYSA-N 0 3 324.385 0.465 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN3CCCC[C@@H]3C2)c1 ZINC000177774834 416151885 /nfs/dbraw/zinc/15/18/85/416151885.db2.gz GJXIXYZNWXHJFI-OCCSQVGLSA-N 0 3 309.370 0.322 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358140921 416200278 /nfs/dbraw/zinc/20/02/78/416200278.db2.gz PHVWSHXXCZHQSZ-ZDUSSCGKSA-N 0 3 312.301 0.922 20 5 DCBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330642636 416221566 /nfs/dbraw/zinc/22/15/66/416221566.db2.gz FCPGEMGDARGOKX-MNOVXSKESA-N 0 3 310.358 0.423 20 5 DCBDHN COc1cccc(C(=O)NC[C@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000192820778 416311169 /nfs/dbraw/zinc/31/11/69/416311169.db2.gz BJKNRSMPGXEXRV-AWEZNQCLSA-N 0 3 311.338 0.646 20 5 DCBDHN Cc1c(CNC(=O)C(=O)N(C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000360284756 416384166 /nfs/dbraw/zinc/38/41/66/416384166.db2.gz GQNYXBRVPPQLFM-UHFFFAOYSA-N 0 3 322.365 0.539 20 5 DCBDHN CN1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000516465382 416724852 /nfs/dbraw/zinc/72/48/52/416724852.db2.gz UICPBIUZCZRYAZ-LBPRGKRZSA-N 0 3 308.338 0.075 20 5 DCBDHN CCN(C)C[C@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000565904492 417033335 /nfs/dbraw/zinc/03/33/35/417033335.db2.gz PBNLDQFGGKXQTA-LBPRGKRZSA-N 0 3 322.321 0.724 20 5 DCBDHN CC[NH+](CC)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000565700494 417007267 /nfs/dbraw/zinc/00/72/67/417007267.db2.gz XGIZDCLILQXYDQ-SNVBAGLBSA-N 0 3 316.383 0.998 20 5 DCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000521462870 417012825 /nfs/dbraw/zinc/01/28/25/417012825.db2.gz PCSPYSHJEYGTKC-JGVFFNPUSA-N 0 3 310.335 0.040 20 5 DCBDHN O=C1NC(=O)[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000451625446 417365857 /nfs/dbraw/zinc/36/58/57/417365857.db2.gz POWZSORERAHTGE-TXEJJXNPSA-N 0 3 305.290 0.178 20 5 DCBDHN CN1CC[C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000451632326 417368911 /nfs/dbraw/zinc/36/89/11/417368911.db2.gz OHYJCIFQPGRZBC-OCCSQVGLSA-N 0 3 304.350 0.830 20 5 DCBDHN C[C@H]1COCCN1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000576766857 417634921 /nfs/dbraw/zinc/63/49/21/417634921.db2.gz YWOXIHWEXYOMDR-ZDUSSCGKSA-N 0 3 323.397 0.976 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(CC3CC3)CC2)c1 ZINC000304306075 261173957 /nfs/dbraw/zinc/17/39/57/261173957.db2.gz JHYSORHFXZBOJN-AWEZNQCLSA-N 0 3 309.370 0.180 20 5 DCBDHN [NH3+]CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440354335 271651968 /nfs/dbraw/zinc/65/19/68/271651968.db2.gz ZQERQXYAHOJXQO-UHFFFAOYSA-N 0 3 324.156 0.594 20 5 DCBDHN CO[C@@H]1COC[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459786597 272008599 /nfs/dbraw/zinc/00/85/99/272008599.db2.gz BUVCWVQFJUCCNX-COPLHBTASA-N 0 3 312.322 0.338 20 5 DCBDHN C[C@H]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000490320757 272073145 /nfs/dbraw/zinc/07/31/45/272073145.db2.gz RXXAAJJTIFWIPD-WDEREUQCSA-N 0 3 310.358 0.573 20 5 DCBDHN N[C@@H]1C[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CCN2C1=O ZINC000519710637 287679908 /nfs/dbraw/zinc/67/99/08/287679908.db2.gz NEAAKMIOBXVQNJ-JGVFFNPUSA-N 0 3 322.350 0.052 20 5 DCBDHN CNS(=O)(=O)c1ccc(N2CCN[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052783439 277037293 /nfs/dbraw/zinc/03/72/93/277037293.db2.gz DAKFZFSZCMMIJC-VIFPVBQESA-N 0 3 314.367 0.301 20 5 DCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273931190 277056318 /nfs/dbraw/zinc/05/63/18/277056318.db2.gz KQTOZJXJLDJRAR-GFCCVEGCSA-N 0 3 320.353 0.128 20 5 DCBDHN CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000547859041 288084956 /nfs/dbraw/zinc/08/49/56/288084956.db2.gz CASLJOIDMJWABS-UHFFFAOYSA-N 0 3 324.381 0.866 20 5 DCBDHN Cn1c(C(=O)NC[C@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000560506432 288508483 /nfs/dbraw/zinc/50/84/83/288508483.db2.gz XUSCSTOJNWXIFQ-AWEZNQCLSA-N 0 3 308.338 0.120 20 5 DCBDHN CS[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1N(C)C ZINC000332655676 534119981 /nfs/dbraw/zinc/11/99/81/534119981.db2.gz DVCGDJDIUQPDBB-UWVGGRQHSA-N 0 3 313.383 0.446 20 5 DCBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000157389791 525574917 /nfs/dbraw/zinc/57/49/17/525574917.db2.gz ZWOQDWYGNBFTFY-JTQLQIEISA-N 0 3 315.351 0.170 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000157374990 526087368 /nfs/dbraw/zinc/08/73/68/526087368.db2.gz JCRRTFKLVPOEDL-NSHDSACASA-N 0 3 315.351 0.170 20 5 DCBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000820778065 606803830 /nfs/dbraw/zinc/80/38/30/606803830.db2.gz UZKAZMJMXDZCBR-GZMMTYOYSA-N 0 3 318.341 0.556 20 5 DCBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1[NH+](C)C ZINC000820778065 606803832 /nfs/dbraw/zinc/80/38/32/606803832.db2.gz UZKAZMJMXDZCBR-GZMMTYOYSA-N 0 3 318.341 0.556 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892784249 659454637 /nfs/dbraw/zinc/45/46/37/659454637.db2.gz HDBGVUUJULQVBM-AWEZNQCLSA-N 0 3 307.354 0.700 20 5 DCBDHN CN(CCO)CCN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000912612476 664196010 /nfs/dbraw/zinc/19/60/10/664196010.db2.gz QCOMRNZRLSIZKM-YVMONPNESA-N 0 3 307.350 0.991 20 5 DCBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000923299465 667497291 /nfs/dbraw/zinc/49/72/91/667497291.db2.gz RLFUIDYLZSLTAZ-NWDGAFQWSA-N 0 3 307.354 0.877 20 5 DCBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000874837024 668225640 /nfs/dbraw/zinc/22/56/40/668225640.db2.gz GADRMWZXBDZXFM-OLZOCXBDSA-N 0 3 320.349 0.452 20 5 DCBDHN Cc1cc(C(=O)NC[C@]2(O)CCN(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000762720880 668374416 /nfs/dbraw/zinc/37/44/16/668374416.db2.gz FHQVVSCDBFOXSG-CQSZACIVSA-N 0 3 308.338 0.282 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000716729164 670270885 /nfs/dbraw/zinc/27/08/85/670270885.db2.gz AGIAIIHKLURCHF-QMMMGPOBSA-N 0 3 301.730 0.901 20 5 DCBDHN C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854455924 670568804 /nfs/dbraw/zinc/56/88/04/670568804.db2.gz QWLVLHCHNMANTA-UTINFBMNSA-N 0 3 322.321 0.532 20 5 DCBDHN Cc1cc(C(=O)N[C@@H](CO)CN2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000816625643 670829096 /nfs/dbraw/zinc/82/90/96/670829096.db2.gz KCMGWDPNRLYAHU-LLVKDONJSA-N 0 3 322.365 0.672 20 5 DCBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CNCCO1 ZINC000818008292 670961879 /nfs/dbraw/zinc/96/18/79/670961879.db2.gz RWHSCMMDVBVPQQ-LLVKDONJSA-N 0 3 308.338 0.379 20 5 DCBDHN CO[C@@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000819066753 671092379 /nfs/dbraw/zinc/09/23/79/671092379.db2.gz DICIKLCMLLUREC-IUCAKERBSA-N 0 3 312.248 0.319 20 5 DCBDHN Cc1cnc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001670781898 1158000975 /nfs/dbraw/zinc/00/09/75/1158000975.db2.gz QFLKVYCHAWMAAO-VXGBXAGGSA-N 0 3 305.338 0.189 20 5 DCBDHN O=C(NCC=CCNCc1nnc(C2CC2)[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC001568848798 1160813281 /nfs/dbraw/zinc/81/32/81/1160813281.db2.gz PDLHCHZGTNBHPL-JLVKAVFRSA-N 0 3 320.353 0.109 20 5 DCBDHN Cc1nc(CNCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])oc1C ZINC001569202089 1160977418 /nfs/dbraw/zinc/97/74/18/1160977418.db2.gz UVCVDNUDZWSQRB-VXGBXAGGSA-N 0 3 310.354 0.895 20 5 DCBDHN CN1C[C@@H]2CCN(C(=O)[C@@](C)(N)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001578523543 1165041109 /nfs/dbraw/zinc/04/11/09/1165041109.db2.gz MNAINYPOYLVXQC-PEYYIBSZSA-N 0 3 318.377 0.931 20 5 DCBDHN COc1cc(C(=O)N[C@@H]2COC3(CNC3)C2)cc([N+](=O)[O-])c1C ZINC001579141501 1165222443 /nfs/dbraw/zinc/22/24/43/1165222443.db2.gz QWCLKGIUCYZRBY-NSHDSACASA-N 0 3 321.333 0.773 20 5 DCBDHN Cn1cc([C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC001579970171 1165456091 /nfs/dbraw/zinc/45/60/91/1165456091.db2.gz QTTICOOBJKXMMY-VHSXEESVSA-N 0 3 304.310 0.360 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1Cc2ccccc2CN1 ZINC001580578843 1165643702 /nfs/dbraw/zinc/64/37/02/1165643702.db2.gz NVIJMSGKZHXPLX-ZDUSSCGKSA-N 0 3 315.333 0.622 20 5 DCBDHN CC[N@H+](C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590678439 1166968209 /nfs/dbraw/zinc/96/82/09/1166968209.db2.gz SUXHDVYPBNWOMX-JTQLQIEISA-N 0 3 318.341 0.700 20 5 DCBDHN CC[N@@H+](C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590678439 1166968214 /nfs/dbraw/zinc/96/82/14/1166968214.db2.gz SUXHDVYPBNWOMX-JTQLQIEISA-N 0 3 318.341 0.700 20 5 DCBDHN CC[N@H+](C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590678439 1166968219 /nfs/dbraw/zinc/96/82/19/1166968219.db2.gz SUXHDVYPBNWOMX-JTQLQIEISA-N 0 3 318.341 0.700 20 5 DCBDHN CC[N@@H+](C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590678439 1166968223 /nfs/dbraw/zinc/96/82/23/1166968223.db2.gz SUXHDVYPBNWOMX-JTQLQIEISA-N 0 3 318.341 0.700 20 5 DCBDHN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC001603839961 1169407923 /nfs/dbraw/zinc/40/79/23/1169407923.db2.gz OQTFEBVNFALNGZ-XVKPBYJWSA-N 0 3 304.314 0.674 20 5 DCBDHN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC001603839961 1169407927 /nfs/dbraw/zinc/40/79/27/1169407927.db2.gz OQTFEBVNFALNGZ-XVKPBYJWSA-N 0 3 304.314 0.674 20 5 DCBDHN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC001603839961 1169407930 /nfs/dbraw/zinc/40/79/30/1169407930.db2.gz OQTFEBVNFALNGZ-XVKPBYJWSA-N 0 3 304.314 0.674 20 5 DCBDHN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC001603839961 1169407933 /nfs/dbraw/zinc/40/79/33/1169407933.db2.gz OQTFEBVNFALNGZ-XVKPBYJWSA-N 0 3 304.314 0.674 20 5 DCBDHN COC[C@](C)([NH3+])CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605044194 1169793262 /nfs/dbraw/zinc/79/32/62/1169793262.db2.gz JPMNHXVWMKWHRO-GFCCVEGCSA-N 0 3 307.314 0.551 20 5 DCBDHN CC(C)(O)CN1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC001643036338 1171963457 /nfs/dbraw/zinc/96/34/57/1171963457.db2.gz HLRNTSLTQJRIMY-VIFPVBQESA-N 0 3 323.353 0.346 20 5 DCBDHN COC[C@]1(CO)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001643116754 1171966689 /nfs/dbraw/zinc/96/66/89/1171966689.db2.gz CJIDQPORJCNLBI-LSDHHAIUSA-N 0 3 310.350 0.959 20 5 DCBDHN Nc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001644702429 1172016702 /nfs/dbraw/zinc/01/67/02/1172016702.db2.gz CAKHLCVBYOBBHZ-NWDGAFQWSA-N 0 3 320.349 0.458 20 5 DCBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC(N[C@@H]2CCOC2)C1 ZINC001645425202 1172040884 /nfs/dbraw/zinc/04/08/84/1172040884.db2.gz DAGWDPICFHDRGL-GFCCVEGCSA-N 0 3 323.324 0.866 20 5 DCBDHN O=C(CCN1CC[C@@H](O)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654751547 1173811055 /nfs/dbraw/zinc/81/10/55/1173811055.db2.gz GYTXXNIGLPBRCI-SMDDNHRTSA-N 0 3 323.349 0.599 20 5 DCBDHN CCOC(=O)[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001654956915 1173813818 /nfs/dbraw/zinc/81/38/18/1173813818.db2.gz XUVJQOMPMAWMHH-JQWIXIFHSA-N 0 3 312.326 0.037 20 5 DCBDHN COc1ccc(NC(=O)NCCN(C)CCO)cc1[N+](=O)[O-] ZINC001669625764 1174939676 /nfs/dbraw/zinc/93/96/76/1174939676.db2.gz BUYRRQLZGZAFNN-UHFFFAOYSA-N 0 3 312.326 0.649 20 5 DCBDHN COc1ccc(NC(=O)NCCN(C)CCO)c([N+](=O)[O-])c1 ZINC001673750273 1175231094 /nfs/dbraw/zinc/23/10/94/1175231094.db2.gz ZZPKOFNIVLADJK-UHFFFAOYSA-N 0 3 312.326 0.649 20 5 DCBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1oc(C)nc1C ZINC001713484742 1180863174 /nfs/dbraw/zinc/86/31/74/1180863174.db2.gz SODYFWCUMFXQOF-VXGBXAGGSA-N 0 3 310.354 0.895 20 5 DCBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(C)n1 ZINC001731962519 1185609652 /nfs/dbraw/zinc/60/96/52/1185609652.db2.gz OLHQVMMGHKFFFG-UHFFFAOYSA-N 0 3 318.337 0.585 20 5 DCBDHN CCNC(=O)CCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124726441 751698626 /nfs/dbraw/zinc/69/86/26/751698626.db2.gz ANADUUODCHPGCK-UHFFFAOYSA-N 0 3 322.365 0.717 20 5 DCBDHN O=C(Cc1cc[nH]n1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125140955 751821899 /nfs/dbraw/zinc/82/18/99/751821899.db2.gz BUFUVDRLDKAHHQ-UHFFFAOYSA-N 0 3 303.322 0.766 20 5 DCBDHN O=C(CC1OCCCO1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126224166 748325902 /nfs/dbraw/zinc/32/59/02/748325902.db2.gz IGQSCUUJQFURID-UHFFFAOYSA-N 0 3 323.349 0.954 20 5 DCBDHN CNC(=O)NCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126689264 749607381 /nfs/dbraw/zinc/60/73/81/749607381.db2.gz VDXFMZJGUWCQJP-UHFFFAOYSA-N 0 3 323.353 0.120 20 5 DCBDHN O=C(NCCNCc1nccn1C(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001126943394 750156085 /nfs/dbraw/zinc/15/60/85/750156085.db2.gz OBCMTHDKJSFMDE-HTQZYQBOSA-N 0 3 303.269 0.149 20 5 DCBDHN CCOc1cnc(NC(=N)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001168735134 753964514 /nfs/dbraw/zinc/96/45/14/753964514.db2.gz JLPZDRYCBHLHSX-UHFFFAOYSA-N 0 3 308.342 0.983 20 5 DCBDHN COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H](C)[C@H]1CNCCO1 ZINC001170574700 763901343 /nfs/dbraw/zinc/90/13/43/763901343.db2.gz NUQUZYGGIRSIFX-LDYMZIIASA-N 0 3 310.310 0.565 20 5 DCBDHN O=C(NC1CC1)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001116209416 765850339 /nfs/dbraw/zinc/85/03/39/765850339.db2.gz MYDJLWNVAWZNCJ-LLVKDONJSA-N 0 3 307.354 0.782 20 5 DCBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC001138061489 766416746 /nfs/dbraw/zinc/41/67/46/766416746.db2.gz QWENQTYOPNXZFE-AWEZNQCLSA-N 0 3 311.313 0.839 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)C[C@H](O)CO)c1F ZINC001173186287 769556695 /nfs/dbraw/zinc/55/66/95/769556695.db2.gz PKWQHLSGVFTHAQ-ZJUUUORDSA-N 0 3 316.329 0.959 20 5 DCBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001173231502 769568119 /nfs/dbraw/zinc/56/81/19/769568119.db2.gz ZXFZOBWIWYYZNA-VWYCJHECSA-N 0 3 322.365 0.494 20 5 DCBDHN O=C1N[C@@H](C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CO1 ZINC001176664460 770145009 /nfs/dbraw/zinc/14/50/09/770145009.db2.gz LHTZXJVZWQPJTM-GFCCVEGCSA-N 0 3 309.326 0.612 20 5 DCBDHN Nc1ncc(C(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC001159092167 771860199 /nfs/dbraw/zinc/86/01/99/771860199.db2.gz VOTFXWKEVKRMOY-LLVKDONJSA-N 0 3 323.353 0.149 20 5 DCBDHN CN1CCN(CCCNc2ncnc3[nH]cc([N+](=O)[O-])c32)CC1 ZINC001161703807 772269301 /nfs/dbraw/zinc/26/93/01/772269301.db2.gz NJGDRFZZZAQWRR-UHFFFAOYSA-N 0 3 319.369 0.867 20 5 DCBDHN O=C(CCNc1cc2c(cc1[N+](=O)[O-])CNC2)N1CCOCC1 ZINC001161978832 772309869 /nfs/dbraw/zinc/30/98/69/772309869.db2.gz DYBKXBAWDHTCOY-UHFFFAOYSA-N 0 3 320.349 0.859 20 5 DCBDHN O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]c2ncc3cccc([N+](=O)[O-])c3n2)N1 ZINC001163243234 772489385 /nfs/dbraw/zinc/48/93/85/772489385.db2.gz RVUYYQHPQHZZDM-HZMBPMFUSA-N 0 3 314.305 0.528 20 5 DCBDHN CN(C)[C@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319474283 945597849 /nfs/dbraw/zinc/59/78/49/945597849.db2.gz NKDBQXVOHMAKCI-NEPJUHHUSA-N 0 3 322.365 0.746 20 5 DCBDHN Nc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC001324466959 947433111 /nfs/dbraw/zinc/43/31/11/947433111.db2.gz KMKTVRJKXMIWKR-GFCCVEGCSA-N 0 3 322.365 0.754 20 5 DCBDHN Cc1csc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001274014991 951324574 /nfs/dbraw/zinc/32/45/74/951324574.db2.gz GCJASSJAVRGPEI-LVUHIJSRSA-N 0 3 310.379 0.879 20 5 DCBDHN Cc1csc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001274014992 951327047 /nfs/dbraw/zinc/32/70/47/951327047.db2.gz GCJASSJAVRGPEI-WUNPDAOYSA-N 0 3 310.379 0.879 20 5 DCBDHN CNC(=O)c1ccc(N(C)CCN(C)CCO)c([N+](=O)[O-])c1 ZINC001334286904 952279989 /nfs/dbraw/zinc/27/99/89/952279989.db2.gz HPJKXQCPYKTOFY-UHFFFAOYSA-N 0 3 310.354 0.315 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN([C@@H]2CCOC2)CC1 ZINC001334558697 952343642 /nfs/dbraw/zinc/34/36/42/952343642.db2.gz PQHSRGDLFIPCSR-GFCCVEGCSA-N 0 3 323.353 0.161 20 5 DCBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC(N[C@@H]2CCOC2)C1 ZINC001304086551 960074721 /nfs/dbraw/zinc/07/47/21/960074721.db2.gz YNTSSKREGCWWTG-LLVKDONJSA-N 0 3 309.297 0.937 20 5 DCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCCC1 ZINC001450606361 1015245579 /nfs/dbraw/zinc/24/55/79/1015245579.db2.gz BDOBHNKWNJOFGL-NSHDSACASA-N 0 3 322.365 0.823 20 5 DCBDHN CC(COC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)[N+](=O)[O-] ZINC001514773304 1017037837 /nfs/dbraw/zinc/03/78/37/1017037837.db2.gz AHDIJOIMWMFFCN-ZETCQYMHSA-N 0 3 309.282 0.210 20 5 DCBDHN COCC[N@@H+]1CC[C@@H](NC(=O)c2[n-]nc([N+](=O)[O-])c2Cl)C1 ZINC001628163481 1171521163 /nfs/dbraw/zinc/52/11/63/1171521163.db2.gz OZDDDAQETACTAJ-SSDOTTSWSA-N 0 3 317.733 0.422 20 5 DCBDHN COCC[N@H+]1CC[C@@H](NC(=O)c2[n-]nc([N+](=O)[O-])c2Cl)C1 ZINC001628163481 1171521169 /nfs/dbraw/zinc/52/11/69/1171521169.db2.gz OZDDDAQETACTAJ-SSDOTTSWSA-N 0 3 317.733 0.422 20 5 DCBDHN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1=CCN(C)CC1 ZINC000272732829 210139535 /nfs/dbraw/zinc/13/95/35/210139535.db2.gz BYNJJAOASUKWPV-NSHDSACASA-N 0 3 320.349 0.523 20 5 DCBDHN COC[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173999460 198279850 /nfs/dbraw/zinc/27/98/50/198279850.db2.gz SNNLNUBYUWRDLD-JTQLQIEISA-N 0 3 317.367 0.498 20 5 DCBDHN CN1CC=C(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000271817161 209240588 /nfs/dbraw/zinc/24/05/88/209240588.db2.gz CNRGZMPQVWECTM-UHFFFAOYSA-N 0 3 308.342 0.352 20 5 DCBDHN C[C@@H](CN)NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420019316 240005140 /nfs/dbraw/zinc/00/51/40/240005140.db2.gz BOLYKWUFIMXECT-JTQLQIEISA-N 0 3 320.349 0.549 20 5 DCBDHN CCc1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000567109125 291337713 /nfs/dbraw/zinc/33/77/13/291337713.db2.gz UTNVDHBNLGRCTA-CYBMUJFWSA-N 0 3 306.366 0.872 20 5 DCBDHN CNC(=O)[C@]1(C)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000430272983 240387733 /nfs/dbraw/zinc/38/77/33/240387733.db2.gz ZHJCLBIPMJIBCU-OAHLLOKOSA-N 0 3 320.349 0.652 20 5 DCBDHN COC(=O)CC[C@@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000288583081 220257167 /nfs/dbraw/zinc/25/71/67/220257167.db2.gz IUYXKTOYYVHGPE-GFCCVEGCSA-N 0 3 309.322 0.534 20 5 DCBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000064312097 184293753 /nfs/dbraw/zinc/29/37/53/184293753.db2.gz FCPGEMGDARGOKX-GHMZBOCLSA-N 0 3 310.358 0.423 20 5 DCBDHN C[C@H](CN(C)C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000346234952 254025262 /nfs/dbraw/zinc/02/52/62/254025262.db2.gz WWSVWTQURINJJQ-SNVBAGLBSA-N 0 3 323.349 0.975 20 5 DCBDHN Cn1c(C(=O)NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000346249944 254027529 /nfs/dbraw/zinc/02/75/29/254027529.db2.gz NICODSPEFWHEAS-UHFFFAOYSA-N 0 3 310.354 0.510 20 5 DCBDHN CNC(=O)[C@@H]1CCC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000348188811 254226296 /nfs/dbraw/zinc/22/62/96/254226296.db2.gz VZSKCAKINHHDHF-VXGBXAGGSA-N 0 3 308.338 0.261 20 5 DCBDHN CCOC(=O)[C@@H](C)[C@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000351144744 254333885 /nfs/dbraw/zinc/33/38/85/254333885.db2.gz XWDYHFLGNIVFGN-QWRGUYRKSA-N 0 3 311.338 0.934 20 5 DCBDHN CCN(C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351494418 254339862 /nfs/dbraw/zinc/33/98/62/254339862.db2.gz NLKXLMSZLISLOS-UHFFFAOYSA-N 0 3 312.301 0.740 20 5 DCBDHN C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(C)C ZINC000025149070 395693199 /nfs/dbraw/zinc/69/31/99/395693199.db2.gz QPMXCOJQAJYQKC-JTQLQIEISA-N 0 3 318.337 0.855 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CCN(C2CC2)CC1 ZINC000031672499 395707594 /nfs/dbraw/zinc/70/75/94/395707594.db2.gz FPITVBUMVHLEJF-UHFFFAOYSA-N 0 3 320.349 0.500 20 5 DCBDHN CN(C)CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000053695092 395887552 /nfs/dbraw/zinc/88/75/52/395887552.db2.gz SEAINUBLENWLAE-UHFFFAOYSA-N 0 3 306.366 0.914 20 5 DCBDHN CN1CC[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000272551474 395899206 /nfs/dbraw/zinc/89/92/06/395899206.db2.gz CYYYEMGSFHZHHX-AAEUAGOBSA-N 0 3 320.349 0.309 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000053254410 395878970 /nfs/dbraw/zinc/87/89/70/395878970.db2.gz QRJHCGWLSYWRAZ-VIFPVBQESA-N 0 3 315.351 0.634 20 5 DCBDHN C[C@H](CN)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000274461612 395950432 /nfs/dbraw/zinc/95/04/32/395950432.db2.gz VEGVACCXCCPWFB-SSDOTTSWSA-N 0 3 301.324 0.075 20 5 DCBDHN CNCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000070303878 396101077 /nfs/dbraw/zinc/10/10/77/396101077.db2.gz QMPOGJWOEKIREM-UHFFFAOYSA-N 0 3 303.340 0.443 20 5 DCBDHN COC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCO1 ZINC000279102067 396153385 /nfs/dbraw/zinc/15/33/85/396153385.db2.gz RDHWIPSGIAKBMW-CHWSQXEVSA-N 0 3 311.338 0.540 20 5 DCBDHN COCCNCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000179380145 396225779 /nfs/dbraw/zinc/22/57/79/396225779.db2.gz YWVKJYUFQVBCFY-UHFFFAOYSA-N 0 3 317.367 0.250 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000580064069 396485220 /nfs/dbraw/zinc/48/52/20/396485220.db2.gz JMESCLAKJPTEPI-QMMMGPOBSA-N 0 3 309.278 0.042 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCNC2(CCCCC2)C1 ZINC000594628734 396491731 /nfs/dbraw/zinc/49/17/31/396491731.db2.gz FXRPXDWLIYYRQS-UHFFFAOYSA-N 0 3 308.342 0.321 20 5 DCBDHN CC(C)[N@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000584748956 396620169 /nfs/dbraw/zinc/62/01/69/396620169.db2.gz KKHHYBTZFOVITF-SNVBAGLBSA-N 0 3 316.383 0.997 20 5 DCBDHN CC(C)[N@@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000584748956 396620172 /nfs/dbraw/zinc/62/01/72/396620172.db2.gz KKHHYBTZFOVITF-SNVBAGLBSA-N 0 3 316.383 0.997 20 5 DCBDHN Cc1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000588873635 396697196 /nfs/dbraw/zinc/69/71/96/396697196.db2.gz NIVCWBXQOXULBS-LLVKDONJSA-N 0 3 322.365 0.699 20 5 DCBDHN CN(C)CCN(CC(=O)N(C)C)c1ncc([N+](=O)[O-])cc1F ZINC000596462093 396782208 /nfs/dbraw/zinc/78/22/08/396782208.db2.gz LCSKPQUGMIWSPQ-UHFFFAOYSA-N 0 3 313.333 0.585 20 5 DCBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000564227830 396818801 /nfs/dbraw/zinc/81/88/01/396818801.db2.gz ROLSMLLLOLKTBE-QWRGUYRKSA-N 0 3 305.338 0.355 20 5 DCBDHN COc1cc(CNC[C@@H]2CCCNC2=O)c([N+](=O)[O-])cc1O ZINC000590971851 396862195 /nfs/dbraw/zinc/86/21/95/396862195.db2.gz QJRUROWEGPUZEE-VIFPVBQESA-N 0 3 309.322 0.925 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2C[C@@H](O)C2)cc1 ZINC000600756647 396939397 /nfs/dbraw/zinc/93/93/97/396939397.db2.gz NNGVVXNUTCOKBA-KLPPZKSPSA-N 0 3 314.363 0.729 20 5 DCBDHN CN(C)c1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000591757396 396999055 /nfs/dbraw/zinc/99/90/55/396999055.db2.gz XCGHICMSISINNP-CYBMUJFWSA-N 0 3 320.353 0.403 20 5 DCBDHN O=C1CCC[C@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)N1 ZINC000591763756 396999121 /nfs/dbraw/zinc/99/91/21/396999121.db2.gz HMCSXRUTYHHXHQ-DGCLKSJQSA-N 0 3 323.349 0.593 20 5 DCBDHN Cc1nn(CCC(=O)N2CCN3CC[C@H]2C3)c(C)c1[N+](=O)[O-] ZINC000597710987 397072558 /nfs/dbraw/zinc/07/25/58/397072558.db2.gz ZIUMIPRXLQQDHZ-LBPRGKRZSA-N 0 3 307.354 0.715 20 5 DCBDHN Cc1cc(OCC(=O)N[C@@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000597654997 397046060 /nfs/dbraw/zinc/04/60/60/397046060.db2.gz XELYMYMHMSEKQK-LLVKDONJSA-N 0 3 311.338 0.321 20 5 DCBDHN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCNC1CC1 ZINC000592366926 397161297 /nfs/dbraw/zinc/16/12/97/397161297.db2.gz KCXRRAMDOQEKMZ-UHFFFAOYSA-N 0 3 313.379 0.809 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3cn[nH]c3)CC2)c1 ZINC000377908782 397162432 /nfs/dbraw/zinc/16/24/32/397162432.db2.gz IJADYFDJJFDWLT-AWEZNQCLSA-N 0 3 320.353 0.755 20 5 DCBDHN Cn1ccc(CCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000573599072 397186197 /nfs/dbraw/zinc/18/61/97/397186197.db2.gz SLSLYAFWJUOZEV-AWEZNQCLSA-N 0 3 320.349 0.900 20 5 DCBDHN COC(=O)[C@H]1CNCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000592489749 397190198 /nfs/dbraw/zinc/19/01/98/397190198.db2.gz UTGKTQHEJWNKHR-CQSZACIVSA-N 0 3 323.349 0.811 20 5 DCBDHN COc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1O ZINC000573677095 397193851 /nfs/dbraw/zinc/19/38/51/397193851.db2.gz SIFMSKXYDKENOF-LBPRGKRZSA-N 0 3 322.321 0.656 20 5 DCBDHN CC(C)(NC(=O)CN1CCNCC1)c1ccc([N+](=O)[O-])cc1 ZINC000602463873 397409245 /nfs/dbraw/zinc/40/92/45/397409245.db2.gz XMKLBSDFFNEBCD-UHFFFAOYSA-N 0 3 306.366 0.851 20 5 DCBDHN CN(C)C(=O)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578758865 397479970 /nfs/dbraw/zinc/47/99/70/397479970.db2.gz CTBZEHQBFCCDRF-GFCCVEGCSA-N 0 3 311.338 0.402 20 5 DCBDHN COC(=O)[C@@]1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000602931513 397527110 /nfs/dbraw/zinc/52/71/10/397527110.db2.gz MOFCLFYOWDUXNN-NHYWBVRUSA-N 0 3 323.349 0.888 20 5 DCBDHN CN(CCCNCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000608781955 397755206 /nfs/dbraw/zinc/75/52/06/397755206.db2.gz NDKBGJSJIKZDHE-UHFFFAOYSA-N 0 3 301.368 0.966 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1COC[C@@H]1O ZINC000352805147 415330045 /nfs/dbraw/zinc/33/00/45/415330045.db2.gz RCZJJTHHKAQHAO-KGLIPLIRSA-N 0 3 323.349 0.923 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)[C@@H](O)C1 ZINC000278819162 415491529 /nfs/dbraw/zinc/49/15/29/415491529.db2.gz POQJCPVOJAKMRN-STQMWFEESA-N 0 3 309.322 0.269 20 5 DCBDHN CO[C@H]1C[C@H](CN(C)c2cccc(C(N)=O)c2[N+](=O)[O-])N(C)C1 ZINC000343876917 415763687 /nfs/dbraw/zinc/76/36/87/415763687.db2.gz WGNZMXOIPLWWSM-MNOVXSKESA-N 0 3 322.365 0.849 20 5 DCBDHN COCCN1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290506161 415812319 /nfs/dbraw/zinc/81/23/19/415812319.db2.gz DXDXIZWIDHLRGG-UHFFFAOYSA-N 0 3 323.353 0.611 20 5 DCBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1N1CCCC1 ZINC000356114935 415872796 /nfs/dbraw/zinc/87/27/96/415872796.db2.gz JFLXVCIXMRWDFU-GHMZBOCLSA-N 0 3 324.410 0.983 20 5 DCBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)CN1CCN(C)CC1 ZINC000298970053 416042374 /nfs/dbraw/zinc/04/23/74/416042374.db2.gz DHPOODHIBVKAAF-LLVKDONJSA-N 0 3 309.370 0.536 20 5 DCBDHN CN(C)C(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345667600 416129983 /nfs/dbraw/zinc/12/99/83/416129983.db2.gz VQKXYGNXJSVIRJ-LLVKDONJSA-N 0 3 307.354 0.954 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000415443161 416343377 /nfs/dbraw/zinc/34/33/77/416343377.db2.gz BYOPQYMVSZWVRG-GFCCVEGCSA-N 0 3 306.322 0.695 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1CNC1 ZINC000415743946 416353208 /nfs/dbraw/zinc/35/32/08/416353208.db2.gz NYUSLNJKVGUSIL-UHFFFAOYSA-N 0 3 322.321 0.362 20 5 DCBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000364806129 416594780 /nfs/dbraw/zinc/59/47/80/416594780.db2.gz IOJPOXXUKBFRCI-JTQLQIEISA-N 0 3 322.369 0.657 20 5 DCBDHN CN1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)C1 ZINC000362946642 416571894 /nfs/dbraw/zinc/57/18/94/416571894.db2.gz YOQGBNGBBDYBEH-LLVKDONJSA-N 0 3 321.385 0.183 20 5 DCBDHN N[C@H](Cc1ccccc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423913024 416588311 /nfs/dbraw/zinc/58/83/11/416588311.db2.gz WOGWRZZNIDLDNK-CYBMUJFWSA-N 0 3 303.322 0.478 20 5 DCBDHN CNCCN(C)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000440844157 416650941 /nfs/dbraw/zinc/65/09/41/416650941.db2.gz MHCAUENASUTDRK-UHFFFAOYSA-N 0 3 321.330 0.582 20 5 DCBDHN CN1CCC[C@@H](N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000610485222 416656935 /nfs/dbraw/zinc/65/69/35/416656935.db2.gz OQISVUGDCOFIJZ-CQSZACIVSA-N 0 3 322.413 0.503 20 5 DCBDHN Nc1nc(N2CCCN(C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000610489097 416658469 /nfs/dbraw/zinc/65/84/69/416658469.db2.gz APXIYJSXEIPFDH-NSHDSACASA-N 0 3 322.369 0.658 20 5 DCBDHN CCOC(=O)CCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441507165 416673069 /nfs/dbraw/zinc/67/30/69/416673069.db2.gz UKZSOPUJSJBNSF-LLVKDONJSA-N 0 3 300.315 0.037 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000427691267 416837183 /nfs/dbraw/zinc/83/71/83/416837183.db2.gz WXKVQKMGXGLVQO-CQSZACIVSA-N 0 3 309.322 0.400 20 5 DCBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000568528991 417147629 /nfs/dbraw/zinc/14/76/29/417147629.db2.gz IPOSTDDBZXCBCC-SNVBAGLBSA-N 0 3 307.354 0.986 20 5 DCBDHN C[C@@H]1CN(CCCNc2ncc([N+](=O)[O-])c(N)n2)CCCO1 ZINC000432872286 417212424 /nfs/dbraw/zinc/21/24/24/417212424.db2.gz LQFXYUXDWDLHJF-SNVBAGLBSA-N 0 3 310.358 0.302 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2c(c1)CNCCO2 ZINC000361094011 261896134 /nfs/dbraw/zinc/89/61/34/261896134.db2.gz DTPBTRYKMUXQOW-UHFFFAOYSA-N 0 3 318.293 0.307 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CO)c2cccc(F)c2)c1 ZINC000359626786 271133662 /nfs/dbraw/zinc/13/36/62/271133662.db2.gz RLWFQHFQHLXNTB-KBPBESRZSA-N 0 3 324.312 0.615 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492557119 272135404 /nfs/dbraw/zinc/13/54/04/272135404.db2.gz BLGQTJSSNOHROD-SJDLMVEWSA-N 0 3 323.324 0.930 20 5 DCBDHN O=C1OCCN1C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000495870156 272278464 /nfs/dbraw/zinc/27/84/64/272278464.db2.gz SUDHTIJJCWINPK-NSHDSACASA-N 0 3 309.326 0.565 20 5 DCBDHN CC(COC(=O)COC1CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000495954007 272284269 /nfs/dbraw/zinc/28/42/69/272284269.db2.gz YLGJPXWEDMVWOB-SECBINFHSA-N 0 3 318.326 0.831 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069240 272528390 /nfs/dbraw/zinc/52/83/90/272528390.db2.gz CZCKOANKISPCGO-TZMCWYRMSA-N 0 3 320.349 0.217 20 5 DCBDHN CO[C@H](CN)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261980443 277327936 /nfs/dbraw/zinc/32/79/36/277327936.db2.gz AIPQZLOSMJAUBX-CYBMUJFWSA-N 0 3 308.338 0.217 20 5 DCBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549204045 288194605 /nfs/dbraw/zinc/19/46/05/288194605.db2.gz FJNHGBOJVGBONI-SNVBAGLBSA-N 0 3 311.342 0.501 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565548306 288861679 /nfs/dbraw/zinc/86/16/79/288861679.db2.gz GOECLQQRMGLDNW-MWLCHTKSSA-N 0 3 322.296 0.118 20 5 DCBDHN CS[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1N(C)C ZINC000332655680 534120978 /nfs/dbraw/zinc/12/09/78/534120978.db2.gz DVCGDJDIUQPDBB-ZJUUUORDSA-N 0 3 313.383 0.446 20 5 DCBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000191623378 521682656 /nfs/dbraw/zinc/68/26/56/521682656.db2.gz FMVVPDSJTLSHCQ-UHFFFAOYSA-N 0 3 321.381 0.544 20 5 DCBDHN COc1cc(CNC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc1[O-] ZINC000131483418 522458960 /nfs/dbraw/zinc/45/89/60/522458960.db2.gz BZAQNAWAXLQXNV-CQSZACIVSA-N 0 3 313.354 0.711 20 5 DCBDHN CN(CCc1nccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000158012347 522991858 /nfs/dbraw/zinc/99/18/58/522991858.db2.gz WERFNYXDHMEYCA-LLVKDONJSA-N 0 3 311.367 0.783 20 5 DCBDHN COC(=O)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266566844 523683959 /nfs/dbraw/zinc/68/39/59/523683959.db2.gz ZXAFYLSKSNGXPX-ZYHUDNBSSA-N 0 3 312.326 0.037 20 5 DCBDHN COCCNCCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000237276492 523937240 /nfs/dbraw/zinc/93/72/40/523937240.db2.gz JINWEZQQTVSYRS-UHFFFAOYSA-N 0 3 313.358 0.150 20 5 DCBDHN C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736757709 598500850 /nfs/dbraw/zinc/50/08/50/598500850.db2.gz WYLYIDSDLBNFDO-VIFPVBQESA-N 0 3 318.341 0.700 20 5 DCBDHN C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736757709 598500851 /nfs/dbraw/zinc/50/08/51/598500851.db2.gz WYLYIDSDLBNFDO-VIFPVBQESA-N 0 3 318.341 0.700 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)C2CC2)C1 ZINC000982969281 661730537 /nfs/dbraw/zinc/73/05/37/661730537.db2.gz CAIJRZZBELTHIZ-HOMQSWHASA-N 0 3 307.354 0.723 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)C2CC2)CC1 ZINC000989835908 662982090 /nfs/dbraw/zinc/98/20/90/662982090.db2.gz FJDWAPZRKIUSKE-UHFFFAOYSA-N 0 3 307.354 0.819 20 5 DCBDHN CN1CCOC[C@]1(CO)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903277200 663451489 /nfs/dbraw/zinc/45/14/89/663451489.db2.gz FCBIPFAMAGGUEV-GDBMZVCRSA-N 0 3 321.377 0.865 20 5 DCBDHN CC(C)(C)OC(=O)NC1CCN(CCNCC[N+](=O)[O-])CC1 ZINC000905527337 663563715 /nfs/dbraw/zinc/56/37/15/663563715.db2.gz APJNISTUBMKACP-UHFFFAOYSA-N 0 3 316.402 0.842 20 5 DCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3OCCN[C@@H]3C2)c1 ZINC000923385012 667522128 /nfs/dbraw/zinc/52/21/28/667522128.db2.gz SGHLPYPACKYNOL-KFWWJZLASA-N 0 3 307.350 0.691 20 5 DCBDHN CN(C)CCN1CCN(Cc2cccnc2[N+](=O)[O-])CC1=O ZINC000886267519 667749576 /nfs/dbraw/zinc/74/95/76/667749576.db2.gz PEZCMIQTHDYMHP-UHFFFAOYSA-N 0 3 307.354 0.196 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000747232254 667897855 /nfs/dbraw/zinc/89/78/55/667897855.db2.gz VLICREXRJNZNHZ-JQWIXIFHSA-N 0 3 308.338 0.526 20 5 DCBDHN Cn1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000747232052 667898354 /nfs/dbraw/zinc/89/83/54/667898354.db2.gz QBIUBCDSESKHCG-GHMZBOCLSA-N 0 3 308.338 0.526 20 5 DCBDHN CN(C)C[C@H]1NC(=O)N(CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000924514728 668213885 /nfs/dbraw/zinc/21/38/85/668213885.db2.gz SNEYLWSDMQIJSE-GFCCVEGCSA-N 0 3 306.322 0.619 20 5 DCBDHN CN1CCCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000876805853 668514530 /nfs/dbraw/zinc/51/45/30/668514530.db2.gz GLWIDVBQYMEBFF-HNNXBMFYSA-N 0 3 306.366 0.933 20 5 DCBDHN O=[N+]([O-])CCN1CCCC2(CCCN(CC[N+](=O)[O-])C2)C1 ZINC000930510587 669031812 /nfs/dbraw/zinc/03/18/12/669031812.db2.gz AHOCZEFLNVPHEI-UHFFFAOYSA-N 0 3 300.359 0.718 20 5 DCBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000930874170 669098592 /nfs/dbraw/zinc/09/85/92/669098592.db2.gz FDYQAOSOKPPRMJ-ZYHUDNBSSA-N 0 3 305.338 0.888 20 5 DCBDHN CC(COC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N+](=O)[O-] ZINC000813111184 670611758 /nfs/dbraw/zinc/61/17/58/670611758.db2.gz PVIGBTLTVNDGSK-LNFKQOIKSA-N 0 3 312.322 0.759 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(N2CC(CN3CCN(C)CC3)C2)n1 ZINC000858611867 671021644 /nfs/dbraw/zinc/02/16/44/671021644.db2.gz UQWFUECBWKKEIE-UHFFFAOYSA-N 0 3 305.382 0.982 20 5 DCBDHN CN(CC1CN(C)C1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000853555971 671243350 /nfs/dbraw/zinc/24/33/50/671243350.db2.gz UERHYXYBWDCMHL-UHFFFAOYSA-N 0 3 318.333 0.642 20 5 DCBDHN CCc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001020139281 693709529 /nfs/dbraw/zinc/70/95/29/693709529.db2.gz WPUOOGUPGIOTSZ-CNVPUSNMSA-N 0 3 308.338 0.639 20 5 DCBDHN Cc1n[nH]nc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001567541927 1160413079 /nfs/dbraw/zinc/41/30/79/1160413079.db2.gz ISJPVYFWBCAVBM-UHFFFAOYSA-N 0 3 318.337 0.883 20 5 DCBDHN C[C@@H](N)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001573554704 1163498057 /nfs/dbraw/zinc/49/80/57/1163498057.db2.gz YZMBEDIAQBLWCL-SNVBAGLBSA-N 0 3 307.354 0.632 20 5 DCBDHN NC(=O)c1cc(N2CC[C@@]3(C2)CNCCO3)ccc1[N+](=O)[O-] ZINC001580101211 1165502415 /nfs/dbraw/zinc/50/24/15/1165502415.db2.gz NQXXBVDBGSMTJU-AWEZNQCLSA-N 0 3 306.322 0.262 20 5 DCBDHN COc1cccc(C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCN2)c1 ZINC001586362810 1166493566 /nfs/dbraw/zinc/49/35/66/1166493566.db2.gz FVPHHDLWBSGWLI-NWANDNLSSA-N 0 3 319.361 0.703 20 5 DCBDHN C[C@@H](CO)[C@H](C)[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589887246 1166708509 /nfs/dbraw/zinc/70/85/09/1166708509.db2.gz PWOSHGDUUMZIQR-IUCAKERBSA-N 0 3 306.326 0.881 20 5 DCBDHN C[C@@H](CO)[C@H](C)[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589887246 1166708512 /nfs/dbraw/zinc/70/85/12/1166708512.db2.gz PWOSHGDUUMZIQR-IUCAKERBSA-N 0 3 306.326 0.881 20 5 DCBDHN C[NH+]1CCC(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591179151 1167129879 /nfs/dbraw/zinc/12/98/79/1167129879.db2.gz BNVFPWDETYXRCE-UHFFFAOYSA-N 0 3 318.341 0.924 20 5 DCBDHN C[NH+]1CCC(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591179151 1167129884 /nfs/dbraw/zinc/12/98/84/1167129884.db2.gz BNVFPWDETYXRCE-UHFFFAOYSA-N 0 3 318.341 0.924 20 5 DCBDHN C[NH+](C)CC1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604679652 1169652630 /nfs/dbraw/zinc/65/26/30/1169652630.db2.gz AMHGMBYQLASUKD-UHFFFAOYSA-N 0 3 321.316 0.912 20 5 DCBDHN C[NH+](C)CC1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604679652 1169652633 /nfs/dbraw/zinc/65/26/33/1169652633.db2.gz AMHGMBYQLASUKD-UHFFFAOYSA-N 0 3 321.316 0.912 20 5 DCBDHN CN(CCO)CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001634744336 1171686650 /nfs/dbraw/zinc/68/66/50/1171686650.db2.gz FEZFDQRSMDUIIU-UHFFFAOYSA-N 0 3 316.745 0.484 20 5 DCBDHN Cc1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001640128892 1171867108 /nfs/dbraw/zinc/86/71/08/1171867108.db2.gz YDCRZRDPQGPVCQ-WDEREUQCSA-N 0 3 323.353 0.298 20 5 DCBDHN Cc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001640128892 1171867111 /nfs/dbraw/zinc/86/71/11/1171867111.db2.gz YDCRZRDPQGPVCQ-WDEREUQCSA-N 0 3 323.353 0.298 20 5 DCBDHN CN1CCC(N(CCO)C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001640279671 1171874588 /nfs/dbraw/zinc/87/45/88/1171874588.db2.gz FTGOLNOKYPQZFG-UHFFFAOYSA-N 0 3 322.365 0.706 20 5 DCBDHN COC(=O)c1cc(C)nc(NCCN(C)CCO)c1[N+](=O)[O-] ZINC001651411569 1173748529 /nfs/dbraw/zinc/74/85/29/1173748529.db2.gz CHSDRXAXKMOHDV-UHFFFAOYSA-N 0 3 312.326 0.421 20 5 DCBDHN CCN(CCNCc1ccn(CC)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715730064 1181962596 /nfs/dbraw/zinc/96/25/96/1181962596.db2.gz AMYZUPPQSACSHT-CHWSQXEVSA-N 0 3 309.370 0.506 20 5 DCBDHN NC(=O)CC(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001715796680 1182007040 /nfs/dbraw/zinc/00/70/40/1182007040.db2.gz BUNXMHGRTASCDY-OWOJBTEDSA-N 0 3 306.322 0.232 20 5 DCBDHN CCNC(=O)CCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124726432 751698611 /nfs/dbraw/zinc/69/86/11/751698611.db2.gz ADCGTOZFXCHEAU-UHFFFAOYSA-N 0 3 322.365 0.717 20 5 DCBDHN CCN(CC)CC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001100121146 760375165 /nfs/dbraw/zinc/37/51/65/760375165.db2.gz IHPQMPJBVUMGCS-UHFFFAOYSA-N 0 3 309.370 0.884 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)Cc1ccco1 ZINC001168908900 760507554 /nfs/dbraw/zinc/50/75/54/760507554.db2.gz JTSWBJHFYGKKLU-UHFFFAOYSA-N 0 3 321.337 0.760 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cnsn1 ZINC001124153974 768152794 /nfs/dbraw/zinc/15/27/94/768152794.db2.gz AKXQUEMUFYJZDB-UHFFFAOYSA-N 0 3 307.335 0.966 20 5 DCBDHN CN(C)C(=O)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001134939517 765737971 /nfs/dbraw/zinc/73/79/71/765737971.db2.gz ZXGITDRWMWBRGT-UHFFFAOYSA-N 0 3 308.338 0.279 20 5 DCBDHN Cc1c(CN)c(NC(=O)CCn2cc([N+](=O)[O-])cn2)nn1C ZINC001118507230 766337863 /nfs/dbraw/zinc/33/78/63/766337863.db2.gz TXQKUACKXPOTII-UHFFFAOYSA-N 0 3 307.314 0.321 20 5 DCBDHN CN1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC001118707947 766411841 /nfs/dbraw/zinc/41/18/41/766411841.db2.gz NMSNMPUAHVIMEB-UHFFFAOYSA-N 0 3 307.354 0.242 20 5 DCBDHN COCCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(CCF)CC1 ZINC001151122066 769266336 /nfs/dbraw/zinc/26/63/36/769266336.db2.gz XFHREVBPKQBJFX-VXGBXAGGSA-N 0 3 317.361 0.608 20 5 DCBDHN NC(=O)[C@@H](C1CC1)N(CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC001175503311 769914748 /nfs/dbraw/zinc/91/47/48/769914748.db2.gz KSURLVHBQVLOKB-CYBMUJFWSA-N 0 3 307.354 0.767 20 5 DCBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC(N[C@H]2CCOC2)C1 ZINC001179007988 770927303 /nfs/dbraw/zinc/92/73/03/770927303.db2.gz GFSZVKIGPAMOOX-NSHDSACASA-N 0 3 323.324 0.866 20 5 DCBDHN O=C(Cn1nccn1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001158922173 771834793 /nfs/dbraw/zinc/83/47/93/771834793.db2.gz UOKWWNSJSOUBOA-UHFFFAOYSA-N 0 3 324.366 0.544 20 5 DCBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1CNCCO1 ZINC001159497583 771919699 /nfs/dbraw/zinc/91/96/99/771919699.db2.gz IYKXGENFYZQMTQ-SKDRFNHKSA-N 0 3 324.337 0.955 20 5 DCBDHN C[C@H](Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@H]1CNCCO1 ZINC001159500211 771920401 /nfs/dbraw/zinc/92/04/01/771920401.db2.gz QXRVEFPBOIQKRQ-IONNQARKSA-N 0 3 302.718 0.670 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CNCCO2)n1 ZINC001159503347 771920906 /nfs/dbraw/zinc/92/09/06/771920906.db2.gz WMKBYSMYJARKQL-KWQFWETISA-N 0 3 310.310 0.565 20 5 DCBDHN CCOC(=O)c1ccnc(N[C@@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159502455 771921078 /nfs/dbraw/zinc/92/10/78/771921078.db2.gz NBKVQYAXBKNULU-GXSJLCMTSA-N 0 3 324.337 0.955 20 5 DCBDHN NC(=O)C(=O)NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224293341 775554144 /nfs/dbraw/zinc/55/41/44/775554144.db2.gz JJRDGGJPUSUUTC-UHFFFAOYSA-N 0 3 320.349 0.408 20 5 DCBDHN COC(=O)c1ccc([O-])cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228191524 776056293 /nfs/dbraw/zinc/05/62/93/776056293.db2.gz XZCOZCRFAQDKPC-LLVKDONJSA-O 0 3 312.342 0.541 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1[n-]c(=S)nc2[nH]ccc21 ZINC001228529838 776094019 /nfs/dbraw/zinc/09/40/19/776094019.db2.gz CKCICMMKRVHEGV-MRVPVSSYSA-O 0 3 311.387 0.609 20 5 DCBDHN COc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001272014234 941519353 /nfs/dbraw/zinc/51/93/53/941519353.db2.gz YSIZZSYXSLWLFG-CHWSQXEVSA-N 0 3 322.365 0.646 20 5 DCBDHN COC(=O)[C@@H]1CNCCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246857628 945506580 /nfs/dbraw/zinc/50/65/80/945506580.db2.gz RIAQEJBSIGOONR-KGLIPLIRSA-N 0 3 305.334 0.509 20 5 DCBDHN Cc1nn(C)c(C(=O)Nc2ccnn2CCN(C)C)c1[N+](=O)[O-] ZINC001324616715 947481599 /nfs/dbraw/zinc/48/15/99/947481599.db2.gz LOAFPECTQWWJOR-UHFFFAOYSA-N 0 3 321.341 0.647 20 5 DCBDHN Cc1n[nH]c(C(=O)NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC001325124153 947667055 /nfs/dbraw/zinc/66/70/55/947667055.db2.gz XHRSVENHYIUMEE-UHFFFAOYSA-N 0 3 324.385 0.384 20 5 DCBDHN CCN1CCN(CCCNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001336700166 952754614 /nfs/dbraw/zinc/75/46/14/952754614.db2.gz YGVWINDVPQMYIT-UHFFFAOYSA-N 0 3 324.385 0.086 20 5 DCBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CNCCN1C)CC2 ZINC001341808662 953251644 /nfs/dbraw/zinc/25/16/44/953251644.db2.gz DXXOHTZGHOXGGU-AWEZNQCLSA-N 0 3 304.350 0.696 20 5 DCBDHN CCOC(=O)[C@H]1CNCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001346016781 953787075 /nfs/dbraw/zinc/78/70/75/953787075.db2.gz FWZSRVFOGLFMDO-CQSZACIVSA-N 0 3 323.349 0.811 20 5 DCBDHN COCCN1CCC(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001292116287 956928500 /nfs/dbraw/zinc/92/85/00/956928500.db2.gz MGWFSKGTCPYWKA-UHFFFAOYSA-N 0 3 323.353 0.413 20 5 DCBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC(N[C@H]2CCOC2)C1 ZINC001558548758 1012365357 /nfs/dbraw/zinc/36/53/57/1012365357.db2.gz GTLSLRQPDJZZBE-NSHDSACASA-N 0 3 321.333 0.563 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN(C)CCO ZINC001476452280 1017196973 /nfs/dbraw/zinc/19/69/73/1017196973.db2.gz DWLWQYWSUMWQJQ-UHFFFAOYSA-N 0 3 312.326 0.649 20 5 DCBDHN CC[C@]1(CO)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187519005 529425026 /nfs/dbraw/zinc/42/50/26/529425026.db2.gz PYIFDUICIIXYCZ-KBPBESRZSA-N 0 3 312.370 0.637 20 5 DCBDHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000566091299 291268192 /nfs/dbraw/zinc/26/81/92/291268192.db2.gz TZHJWDYTZCJJJR-UONOGXRCSA-N 0 3 323.349 0.857 20 5 DCBDHN Cn1cnc(CCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000566110609 291270754 /nfs/dbraw/zinc/27/07/54/291270754.db2.gz NHALFCGYNBFKCU-GFCCVEGCSA-N 0 3 321.337 0.295 20 5 DCBDHN CN(C[C@H]1CCCN1C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000420823606 240064800 /nfs/dbraw/zinc/06/48/00/240064800.db2.gz VMSLMOKHFDJZRG-LLVKDONJSA-N 0 3 310.358 0.527 20 5 DCBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567180240 291341702 /nfs/dbraw/zinc/34/17/02/291341702.db2.gz CZOVDIYMHZQWMI-WZRBSPASSA-N 0 3 304.350 0.900 20 5 DCBDHN COCCN1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000266105522 205101023 /nfs/dbraw/zinc/10/10/23/205101023.db2.gz LPWNWHAJHZTGDP-ZDUSSCGKSA-N 0 3 307.350 0.974 20 5 DCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282906411 217316125 /nfs/dbraw/zinc/31/61/25/217316125.db2.gz FIGHAVHTVPLVGK-ZETCQYMHSA-N 0 3 317.298 0.641 20 5 DCBDHN COC(=O)CC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000288488225 220174184 /nfs/dbraw/zinc/17/41/84/220174184.db2.gz CRTZRMUPNHAGLR-NSHDSACASA-N 0 3 307.306 0.764 20 5 DCBDHN C[C@@H](CN(C)C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000346234951 254025203 /nfs/dbraw/zinc/02/52/03/254025203.db2.gz WWSVWTQURINJJQ-JTQLQIEISA-N 0 3 323.349 0.975 20 5 DCBDHN C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000275469627 130324333 /nfs/dbraw/zinc/32/43/33/130324333.db2.gz RGKUYJZPNGIUGF-SNVBAGLBSA-N 0 3 310.354 0.840 20 5 DCBDHN C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000275469627 130324337 /nfs/dbraw/zinc/32/43/37/130324337.db2.gz RGKUYJZPNGIUGF-SNVBAGLBSA-N 0 3 310.354 0.840 20 5 DCBDHN C[C@H](O)CN(CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289361023 131377671 /nfs/dbraw/zinc/37/76/71/131377671.db2.gz AHCWOJIOIVIEDD-RYUDHWBXSA-N 0 3 314.338 0.010 20 5 DCBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000115438535 395840031 /nfs/dbraw/zinc/84/00/31/395840031.db2.gz SNKSGJUWKXMTSV-LBPRGKRZSA-N 0 3 322.365 0.557 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272503941 395896105 /nfs/dbraw/zinc/89/61/05/395896105.db2.gz OBISSYSFQSMJDC-VXGBXAGGSA-N 0 3 307.354 0.652 20 5 DCBDHN CN(CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CC1 ZINC000138706035 395953054 /nfs/dbraw/zinc/95/30/54/395953054.db2.gz ZIIMQCCEBYPPFW-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000247451006 395974278 /nfs/dbraw/zinc/97/42/78/395974278.db2.gz QFTLVHCJHFJSPI-ZYHUDNBSSA-N 0 3 309.370 0.898 20 5 DCBDHN C[C@@H](CN1CCCCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151269535 395982915 /nfs/dbraw/zinc/98/29/15/395982915.db2.gz GJALCPIAHBRUEY-LBPRGKRZSA-N 0 3 324.385 0.965 20 5 DCBDHN CC(C)N1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000068776687 396063416 /nfs/dbraw/zinc/06/34/16/396063416.db2.gz VNQCHDKSVCXSCU-UHFFFAOYSA-N 0 3 322.365 0.699 20 5 DCBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000177777474 396183168 /nfs/dbraw/zinc/18/31/68/396183168.db2.gz KZOWTXNZHCKXAV-NEPJUHHUSA-N 0 3 307.354 0.877 20 5 DCBDHN CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCN(C)CC1 ZINC000264185602 396260951 /nfs/dbraw/zinc/26/09/51/396260951.db2.gz MYHBLXJUXBJRHW-UHFFFAOYSA-N 0 3 308.338 0.309 20 5 DCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1CC(C)(C)O ZINC000189955055 396400773 /nfs/dbraw/zinc/40/07/73/396400773.db2.gz KYKBIGJJXDURSG-LBPRGKRZSA-N 0 3 311.386 0.568 20 5 DCBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586797793 396666302 /nfs/dbraw/zinc/66/63/02/396666302.db2.gz DEAAAVCQGVPYML-JTQLQIEISA-N 0 3 309.326 0.301 20 5 DCBDHN Nc1c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588862460 396695933 /nfs/dbraw/zinc/69/59/33/396695933.db2.gz BRFBKASRIDNOAI-QWRGUYRKSA-N 0 3 320.349 0.458 20 5 DCBDHN NC(=O)[C@H]1CCC[N@H+](CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596104253 396717512 /nfs/dbraw/zinc/71/75/12/396717512.db2.gz IQPCRDGQQGGCPJ-JTQLQIEISA-N 0 3 323.353 0.695 20 5 DCBDHN NC(=O)[C@H]1CCC[N@@H+](CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596104253 396717514 /nfs/dbraw/zinc/71/75/14/396717514.db2.gz IQPCRDGQQGGCPJ-JTQLQIEISA-N 0 3 323.353 0.695 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000596210367 396733051 /nfs/dbraw/zinc/73/30/51/396733051.db2.gz HJAWIYUGRZFTNL-STQMWFEESA-N 0 3 308.338 0.411 20 5 DCBDHN CC[C@@H](CN1CCCC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000610970684 396796641 /nfs/dbraw/zinc/79/66/41/396796641.db2.gz YWPKGYMFKGINNQ-LBPRGKRZSA-N 0 3 322.365 0.747 20 5 DCBDHN C[C@](CO)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000322480701 396819572 /nfs/dbraw/zinc/81/95/72/396819572.db2.gz BQCKSFOBYXGLLO-LSDHHAIUSA-N 0 3 320.349 0.650 20 5 DCBDHN CCCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C)C1 ZINC000591989627 397054973 /nfs/dbraw/zinc/05/49/73/397054973.db2.gz MAEPGTOWHDZBIU-GFCCVEGCSA-N 0 3 324.385 0.917 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000592241753 397136293 /nfs/dbraw/zinc/13/62/93/397136293.db2.gz GWGSNZJHKXYLKO-GFCCVEGCSA-N 0 3 309.370 0.946 20 5 DCBDHN CN(C)[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000572971880 397117815 /nfs/dbraw/zinc/11/78/15/397117815.db2.gz LOXKXZWCWLLZDM-KBPBESRZSA-N 0 3 322.365 0.530 20 5 DCBDHN Nc1nc(N)nc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000599084273 397332363 /nfs/dbraw/zinc/33/23/63/397332363.db2.gz QWMBJSLGTIXRRF-JTQLQIEISA-N 0 3 315.337 0.989 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCC(N3CCOCC3)CC2)c1 ZINC000599472938 397451283 /nfs/dbraw/zinc/45/12/83/397451283.db2.gz RYFCGDRRKUVLSZ-UHFFFAOYSA-N 0 3 309.370 0.588 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000593989078 397489523 /nfs/dbraw/zinc/48/95/23/397489523.db2.gz HMDGVJGJYQXSHQ-KBPBESRZSA-N 0 3 323.349 0.488 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000602810621 397492218 /nfs/dbraw/zinc/49/22/18/397492218.db2.gz HFUREBDPJGOBEY-VXGBXAGGSA-N 0 3 311.386 0.487 20 5 DCBDHN NC(=O)c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000321654737 159010579 /nfs/dbraw/zinc/01/05/79/159010579.db2.gz QDNRZFJAOSIGFM-NEPJUHHUSA-N 0 3 320.349 0.969 20 5 DCBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330524283 159185906 /nfs/dbraw/zinc/18/59/06/159185906.db2.gz JUNBCZNWISJXFP-GFCCVEGCSA-N 0 3 322.365 0.557 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(CCO)CCCO ZINC000273391657 415324385 /nfs/dbraw/zinc/32/43/85/415324385.db2.gz VAOHLCDNMIYIAB-GFCCVEGCSA-N 0 3 314.338 0.011 20 5 DCBDHN CN(CCOCCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337468902 415966208 /nfs/dbraw/zinc/96/62/08/415966208.db2.gz VCAZNZLTAQPGOX-UHFFFAOYSA-N 0 3 311.338 0.864 20 5 DCBDHN Nc1nc(NC2CCN([C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000301741737 416090157 /nfs/dbraw/zinc/09/01/57/416090157.db2.gz YGLMAHUXLCHFMQ-JTQLQIEISA-N 0 3 308.342 0.632 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2CN2CCOCC2)c1 ZINC000174877990 416090448 /nfs/dbraw/zinc/09/04/48/416090448.db2.gz OFKARHOTDRJHHN-CYBMUJFWSA-N 0 3 309.370 0.588 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2CN2CCOCC2)n1 ZINC000176270007 416123480 /nfs/dbraw/zinc/12/34/80/416123480.db2.gz XWSNJSPEBPCWPG-CYBMUJFWSA-N 0 3 309.370 0.588 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000358084472 416188526 /nfs/dbraw/zinc/18/85/26/416188526.db2.gz WNXPLXUGHXVXNI-OAHLLOKOSA-N 0 3 318.333 0.873 20 5 DCBDHN CN(C)CCOc1cnccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000341035409 416201373 /nfs/dbraw/zinc/20/13/73/416201373.db2.gz JSDNELYHBATVGA-UHFFFAOYSA-N 0 3 318.337 1.332 20 5 DCBDHN COCCN(C)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192496086 416306556 /nfs/dbraw/zinc/30/65/56/416306556.db2.gz ACIOQVBNQKPLPP-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000415450705 416344017 /nfs/dbraw/zinc/34/40/17/416344017.db2.gz MWNYOCUOEDZFEG-ZDUSSCGKSA-N 0 3 320.349 0.949 20 5 DCBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CN2CCN1CCC2 ZINC000360833866 416413488 /nfs/dbraw/zinc/41/34/88/416413488.db2.gz YSZJQJIIVZXXEM-OAHLLOKOSA-N 0 3 318.377 0.643 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000584183246 416507314 /nfs/dbraw/zinc/50/73/14/416507314.db2.gz AKSGSRJKQVHFHF-BXKDBHETSA-N 0 3 322.296 0.118 20 5 DCBDHN CCN1CCN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000596075051 416576505 /nfs/dbraw/zinc/57/65/05/416576505.db2.gz XXCUAFIDWWHWMW-UHFFFAOYSA-N 0 3 319.369 0.687 20 5 DCBDHN NC[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000423896599 416584594 /nfs/dbraw/zinc/58/45/94/416584594.db2.gz GRUNMQFMZJAYRM-ZDUSSCGKSA-N 0 3 321.312 0.789 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425505741 416711389 /nfs/dbraw/zinc/71/13/89/416711389.db2.gz ZBZLVWBSNJJTTC-DGCLKSJQSA-N 0 3 321.341 0.081 20 5 DCBDHN N[C@H]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000568902236 417193929 /nfs/dbraw/zinc/19/39/29/417193929.db2.gz ZSDAAKROGVQBPI-AAEUAGOBSA-N 0 3 308.313 0.478 20 5 DCBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000570201924 417323571 /nfs/dbraw/zinc/32/35/71/417323571.db2.gz NMAIOLABFIVNSE-ZYHUDNBSSA-N 0 3 311.338 0.401 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCNc1ccncc1 ZINC000354442292 261220179 /nfs/dbraw/zinc/22/01/79/261220179.db2.gz IUKGSQBVJWKPAA-UHFFFAOYSA-N 0 3 318.337 0.535 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412252880 262184266 /nfs/dbraw/zinc/18/42/66/262184266.db2.gz QWQFGHVARHGWIS-SQWLQELKSA-N 0 3 319.361 0.881 20 5 DCBDHN N[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000417909054 262264869 /nfs/dbraw/zinc/26/48/69/262264869.db2.gz JKSATWMMWXAIBJ-ZDUSSCGKSA-N 0 3 318.337 0.791 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000419121206 262310488 /nfs/dbraw/zinc/31/04/88/262310488.db2.gz ASLBYRQBOWFWIX-GHMZBOCLSA-N 0 3 320.349 0.722 20 5 DCBDHN NC(=O)c1ccc(CN[C@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000359866611 271148812 /nfs/dbraw/zinc/14/88/12/271148812.db2.gz BCHIZLPWWQZQCH-CYBMUJFWSA-N 0 3 323.349 0.571 20 5 DCBDHN O=C1OCCN1C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000495910886 272281881 /nfs/dbraw/zinc/28/18/81/272281881.db2.gz BZZBRJLLRJRUKM-LLVKDONJSA-N 0 3 309.326 0.565 20 5 DCBDHN Cn1cc2c(n1)CCC[C@@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515376340 287654171 /nfs/dbraw/zinc/65/41/71/287654171.db2.gz JITRVCRTLIRXKT-YPMHNXCESA-N 0 3 320.353 0.553 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3CN(C)C[C@@H]3C2)n1 ZINC000343054016 277437732 /nfs/dbraw/zinc/43/77/32/277437732.db2.gz NTJYGOYZDLJNEW-NXEZZACHSA-N 0 3 306.322 0.774 20 5 DCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000570464701 332759878 /nfs/dbraw/zinc/75/98/78/332759878.db2.gz TYOPFNGINVMEDN-QWRGUYRKSA-N 0 3 318.333 0.287 20 5 DCBDHN COc1ccc(OCCN(CCO)CCO)c([N+](=O)[O-])c1 ZINC000266531380 524954704 /nfs/dbraw/zinc/95/47/04/524954704.db2.gz MACRTDCPVDELCM-UHFFFAOYSA-N 0 3 300.311 0.269 20 5 DCBDHN C[NH+](C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736760619 598601777 /nfs/dbraw/zinc/60/17/77/598601777.db2.gz BFUGQYMQAMQDJZ-JTQLQIEISA-N 0 3 303.326 0.915 20 5 DCBDHN C[NH+](C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736760619 598601779 /nfs/dbraw/zinc/60/17/79/598601779.db2.gz BFUGQYMQAMQDJZ-JTQLQIEISA-N 0 3 303.326 0.915 20 5 DCBDHN C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821624009 599399258 /nfs/dbraw/zinc/39/92/58/599399258.db2.gz XJLZZSCDKHNJLC-UHFFFAOYSA-N 0 3 304.314 0.676 20 5 DCBDHN C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821624009 599399259 /nfs/dbraw/zinc/39/92/59/599399259.db2.gz XJLZZSCDKHNJLC-UHFFFAOYSA-N 0 3 304.314 0.676 20 5 DCBDHN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104047 658716240 /nfs/dbraw/zinc/71/62/40/658716240.db2.gz JCNGNYNIBUMLRU-ZETCQYMHSA-N 0 3 320.323 0.660 20 5 DCBDHN Cc1ccnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983650547 661996921 /nfs/dbraw/zinc/99/69/21/661996921.db2.gz VZVPCNSGHNHCSZ-FDYHWXHSSA-N 0 3 319.365 0.435 20 5 DCBDHN O=C(N[C@H]1C[C@H](CNCc2nncs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983656589 662001989 /nfs/dbraw/zinc/00/19/89/662001989.db2.gz FPDNDBNYMSOKGO-ZYUZMQFOSA-N 0 3 311.367 0.188 20 5 DCBDHN O=C(c1ccccc1)N1C[C@H](CNCC[N+](=O)[O-])N2CC[C@H]1C2 ZINC000905189255 663537252 /nfs/dbraw/zinc/53/72/52/663537252.db2.gz GZHGMVYPDYANFT-GJZGRUSLSA-N 0 3 318.377 0.452 20 5 DCBDHN O=C1COC[C@@]2(CNCc3ccc([N+](=O)[O-])cc3)COCCN12 ZINC000865800563 667348954 /nfs/dbraw/zinc/34/89/54/667348954.db2.gz KGTLGLNFRPIRBS-OAHLLOKOSA-N 0 3 321.333 0.312 20 5 DCBDHN Cc1cc(F)cc(C(=O)NC[C@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000762715005 668372920 /nfs/dbraw/zinc/37/29/20/668372920.db2.gz DUYILVSWBMXBLE-CQSZACIVSA-N 0 3 311.313 0.839 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000762721272 668374319 /nfs/dbraw/zinc/37/43/19/668374319.db2.gz KAZDZNRXAFHICF-ZDUSSCGKSA-N 0 3 324.293 0.299 20 5 DCBDHN NC(=O)C1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000784191337 669192804 /nfs/dbraw/zinc/19/28/04/669192804.db2.gz YUODIRYGGNVNGO-LLVKDONJSA-N 0 3 323.349 0.722 20 5 DCBDHN COC(=O)[C@H]1[C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794971375 669869346 /nfs/dbraw/zinc/86/93/46/669869346.db2.gz IKAAEFSAVMDIJN-RFQIPJPRSA-N 0 3 306.318 0.979 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000716729898 670272096 /nfs/dbraw/zinc/27/20/96/670272096.db2.gz JOOWBAZUGYIWMJ-SECBINFHSA-N 0 3 301.730 0.901 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000808217354 670399837 /nfs/dbraw/zinc/39/98/37/670399837.db2.gz BEVHPMNIKKZBMW-SNVBAGLBSA-N 0 3 308.338 0.364 20 5 DCBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H](CO)CN(C)C)c1F ZINC000854465672 670572227 /nfs/dbraw/zinc/57/22/27/670572227.db2.gz SSJFKIQWEGYPSY-MRVPVSSYSA-N 0 3 317.292 0.834 20 5 DCBDHN CC(COC(=O)CCN1C(=O)c2ccccc2C1=O)[N+](=O)[O-] ZINC000813104213 670610652 /nfs/dbraw/zinc/61/06/52/670610652.db2.gz YCFPSTQJPQHUAX-VIFPVBQESA-N 0 3 306.274 0.881 20 5 DCBDHN N[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@H]1F ZINC000851648284 671004070 /nfs/dbraw/zinc/00/40/70/671004070.db2.gz ABLNGFMRIPRFMM-VXGBXAGGSA-N 0 3 321.312 0.842 20 5 DCBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCOC2(CNC2)C1 ZINC001579537411 1165341320 /nfs/dbraw/zinc/34/13/20/1165341320.db2.gz QVMPDQGUCXTASN-UHFFFAOYSA-N 0 3 309.297 0.857 20 5 DCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)n1 ZINC001586991736 1166501867 /nfs/dbraw/zinc/50/18/67/1166501867.db2.gz CHCVKLJNNJDLBF-NSHDSACASA-N 0 3 322.365 0.873 20 5 DCBDHN C[C@H](CO)[C@H](C)[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589887243 1166707916 /nfs/dbraw/zinc/70/79/16/1166707916.db2.gz PWOSHGDUUMZIQR-BDAKNGLRSA-N 0 3 306.326 0.881 20 5 DCBDHN C[C@H](CO)[C@H](C)[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589887243 1166707920 /nfs/dbraw/zinc/70/79/20/1166707920.db2.gz PWOSHGDUUMZIQR-BDAKNGLRSA-N 0 3 306.326 0.881 20 5 DCBDHN CCC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001590569432 1166947564 /nfs/dbraw/zinc/94/75/64/1166947564.db2.gz RKBJJVXBJAIKCK-SNVBAGLBSA-N 0 3 318.341 0.748 20 5 DCBDHN CCC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001590569432 1166947567 /nfs/dbraw/zinc/94/75/67/1166947567.db2.gz RKBJJVXBJAIKCK-SNVBAGLBSA-N 0 3 318.341 0.748 20 5 DCBDHN C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609114715 1170814821 /nfs/dbraw/zinc/81/48/21/1170814821.db2.gz SUIQKMQHBLLZQZ-DTWKUNHWSA-N 0 3 306.326 0.881 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001639364642 1171833556 /nfs/dbraw/zinc/83/35/56/1171833556.db2.gz DKAMAYWZSIRCGY-VIFPVBQESA-N 0 3 306.322 0.380 20 5 DCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001640128890 1171866944 /nfs/dbraw/zinc/86/69/44/1171866944.db2.gz YDCRZRDPQGPVCQ-MNOVXSKESA-N 0 3 323.353 0.298 20 5 DCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001640128890 1171866951 /nfs/dbraw/zinc/86/69/51/1171866951.db2.gz YDCRZRDPQGPVCQ-MNOVXSKESA-N 0 3 323.353 0.298 20 5 DCBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC001642432445 1171945247 /nfs/dbraw/zinc/94/52/47/1171945247.db2.gz UCWCPENDTSRYEP-VIFPVBQESA-N 0 3 311.342 0.201 20 5 DCBDHN COC[C@]1(CO)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001643116883 1171967080 /nfs/dbraw/zinc/96/70/80/1171967080.db2.gz DNJTYWKWPPLDMC-LSDHHAIUSA-N 0 3 310.350 0.959 20 5 DCBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])s1)CCOCCO ZINC001643499756 1171978846 /nfs/dbraw/zinc/97/88/46/1171978846.db2.gz CAFMJTVOXCSXRK-UHFFFAOYSA-N 0 3 317.367 0.327 20 5 DCBDHN CN(C)CCNc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001161668800 748820758 /nfs/dbraw/zinc/82/07/58/748820758.db2.gz PPWJDEUQFPVDDR-UHFFFAOYSA-N 0 3 305.132 0.964 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@@H]1CCN1C1CCOCC1 ZINC001123249067 767954057 /nfs/dbraw/zinc/95/40/57/767954057.db2.gz XAJVJRLKMNBEFM-LBPRGKRZSA-N 0 3 324.337 0.588 20 5 DCBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001169013448 760543922 /nfs/dbraw/zinc/54/39/22/760543922.db2.gz VHHBWXQVFVMWBJ-VLEAKVRGSA-N 0 3 312.288 0.792 20 5 DCBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001122182446 767734562 /nfs/dbraw/zinc/73/45/62/767734562.db2.gz VJHHAEOVCVCCEN-OUAUKWLOSA-N 0 3 308.338 0.354 20 5 DCBDHN COc1cc(C)nc([N-][C@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155571367 770548612 /nfs/dbraw/zinc/54/86/12/770548612.db2.gz SEIDYHUAMMUDOH-NOZJJQNGSA-N 0 3 307.310 0.297 20 5 DCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)n1 ZINC001179009107 770928419 /nfs/dbraw/zinc/92/84/19/770928419.db2.gz YOLOCZACYOZICT-SNVBAGLBSA-N 0 3 306.322 0.501 20 5 DCBDHN C[C@H](Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159501758 771920376 /nfs/dbraw/zinc/92/03/76/771920376.db2.gz XJGSWHFIGZYDNY-CBAPKCEASA-N 0 3 302.718 0.670 20 5 DCBDHN CN(C)CCONC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001161773852 772281313 /nfs/dbraw/zinc/28/13/13/772281313.db2.gz MFVCJVMYLOWSNI-UHFFFAOYSA-N 0 3 320.309 0.399 20 5 DCBDHN CN(c1ccc2ncccc2c1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164297509 772640535 /nfs/dbraw/zinc/64/05/35/772640535.db2.gz WGMDCUWDZHLVBS-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN CCOC(=O)CNC(=O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581142 946412672 /nfs/dbraw/zinc/41/26/72/946412672.db2.gz IVMNLOHZQFNXPN-LBPRGKRZSA-N 0 3 321.333 0.331 20 5 DCBDHN C[C@H](NC(=O)[C@H](C)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254588340 946413321 /nfs/dbraw/zinc/41/33/21/946413321.db2.gz DLTVIOAUDZPTMQ-AUTRQRHGSA-N 0 3 320.349 0.030 20 5 DCBDHN CN(CCCN1CCN(C)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001323234811 946989501 /nfs/dbraw/zinc/98/95/01/946989501.db2.gz RZMDFBKJXMQKDK-UHFFFAOYSA-N 0 3 324.385 0.038 20 5 DCBDHN COCCN1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001324658171 947494605 /nfs/dbraw/zinc/49/46/05/947494605.db2.gz HDMXCIFKFDDNNK-UHFFFAOYSA-N 0 3 311.342 0.169 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CNC(=O)O2)CC1 ZINC001308127256 960167755 /nfs/dbraw/zinc/16/77/55/960167755.db2.gz VSJZMVHJXMLWGQ-UHFFFAOYSA-N 0 3 309.326 0.674 20 5 DCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H](CO)[C@H](CCO)C2)c1 ZINC001473892990 1016987115 /nfs/dbraw/zinc/98/71/15/1016987115.db2.gz MSVTYSVNFNKHDC-VNHYZAJKSA-N 0 3 310.350 0.551 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001435967793 1006093162 /nfs/dbraw/zinc/09/31/62/1006093162.db2.gz LXCCKYNZXPXVNT-CYBMUJFWSA-N 0 3 314.430 0.964 20 5 DCBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN(C)CCO ZINC001455783451 1009967698 /nfs/dbraw/zinc/96/76/98/1009967698.db2.gz UJGFHSGQLDNMKG-UHFFFAOYSA-N 0 3 311.338 0.647 20 5 DCBDHN COC(=O)c1cnc(NC[C@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC001458563164 1012218342 /nfs/dbraw/zinc/21/83/42/1012218342.db2.gz JQUVADJNOFZUFN-VIFPVBQESA-N 0 3 312.351 0.893 20 5 DCBDHN CN(CCO)CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001557695457 1012288268 /nfs/dbraw/zinc/28/82/68/1012288268.db2.gz UFMJNDSSJSFKMG-UHFFFAOYSA-N 0 3 314.317 0.312 20 5 DCBDHN O=[N+]([O-])c1cnn(CCNCc2cnc(N3CCCC3)nc2)c1 ZINC001461312873 1013017577 /nfs/dbraw/zinc/01/75/77/1013017577.db2.gz IWEFGIRESBTTMM-UHFFFAOYSA-N 0 3 317.353 0.971 20 5 DCBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1nc[nH]n1 ZINC001497468829 1018155057 /nfs/dbraw/zinc/15/50/57/1018155057.db2.gz SIYHJZRVHISILO-UHFFFAOYSA-N 0 3 318.337 0.965 20 5 DCBDHN CC(=O)NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159779818 291236538 /nfs/dbraw/zinc/23/65/38/291236538.db2.gz AJMNZEWNAXKGDK-CYBMUJFWSA-N 0 3 322.365 0.605 20 5 DCBDHN NC(C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC000566248967 291288244 /nfs/dbraw/zinc/28/82/44/291288244.db2.gz JHJUAXZAMLASCZ-VIFPVBQESA-N 0 3 304.228 0.764 20 5 DCBDHN N[C@@H]1C[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CCN2C1=O ZINC000566630126 291316133 /nfs/dbraw/zinc/31/61/33/291316133.db2.gz OOJIAYFSHLMCLA-GXSJLCMTSA-N 0 3 317.349 0.311 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cnn3ccccc23)c1 ZINC000570039354 291508745 /nfs/dbraw/zinc/50/87/45/291508745.db2.gz SAZIJDHTXWRDOQ-CYBMUJFWSA-N 0 3 316.321 0.590 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCN3CCOCC3)C2)nc1 ZINC000340694068 253292372 /nfs/dbraw/zinc/29/23/72/253292372.db2.gz AGEUUBOTLOTSLK-ZDUSSCGKSA-N 0 3 321.381 0.808 20 5 DCBDHN CC(=O)NCC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000341596487 253399281 /nfs/dbraw/zinc/39/92/81/253399281.db2.gz FVOJLGIGOMBFOH-UHFFFAOYSA-N 0 3 322.365 0.605 20 5 DCBDHN C[C@H](CN(C)C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346222616 254024611 /nfs/dbraw/zinc/02/46/11/254024611.db2.gz LYWGLFPVBTUANX-GHMZBOCLSA-N 0 3 322.365 0.779 20 5 DCBDHN COC(=O)c1cc(NC(=O)CCOC2CNC2)cc([N+](=O)[O-])c1 ZINC000348997380 254268781 /nfs/dbraw/zinc/26/87/81/254268781.db2.gz YNZGCBLULWWXSM-UHFFFAOYSA-N 0 3 323.305 0.698 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CCO)c2ccccc2)c1 ZINC000271813120 285189943 /nfs/dbraw/zinc/18/99/43/285189943.db2.gz UPQCHBFZXDQLSB-LSDHHAIUSA-N 0 3 320.349 0.866 20 5 DCBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000111665628 395811131 /nfs/dbraw/zinc/81/11/31/395811131.db2.gz XVOWEFANSLZOAR-UHFFFAOYSA-N 0 3 306.366 0.914 20 5 DCBDHN CCCCCN(CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272480761 395894329 /nfs/dbraw/zinc/89/43/29/395894329.db2.gz BAPAUEZUQBPCRY-GFCCVEGCSA-N 0 3 313.358 0.130 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCNC1CC1 ZINC000054267173 395896808 /nfs/dbraw/zinc/89/68/08/395896808.db2.gz BFWBEJFYDLIYEY-UHFFFAOYSA-N 0 3 315.351 0.634 20 5 DCBDHN COCCNCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237165749 395905611 /nfs/dbraw/zinc/90/56/11/395905611.db2.gz PZAKEBCTZXPAQW-LLVKDONJSA-N 0 3 323.353 0.239 20 5 DCBDHN CCN1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000132370724 395926773 /nfs/dbraw/zinc/92/67/73/395926773.db2.gz VQCMFNHWGLIVJB-NSHDSACASA-N 0 3 308.338 0.357 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnn(CCN(C)C)c1 ZINC000061634827 395969892 /nfs/dbraw/zinc/96/98/92/395969892.db2.gz KYMGFEONMTZYLU-UHFFFAOYSA-N 0 3 321.341 0.497 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@@H](O)[C@H](O)C3)o2)c1 ZINC000278543576 396130234 /nfs/dbraw/zinc/13/02/34/396130234.db2.gz AKRARCMHEITYBU-CHWSQXEVSA-N 0 3 319.317 0.830 20 5 DCBDHN C[C@@H]1CCSCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279322883 396166168 /nfs/dbraw/zinc/16/61/68/396166168.db2.gz SMEUYUPFPFISEH-ZYHUDNBSSA-N 0 3 300.384 0.980 20 5 DCBDHN COc1ccc(CNC(=O)C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000269244044 396398955 /nfs/dbraw/zinc/39/89/55/396398955.db2.gz JQOVVMTVIMXFGZ-LLVKDONJSA-N 0 3 309.322 0.598 20 5 DCBDHN CN(C)CCn1nccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000293941523 396643555 /nfs/dbraw/zinc/64/35/55/396643555.db2.gz CSIRHQPPNKRIJK-UHFFFAOYSA-N 0 3 321.341 0.578 20 5 DCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588862532 396695640 /nfs/dbraw/zinc/69/56/40/396695640.db2.gz DGFCYAILJCNCAJ-HUUCEWRRSA-N 0 3 319.361 0.805 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000588863785 396696639 /nfs/dbraw/zinc/69/66/39/396696639.db2.gz OLPVMXYGYWRWFN-VIFPVBQESA-N 0 3 306.322 0.728 20 5 DCBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)CN(C)C ZINC000590548416 396792648 /nfs/dbraw/zinc/79/26/48/396792648.db2.gz CYQVRIQCQPHKAJ-JTQLQIEISA-N 0 3 311.338 0.646 20 5 DCBDHN NC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000316326239 396794072 /nfs/dbraw/zinc/79/40/72/396794072.db2.gz FCJKGMZOWOXGNN-UHFFFAOYSA-N 0 3 305.338 0.520 20 5 DCBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCN1CCC2 ZINC000611201374 396834146 /nfs/dbraw/zinc/83/41/46/396834146.db2.gz NEVMWVQBUHHXEX-AWEZNQCLSA-N 0 3 304.350 0.601 20 5 DCBDHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000571538138 396962845 /nfs/dbraw/zinc/96/28/45/396962845.db2.gz PKPVUULAJREDGL-JTQLQIEISA-N 0 3 319.745 0.349 20 5 DCBDHN O=C1CCC[C@@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)N1 ZINC000591763755 396998505 /nfs/dbraw/zinc/99/85/05/396998505.db2.gz HMCSXRUTYHHXHQ-AAEUAGOBSA-N 0 3 323.349 0.593 20 5 DCBDHN COc1ccc(CC(=O)N[C@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000597654515 397046560 /nfs/dbraw/zinc/04/65/60/397046560.db2.gz SFLDSXWFCTZACH-NSHDSACASA-N 0 3 311.338 0.185 20 5 DCBDHN N[C@H]1C[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000573141175 397140291 /nfs/dbraw/zinc/14/02/91/397140291.db2.gz UXEKBWWKKLEVCX-RYUDHWBXSA-N 0 3 319.321 0.371 20 5 DCBDHN CN(C)[C@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000573282346 397152709 /nfs/dbraw/zinc/15/27/09/397152709.db2.gz BQRLNMOQPLBMGJ-CHWSQXEVSA-N 0 3 323.353 0.638 20 5 DCBDHN COC(=O)[C@H]1CNCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000592489756 397190431 /nfs/dbraw/zinc/19/04/31/397190431.db2.gz VACIRWJGVLJXFV-CYBMUJFWSA-N 0 3 323.349 0.811 20 5 DCBDHN COC(=O)[C@H]1CNCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000592489789 397190617 /nfs/dbraw/zinc/19/06/17/397190617.db2.gz VXBAJAYQBARVHL-CQSZACIVSA-N 0 3 307.350 0.974 20 5 DCBDHN CCOc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000578642196 397464485 /nfs/dbraw/zinc/46/44/85/397464485.db2.gz WJNHSUZEUGHZDG-STQMWFEESA-N 0 3 323.349 0.740 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000594359146 397533515 /nfs/dbraw/zinc/53/35/15/397533515.db2.gz PBBGHPFUIXMGAS-KBPBESRZSA-N 0 3 318.333 0.823 20 5 DCBDHN C[C@@H]1COCCN1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000579850245 397595588 /nfs/dbraw/zinc/59/55/88/397595588.db2.gz RPWNWRHKNVOVBE-CYBMUJFWSA-N 0 3 323.397 0.976 20 5 DCBDHN NC(=O)C[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000367308141 159330003 /nfs/dbraw/zinc/33/00/03/159330003.db2.gz NIGKXEAYXUPCPF-YPMHNXCESA-N 0 3 323.349 0.532 20 5 DCBDHN O=C1[C@H](N2C[C@H]3[C@H](CO)[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368333704 159388246 /nfs/dbraw/zinc/38/82/46/159388246.db2.gz URGGPPFAKNAEKD-CBBWQLFWSA-N 0 3 317.345 0.870 20 5 DCBDHN C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N(C)C1CC1 ZINC000151306980 287033031 /nfs/dbraw/zinc/03/30/31/287033031.db2.gz TUSHALAEFWIXPS-JTQLQIEISA-N 0 3 310.358 0.573 20 5 DCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C ZINC000354173863 287167069 /nfs/dbraw/zinc/16/70/69/287167069.db2.gz NAXDIZKOSIELAT-UHFFFAOYSA-N 0 3 308.338 0.774 20 5 DCBDHN COCCNCCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418511832 287249235 /nfs/dbraw/zinc/24/92/35/287249235.db2.gz RZTVHTNIPUTAPY-UHFFFAOYSA-N 0 3 310.354 0.972 20 5 DCBDHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164721 415274412 /nfs/dbraw/zinc/27/44/12/415274412.db2.gz WPCJYGVEHOGCHY-NFAWXSAZSA-N 0 3 323.397 0.711 20 5 DCBDHN CN(C)Cc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000342923217 415360142 /nfs/dbraw/zinc/36/01/42/415360142.db2.gz FJPOSPPXQJCFFH-UHFFFAOYSA-N 0 3 318.337 0.564 20 5 DCBDHN COC[C@@H](CO)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353620122 415606358 /nfs/dbraw/zinc/60/63/58/415606358.db2.gz ICRPHRFZCGCITJ-ZYHUDNBSSA-N 0 3 311.338 0.909 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000120752300 415781911 /nfs/dbraw/zinc/78/19/11/415781911.db2.gz QFTLVHCJHFJSPI-JQWIXIFHSA-N 0 3 309.370 0.898 20 5 DCBDHN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN(C2CC2)C1 ZINC000295423982 415891692 /nfs/dbraw/zinc/89/16/92/415891692.db2.gz UDZKGHBGBCELBI-NSHDSACASA-N 0 3 307.354 0.734 20 5 DCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000356727041 415977964 /nfs/dbraw/zinc/97/79/64/415977964.db2.gz BXPJPMWQVSZKMX-GHMZBOCLSA-N 0 3 307.354 0.885 20 5 DCBDHN COc1ccc(C(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000153392906 415980448 /nfs/dbraw/zinc/98/04/48/415980448.db2.gz WNAGGVCRRHTYDS-CQSZACIVSA-N 0 3 311.338 0.646 20 5 DCBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](O)C1 ZINC000337977648 416029677 /nfs/dbraw/zinc/02/96/77/416029677.db2.gz IKIJBNYVDUOJNZ-LLVKDONJSA-N 0 3 307.306 0.959 20 5 DCBDHN CCOC(=O)c1ccnc(NC[C@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000358360215 416229552 /nfs/dbraw/zinc/22/95/52/416229552.db2.gz VQYSAOJPHVPCNV-CQSZACIVSA-N 0 3 324.337 0.645 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000358706561 416271188 /nfs/dbraw/zinc/27/11/88/416271188.db2.gz NHKXQPAVLWSTGO-HNNXBMFYSA-N 0 3 322.365 0.503 20 5 DCBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331460695 416316460 /nfs/dbraw/zinc/31/64/60/416316460.db2.gz YWXFPHCGXVSAEG-WDEREUQCSA-N 0 3 308.342 0.272 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H](C)CN ZINC000415419476 416342227 /nfs/dbraw/zinc/34/22/27/416342227.db2.gz QHLIPFIVURSAFX-SECBINFHSA-N 0 3 308.338 0.956 20 5 DCBDHN C[C@H](N)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000194858805 416324840 /nfs/dbraw/zinc/32/48/40/416324840.db2.gz IPPKDYIRROGONH-ZETCQYMHSA-N 0 3 301.324 0.075 20 5 DCBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1N(C)C ZINC000360650148 416401290 /nfs/dbraw/zinc/40/12/90/416401290.db2.gz WYFZIDQHDHLRGF-VHSXEESVSA-N 0 3 313.383 0.446 20 5 DCBDHN Cc1c(CNC(=O)C(=O)N[C@@H](CN)C2CC2)cccc1[N+](=O)[O-] ZINC000419758217 416409134 /nfs/dbraw/zinc/40/91/34/416409134.db2.gz JLZLUFYGLSOVMD-LBPRGKRZSA-N 0 3 320.349 0.373 20 5 DCBDHN CN1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000533205303 416480865 /nfs/dbraw/zinc/48/08/65/416480865.db2.gz XPUZYZRFWCBPSS-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000423997243 416602907 /nfs/dbraw/zinc/60/29/07/416602907.db2.gz XYVFQTOARHPIBG-VIFPVBQESA-N 0 3 305.294 0.189 20 5 DCBDHN C[C@H]1C[C@@H](N2CCOCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000367578967 416647587 /nfs/dbraw/zinc/64/75/87/416647587.db2.gz XKYMFNTXRYSEDF-QWHCGFSZSA-N 0 3 309.370 0.586 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]C[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000447243989 416973574 /nfs/dbraw/zinc/97/35/74/416973574.db2.gz CDOJZYAEMLPYOZ-QMMMGPOBSA-N 0 3 303.340 0.477 20 5 DCBDHN CN(CCn1cc([N+](=O)[O-])cn1)CCN1CCOC(C)(C)C1 ZINC000434708180 287356350 /nfs/dbraw/zinc/35/63/50/287356350.db2.gz QWEOWCXPNCEUHJ-UHFFFAOYSA-N 0 3 311.386 0.834 20 5 DCBDHN CNc1nccc(C(=O)NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000574289434 417482254 /nfs/dbraw/zinc/48/22/54/417482254.db2.gz DGVHOKVODJGYAY-SNVBAGLBSA-N 0 3 307.354 1.103 20 5 DCBDHN CNc1nc(C(=O)N2CCN3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000455523381 417607566 /nfs/dbraw/zinc/60/75/66/417607566.db2.gz ZOZWWPZKLPWBHW-JTQLQIEISA-N 0 3 305.338 0.952 20 5 DCBDHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000299265317 229016008 /nfs/dbraw/zinc/01/60/08/229016008.db2.gz KMYXOEHIEAPWOL-JTQLQIEISA-N 0 3 308.338 0.908 20 5 DCBDHN COc1ccc(CNC(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000417192772 262247061 /nfs/dbraw/zinc/24/70/61/262247061.db2.gz KRYAABLQFAFCAO-NSHDSACASA-N 0 3 324.337 0.391 20 5 DCBDHN COCCNCCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418076152 262269242 /nfs/dbraw/zinc/26/92/42/262269242.db2.gz GAMUACLPAFDUGQ-UHFFFAOYSA-N 0 3 310.354 0.938 20 5 DCBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)CN)cc1[N+](=O)[O-] ZINC000419239515 262322524 /nfs/dbraw/zinc/32/25/24/262322524.db2.gz ALQWYCBMBPQSPE-UWVGGRQHSA-N 0 3 308.338 0.544 20 5 DCBDHN CO[C@@H]1COC[C@@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459785878 272008773 /nfs/dbraw/zinc/00/87/73/272008773.db2.gz ALWJVBKKLMKWJC-QWHCGFSZSA-N 0 3 309.322 0.927 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492557117 272135093 /nfs/dbraw/zinc/13/50/93/272135093.db2.gz BLGQTJSSNOHROD-QTLSWZBMSA-N 0 3 323.324 0.930 20 5 DCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000151604348 277075805 /nfs/dbraw/zinc/07/58/05/277075805.db2.gz QUBMIYIUVLVVDU-ZDUSSCGKSA-N 0 3 319.365 0.733 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H]2COCCO2)c1 ZINC000555575436 288357242 /nfs/dbraw/zinc/35/72/42/288357242.db2.gz JWOKNEDPMAPTNO-JSGCOSHPSA-N 0 3 312.322 0.340 20 5 DCBDHN N[C@@H]1Cc2ccccc2N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000564321131 288735910 /nfs/dbraw/zinc/73/59/10/288735910.db2.gz GCTCOBACUXLEOD-SNVBAGLBSA-N 0 3 302.294 0.103 20 5 DCBDHN CCOc1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000583704978 337092469 /nfs/dbraw/zinc/09/24/69/337092469.db2.gz XMBOXLMUPOVANM-VXGBXAGGSA-N 0 3 320.349 0.742 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CO)CC(F)F ZINC000575181016 341783900 /nfs/dbraw/zinc/78/39/00/341783900.db2.gz MAGUTVKYCYFWFY-NXEZZACHSA-N 0 3 320.292 0.940 20 5 DCBDHN CN1CCC(O)(CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000267135999 523779687 /nfs/dbraw/zinc/77/96/87/523779687.db2.gz PVUHEHXTAPZFDY-UHFFFAOYSA-N 0 3 323.349 0.547 20 5 DCBDHN C[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000736800641 598499453 /nfs/dbraw/zinc/49/94/53/598499453.db2.gz LARVUBJIYSPSKW-UHFFFAOYSA-N 0 3 304.314 0.676 20 5 DCBDHN C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000736800641 598499455 /nfs/dbraw/zinc/49/94/55/598499455.db2.gz LARVUBJIYSPSKW-UHFFFAOYSA-N 0 3 304.314 0.676 20 5 DCBDHN C[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000736800641 598499457 /nfs/dbraw/zinc/49/94/57/598499457.db2.gz LARVUBJIYSPSKW-UHFFFAOYSA-N 0 3 304.314 0.676 20 5 DCBDHN C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000736800641 598499459 /nfs/dbraw/zinc/49/94/59/598499459.db2.gz LARVUBJIYSPSKW-UHFFFAOYSA-N 0 3 304.314 0.676 20 5 DCBDHN CC(C)(C)OC(=O)N1CCO[C@](C)(CNCC[N+](=O)[O-])C1 ZINC000905584187 663567180 /nfs/dbraw/zinc/56/71/80/663567180.db2.gz HCAMTNXCBVLHLR-CYBMUJFWSA-N 0 3 303.359 0.879 20 5 DCBDHN Cc1oc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)N(C)C ZINC000813105359 658718156 /nfs/dbraw/zinc/71/81/56/658718156.db2.gz XWIMFBFHLQRPQY-ZETCQYMHSA-N 0 3 320.323 0.660 20 5 DCBDHN Cn1cc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001002782751 666220955 /nfs/dbraw/zinc/22/09/55/666220955.db2.gz PCVJMWUSKCEFFO-CHWSQXEVSA-N 0 3 307.354 0.166 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2cnsn2)CC1 ZINC000996429676 666790950 /nfs/dbraw/zinc/79/09/50/666790950.db2.gz SEXGSADKZQXSES-GHMZBOCLSA-N 0 3 311.367 0.284 20 5 DCBDHN Cc1nnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001034642903 667089126 /nfs/dbraw/zinc/08/91/26/667089126.db2.gz HMTZLSUYYWBOJF-DDHJBXDOSA-N 0 3 323.353 0.560 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)C1CC1 ZINC000771803240 668752379 /nfs/dbraw/zinc/75/23/79/668752379.db2.gz AVPMLXNQNSBFIS-LBPRGKRZSA-N 0 3 309.322 0.902 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782615830 669111822 /nfs/dbraw/zinc/11/18/22/669111822.db2.gz GXMFFORZOHIDIK-NJZAAPMLSA-N 0 3 308.334 0.649 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCN(CCCCCO)CC2)n1 ZINC000931497840 669213092 /nfs/dbraw/zinc/21/30/92/669213092.db2.gz QIVAADUGYMIKOJ-UHFFFAOYSA-N 0 3 311.386 0.572 20 5 DCBDHN CON(C)C(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000799139779 670043909 /nfs/dbraw/zinc/04/39/09/670043909.db2.gz WCRLOHCSOZZNCQ-NSHDSACASA-N 0 3 323.353 0.886 20 5 DCBDHN Cc1cc(NC(=O)CSCC(=O)OCC(C)[N+](=O)[O-])no1 ZINC000813103440 670610736 /nfs/dbraw/zinc/61/07/36/670610736.db2.gz ARKPVMHWXMQXMO-SSDOTTSWSA-N 0 3 317.323 0.863 20 5 DCBDHN CC(COC(=O)[C@H](C)Sc1nnnn1C1CC1)[N+](=O)[O-] ZINC000813102880 670610989 /nfs/dbraw/zinc/61/09/89/670610989.db2.gz KVRKGZMMXSMVBO-BQBZGAKWSA-N 0 3 301.328 0.697 20 5 DCBDHN CC(COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813115776 670612741 /nfs/dbraw/zinc/61/27/41/670612741.db2.gz ZKUXFBTZKSFBLS-QMMMGPOBSA-N 0 3 321.249 0.998 20 5 DCBDHN CNS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113138 670612885 /nfs/dbraw/zinc/61/28/85/670612885.db2.gz XOABGLDDEXAWHT-QMMMGPOBSA-N 0 3 302.308 0.417 20 5 DCBDHN CN1CCN(C)[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819048742 671089078 /nfs/dbraw/zinc/08/90/78/671089078.db2.gz ASZYIANIKOJNMZ-LSDHHAIUSA-N 0 3 308.382 0.464 20 5 DCBDHN O=C1OC[C@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000860156032 671184188 /nfs/dbraw/zinc/18/41/88/671184188.db2.gz CRNPGHPITOIBOD-SCDSUCTJSA-N 0 3 322.317 0.439 20 5 DCBDHN CN1CC[C@@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000836847678 671834576 /nfs/dbraw/zinc/83/45/76/671834576.db2.gz AFSOZXYOHIVKOM-KWCYVHTRSA-N 0 3 305.334 0.791 20 5 DCBDHN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nocc1C ZINC001566550745 1160054526 /nfs/dbraw/zinc/05/45/26/1160054526.db2.gz UDGFRAVBAUACMU-DGCLKSJQSA-N 0 3 310.354 0.976 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@H]1CSCC[NH2+]1 ZINC001593472352 1167863807 /nfs/dbraw/zinc/86/38/07/1167863807.db2.gz ZTKDNSDABJEESH-QMMMGPOBSA-N 0 3 322.354 0.287 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001597701984 1168011356 /nfs/dbraw/zinc/01/13/56/1168011356.db2.gz XSCGZLSNHAYNGJ-SNVBAGLBSA-N 0 3 321.333 0.806 20 5 DCBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001607082785 1170383316 /nfs/dbraw/zinc/38/33/16/1170383316.db2.gz SJMJSUVUEIIBBL-AOOOYVTPSA-N 0 3 301.310 0.431 20 5 DCBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001607082785 1170383323 /nfs/dbraw/zinc/38/33/23/1170383323.db2.gz SJMJSUVUEIIBBL-AOOOYVTPSA-N 0 3 301.310 0.431 20 5 DCBDHN CN1CC[C@@H]2CC[C@H](C1)N2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001612902749 1171364146 /nfs/dbraw/zinc/36/41/46/1171364146.db2.gz BTWXODDNHYSIKV-VHSXEESVSA-N 0 3 305.338 0.762 20 5 DCBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001637266345 1171761507 /nfs/dbraw/zinc/76/15/07/1171761507.db2.gz OFOARTAKMAVPMX-WDEREUQCSA-N 0 3 305.338 0.881 20 5 DCBDHN CCCc1n[nH]c(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001647773441 1173055251 /nfs/dbraw/zinc/05/52/51/1173055251.db2.gz UIEAXJLCZVZSRL-SECBINFHSA-N 0 3 323.353 0.473 20 5 DCBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001654229437 1173802048 /nfs/dbraw/zinc/80/20/48/1173802048.db2.gz MXJISZGIWDMXEJ-FBIMIBRVSA-N 0 3 306.322 0.174 20 5 DCBDHN NC(=O)C(=O)NC1(CNCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001714140857 1181259121 /nfs/dbraw/zinc/25/91/21/1181259121.db2.gz XRPHWVPSJPHCKD-UHFFFAOYSA-N 0 3 320.349 0.599 20 5 DCBDHN COc1ccnc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001754118798 1188748353 /nfs/dbraw/zinc/74/83/53/1188748353.db2.gz DSTDSGHPWHRUST-DTSKHDKYSA-N 0 3 320.349 0.517 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cncnc1 ZINC001126093622 748216605 /nfs/dbraw/zinc/21/66/05/748216605.db2.gz HMOHPAIXCPEJEX-UHFFFAOYSA-N 0 3 301.306 0.904 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cncnc1 ZINC001126093317 748217277 /nfs/dbraw/zinc/21/72/77/748217277.db2.gz BNPIAPOWZLERJZ-UHFFFAOYSA-N 0 3 301.306 0.904 20 5 DCBDHN O=C(NCCNCc1cc(O)ccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001126936853 750149575 /nfs/dbraw/zinc/14/95/75/750149575.db2.gz UWUPYUQHBFQEMG-ZYHUDNBSSA-N 0 3 313.741 0.917 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H](C)[C@H]1CNCCO1 ZINC001170572075 763875467 /nfs/dbraw/zinc/87/54/67/763875467.db2.gz GPKPGOUIEJUYBX-LDYMZIIASA-N 0 3 310.310 0.565 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC001135542448 765975535 /nfs/dbraw/zinc/97/55/35/765975535.db2.gz DKLXXLUPTHLXJS-UHFFFAOYSA-N 0 3 301.306 0.904 20 5 DCBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CCN(C)CCO ZINC001203068346 768547112 /nfs/dbraw/zinc/54/71/12/768547112.db2.gz ROQLMEJQPUMDOO-UHFFFAOYSA-N 0 3 311.342 0.108 20 5 DCBDHN COc1nc(N2C[C@H]3[C@H](C2)CCCN3C)nc(OC)c1[N+](=O)[O-] ZINC001157266827 771570832 /nfs/dbraw/zinc/57/08/32/771570832.db2.gz XUWFHFKABGSUJS-UWVGGRQHSA-N 0 3 323.353 0.932 20 5 DCBDHN COC(=O)c1cnc(N[C@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001159499667 771920153 /nfs/dbraw/zinc/92/01/53/771920153.db2.gz UORMEALZGIACEJ-LDYMZIIASA-N 0 3 310.310 0.565 20 5 DCBDHN Cc1nn[nH]c1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001163739615 772564422 /nfs/dbraw/zinc/56/44/22/772564422.db2.gz AXDYMFUQYMIILY-UHFFFAOYSA-N 0 3 318.337 0.931 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC(N[C@H]3CCOC3)C2)c1 ZINC001164234476 772629211 /nfs/dbraw/zinc/62/92/11/772629211.db2.gz PFOVJYAZPMUKQW-NSHDSACASA-N 0 3 321.333 0.949 20 5 DCBDHN COC(=O)c1ccnc(-n2cnc3c2CNCC3)c1[N+](=O)[O-] ZINC001164313479 772644865 /nfs/dbraw/zinc/64/48/65/772644865.db2.gz JMCUOUJTKQUNKF-UHFFFAOYSA-N 0 3 303.278 0.608 20 5 DCBDHN NC(=O)C1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001165595894 772748178 /nfs/dbraw/zinc/74/81/78/772748178.db2.gz FIFVFZOFKZHERZ-UHFFFAOYSA-N 0 3 320.349 0.456 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1(CF)CC1 ZINC001166354476 772804407 /nfs/dbraw/zinc/80/44/07/772804407.db2.gz BOXDPZLLWUAELA-UHFFFAOYSA-N 0 3 313.333 0.674 20 5 DCBDHN O=C(NCCN(Cc1cccnc1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267326155 939425486 /nfs/dbraw/zinc/42/54/86/939425486.db2.gz PYXPQWPRYAQBKM-ZIAGYGMSSA-N 0 3 304.350 0.827 20 5 DCBDHN COc1cccc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001483008089 941773301 /nfs/dbraw/zinc/77/33/01/941773301.db2.gz RYSYDXZOIZXLPG-LLGAQUFESA-N 0 3 320.349 0.517 20 5 DCBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@]23CN[C@@H](CO2)C3)n1 ZINC001247945817 945584426 /nfs/dbraw/zinc/58/44/26/945584426.db2.gz IPUPWTQQKAIQPH-JMCQJSRRSA-N 0 3 307.241 0.766 20 5 DCBDHN CN(CCCN1CCN(C)CC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001320435645 945875823 /nfs/dbraw/zinc/87/58/23/945875823.db2.gz XDNXJGZOTNJXSG-UHFFFAOYSA-N 0 3 324.385 0.038 20 5 DCBDHN CN(C)CCONC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001331186845 951001362 /nfs/dbraw/zinc/00/13/62/951001362.db2.gz KZJSPBONNBXCGX-UHFFFAOYSA-N 0 3 311.323 0.823 20 5 DCBDHN COc1ncccc1CN(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001316822969 960357045 /nfs/dbraw/zinc/35/70/45/960357045.db2.gz AGOBKKZCNNPAOV-CHWSQXEVSA-N 0 3 322.365 0.694 20 5 DCBDHN Nc1c(C(=O)N2CC(N[C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001472080639 1016721842 /nfs/dbraw/zinc/72/18/42/1016721842.db2.gz VAIFOXBDMDJUKL-SECBINFHSA-N 0 3 306.322 0.380 20 5 DCBDHN C[C@@](CO)(NCCCS(N)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC001560066178 1012438241 /nfs/dbraw/zinc/43/82/41/1012438241.db2.gz KYBADNJGDMXDEY-LBPRGKRZSA-N 0 3 317.367 0.071 20 5 DCBDHN O=C(NC1(CNCc2ccon2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001495158678 1018362469 /nfs/dbraw/zinc/36/24/69/1018362469.db2.gz OGGBVTJJYMQMBJ-VXGBXAGGSA-N 0 3 308.338 0.858 20 5 DCBDHN O=C(C1CC1)N(CCO)CCNCc1cccc([N+](=O)[O-])c1 ZINC001501429151 1019162923 /nfs/dbraw/zinc/16/29/23/1019162923.db2.gz DZTZYBSPHMJPNP-UHFFFAOYSA-N 0 3 307.350 0.915 20 5 DCBDHN CN1CC[C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272634814 210036873 /nfs/dbraw/zinc/03/68/73/210036873.db2.gz XKLOWKJSLCQPST-WCQYABFASA-N 0 3 322.369 0.527 20 5 DCBDHN CCN1CCN(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173712560 198243288 /nfs/dbraw/zinc/24/32/88/198243288.db2.gz JQVBQPUFDDDOEJ-UHFFFAOYSA-N 0 3 320.393 0.891 20 5 DCBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000163970811 291247106 /nfs/dbraw/zinc/24/71/06/291247106.db2.gz YHPJHSKUSWDCGN-JTQLQIEISA-N 0 3 311.342 0.501 20 5 DCBDHN N[C@H]1C[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496170 291308960 /nfs/dbraw/zinc/30/89/60/291308960.db2.gz PFBAHRYNBOLLFD-RYUDHWBXSA-N 0 3 320.349 0.217 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CCO)c2ccccc2)c1 ZINC000271813114 209238194 /nfs/dbraw/zinc/23/81/94/209238194.db2.gz UPQCHBFZXDQLSB-GJZGRUSLSA-N 0 3 320.349 0.866 20 5 DCBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000288509281 220188322 /nfs/dbraw/zinc/18/83/22/220188322.db2.gz SPRSBUPQIFHYCA-VXGBXAGGSA-N 0 3 307.354 0.877 20 5 DCBDHN C[C@@]1(C(N)=O)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000280874577 130822784 /nfs/dbraw/zinc/82/27/84/130822784.db2.gz ZTOGKQMDXZFWHR-XHDPSFHLSA-N 0 3 323.349 0.532 20 5 DCBDHN COc1ccc(NC(=O)CN2CCN[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000096525853 395754334 /nfs/dbraw/zinc/75/43/34/395754334.db2.gz NWWDGUAIVOAFMW-JTQLQIEISA-N 0 3 308.338 0.836 20 5 DCBDHN CN(C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118094014 395858832 /nfs/dbraw/zinc/85/88/32/395858832.db2.gz RWZYAKUVSYOLEQ-UHFFFAOYSA-N 0 3 314.729 0.865 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CC[NH2+]C1 ZINC000052093599 395859129 /nfs/dbraw/zinc/85/91/29/395859129.db2.gz ZSTNYEHAXNSKOK-QMMMGPOBSA-N 0 3 301.324 0.244 20 5 DCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)N(C)C ZINC000047639030 395798452 /nfs/dbraw/zinc/79/84/52/395798452.db2.gz LESJGLYLFCRBMX-QWRGUYRKSA-N 0 3 322.365 0.779 20 5 DCBDHN CCN(CCO)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000274625892 395963140 /nfs/dbraw/zinc/96/31/40/395963140.db2.gz HABOEKALZUXVSI-UHFFFAOYSA-N 0 3 324.381 0.751 20 5 DCBDHN CC(C)[C@H](N)C(=O)NCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000261634314 396051254 /nfs/dbraw/zinc/05/12/54/396051254.db2.gz DJQFLJOEXPSNTR-AWEZNQCLSA-N 0 3 322.365 0.353 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1NCCc2ccccc21 ZINC000262411107 396137527 /nfs/dbraw/zinc/13/75/27/396137527.db2.gz QNSVEKKUOYZMJT-ZDUSSCGKSA-N 0 3 315.333 0.795 20 5 DCBDHN COCCN(C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000263817272 396234124 /nfs/dbraw/zinc/23/41/24/396234124.db2.gz YPKSBOPSOVENRB-UHFFFAOYSA-N 0 3 321.337 0.779 20 5 DCBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000083418713 396313880 /nfs/dbraw/zinc/31/38/80/396313880.db2.gz OGBJYJMZIXXPIS-NSHDSACASA-N 0 3 300.384 0.980 20 5 DCBDHN CN1CCC(O)(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000267186022 396354598 /nfs/dbraw/zinc/35/45/98/396354598.db2.gz WHQJZAIRNIQOOV-UHFFFAOYSA-N 0 3 307.350 0.710 20 5 DCBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000288423973 396446985 /nfs/dbraw/zinc/44/69/85/396446985.db2.gz NXQUNSPWKOTDAL-VXGBXAGGSA-N 0 3 307.354 0.877 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290850016 396474083 /nfs/dbraw/zinc/47/40/83/396474083.db2.gz XGAVCUAJHIZCFB-KCJUWKMLSA-N 0 3 305.338 0.983 20 5 DCBDHN Cc1n[nH]c(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000293656252 396623699 /nfs/dbraw/zinc/62/36/99/396623699.db2.gz KXUCADDCOJRISA-NXEZZACHSA-N 0 3 311.342 0.153 20 5 DCBDHN Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000293656252 396623704 /nfs/dbraw/zinc/62/37/04/396623704.db2.gz KXUCADDCOJRISA-NXEZZACHSA-N 0 3 311.342 0.153 20 5 DCBDHN COCCN(C)C[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000562945909 396686879 /nfs/dbraw/zinc/68/68/79/396686879.db2.gz CYXBVMCZQABLHY-AWEZNQCLSA-N 0 3 311.382 0.966 20 5 DCBDHN NC(=O)[C@@H]1CCC[N@H+](CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596104254 396717793 /nfs/dbraw/zinc/71/77/93/396717793.db2.gz IQPCRDGQQGGCPJ-SNVBAGLBSA-N 0 3 323.353 0.695 20 5 DCBDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596104254 396717794 /nfs/dbraw/zinc/71/77/94/396717794.db2.gz IQPCRDGQQGGCPJ-SNVBAGLBSA-N 0 3 323.353 0.695 20 5 DCBDHN Cc1nc(N(CCN(C)C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000596462058 396781826 /nfs/dbraw/zinc/78/18/26/396781826.db2.gz JZQJMNCMOCBHFU-UHFFFAOYSA-N 0 3 309.370 0.754 20 5 DCBDHN CN(CCOC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610859706 396771974 /nfs/dbraw/zinc/77/19/74/396771974.db2.gz IZQCXPDTDKFLOX-GFCCVEGCSA-N 0 3 300.359 0.899 20 5 DCBDHN CN1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000571743777 396982818 /nfs/dbraw/zinc/98/28/18/396982818.db2.gz QFXRROIXFFKTBV-LBPRGKRZSA-N 0 3 311.317 0.841 20 5 DCBDHN CC[C@@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000591728399 396992871 /nfs/dbraw/zinc/99/28/71/396992871.db2.gz UGEIRRAOBJUOAW-LLVKDONJSA-N 0 3 317.367 0.234 20 5 DCBDHN CSc1cccc(C(=O)N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000597652678 397044867 /nfs/dbraw/zinc/04/48/67/397044867.db2.gz DRRPSIAVOQSWKU-SECBINFHSA-N 0 3 313.379 0.969 20 5 DCBDHN C[C@@H](C(=O)N[C@@H](CO)CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597653482 397044972 /nfs/dbraw/zinc/04/49/72/397044972.db2.gz JPBSDNCBOYGKCU-NXEZZACHSA-N 0 3 313.329 0.876 20 5 DCBDHN CC(C)[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1 ZINC000598573802 397250836 /nfs/dbraw/zinc/25/08/36/397250836.db2.gz OTUFYVBEIWSGCB-NSHDSACASA-N 0 3 308.338 0.213 20 5 DCBDHN C[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN1 ZINC000601981793 397280109 /nfs/dbraw/zinc/28/01/09/397280109.db2.gz YLYTUAICCGARGY-SNVBAGLBSA-N 0 3 308.342 0.020 20 5 DCBDHN CCc1nn(C)c(N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000599107312 397338824 /nfs/dbraw/zinc/33/88/24/397338824.db2.gz LDEHHNNDYZYJFJ-UHFFFAOYSA-N 0 3 322.413 0.574 20 5 DCBDHN O=[N+]([O-])c1ccc(CCNCCN2CCCS2(=O)=O)cc1 ZINC000405331203 397330956 /nfs/dbraw/zinc/33/09/56/397330956.db2.gz CATOZWKZWXWISM-UHFFFAOYSA-N 0 3 313.379 0.762 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000594359202 397533209 /nfs/dbraw/zinc/53/32/09/397533209.db2.gz ZPYCXTUSNIKQDV-RYUDHWBXSA-N 0 3 309.322 0.350 20 5 DCBDHN CCN(CCN)C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000599888192 397534835 /nfs/dbraw/zinc/53/48/35/397534835.db2.gz SCMRISLWRXJZND-UHFFFAOYSA-N 0 3 310.310 0.349 20 5 DCBDHN CCN(CCN)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000599888704 397535675 /nfs/dbraw/zinc/53/56/75/397535675.db2.gz XDXGITYSMNRZQC-UHFFFAOYSA-N 0 3 308.338 0.957 20 5 DCBDHN CCc1[nH]nc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936776 397544252 /nfs/dbraw/zinc/54/42/52/397544252.db2.gz BWJIKYCASUUSRR-UWVGGRQHSA-N 0 3 323.353 0.161 20 5 DCBDHN CCc1n[nH]c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936776 397544257 /nfs/dbraw/zinc/54/42/57/397544257.db2.gz BWJIKYCASUUSRR-UWVGGRQHSA-N 0 3 323.353 0.161 20 5 DCBDHN Cc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000579972670 397601897 /nfs/dbraw/zinc/60/18/97/397601897.db2.gz FTLDTMASHCWBCK-RYUDHWBXSA-N 0 3 318.333 0.287 20 5 DCBDHN CN1CCC[C@@H](N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000610453337 397823200 /nfs/dbraw/zinc/82/32/00/397823200.db2.gz NRBHQMHEHSTKSX-CQSZACIVSA-N 0 3 322.413 0.503 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000087384194 158092144 /nfs/dbraw/zinc/09/21/44/158092144.db2.gz MKDLNKNCIJOBBU-JTQLQIEISA-N 0 3 315.351 0.619 20 5 DCBDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000133205441 158317066 /nfs/dbraw/zinc/31/70/66/158317066.db2.gz HYNFCYCNHRKABS-SECBINFHSA-N 0 3 317.367 0.737 20 5 DCBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000368313373 159386634 /nfs/dbraw/zinc/38/66/34/159386634.db2.gz CDQABYDVQCGPIE-UWVGGRQHSA-N 0 3 317.342 0.882 20 5 DCBDHN CC[C@@]1(CO)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000249577637 287114724 /nfs/dbraw/zinc/11/47/24/287114724.db2.gz PYIFDUICIIXYCZ-ZIAGYGMSSA-N 0 3 312.370 0.637 20 5 DCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCc1cc[nH]c1 ZINC000086254497 415507810 /nfs/dbraw/zinc/50/78/10/415507810.db2.gz JRHLDQVOZBEQCK-UHFFFAOYSA-N 0 3 324.362 0.991 20 5 DCBDHN COc1ccc(CNCCCn2cc(CO)nn2)cc1[N+](=O)[O-] ZINC000289870218 415729443 /nfs/dbraw/zinc/72/94/43/415729443.db2.gz OYELIMKJUDFUSQ-UHFFFAOYSA-N 0 3 321.337 0.867 20 5 DCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000121182515 415797446 /nfs/dbraw/zinc/79/74/46/415797446.db2.gz FPJBDNORXHCRKP-AAEUAGOBSA-N 0 3 309.370 0.980 20 5 DCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290822607 415826135 /nfs/dbraw/zinc/82/61/35/415826135.db2.gz STUATXDBNKFUDL-MWLCHTKSSA-N 0 3 307.354 0.865 20 5 DCBDHN CCN1CCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000153037425 415975224 /nfs/dbraw/zinc/97/52/24/415975224.db2.gz UUBSYFPBWQZHHV-LLVKDONJSA-N 0 3 310.358 0.575 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000153168114 415976183 /nfs/dbraw/zinc/97/61/83/415976183.db2.gz OIOBHVDNZSTFLI-HNNXBMFYSA-N 0 3 324.381 0.826 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000298064425 415991054 /nfs/dbraw/zinc/99/10/54/415991054.db2.gz CMFLKEGAXIEOME-UHFFFAOYSA-N 0 3 317.367 0.833 20 5 DCBDHN CC1CCN(C[C@@H](O)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301181194 416076953 /nfs/dbraw/zinc/07/69/53/416076953.db2.gz PYIRJSKJDDTNFO-JTQLQIEISA-N 0 3 310.358 0.472 20 5 DCBDHN COC(=O)c1cnc(NC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000357687369 416116828 /nfs/dbraw/zinc/11/68/28/416116828.db2.gz VWEZQBKISXGPKT-ZDUSSCGKSA-N 0 3 310.310 0.255 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358052867 416178331 /nfs/dbraw/zinc/17/83/31/416178331.db2.gz GSLRMOTUANUTSE-AWEZNQCLSA-N 0 3 311.313 0.459 20 5 DCBDHN CC(C)c1n[nH]c(C(=O)NC[C@@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000358066875 416185596 /nfs/dbraw/zinc/18/55/96/416185596.db2.gz NIWMEHZTHAEBRP-ZDUSSCGKSA-N 0 3 311.342 0.238 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(O)(C(F)F)CC2)c1 ZINC000331137323 416271724 /nfs/dbraw/zinc/27/17/24/416271724.db2.gz JEDXAKBGXJNDDT-JTQLQIEISA-N 0 3 320.296 0.244 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000331467851 416317609 /nfs/dbraw/zinc/31/76/09/416317609.db2.gz HTOFUTBTIDQAJV-PRHODGIISA-N 0 3 305.338 0.785 20 5 DCBDHN COc1ccc(NC(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415445577 416343183 /nfs/dbraw/zinc/34/31/83/416343183.db2.gz SIVAULQDXLSJHE-SNVBAGLBSA-N 0 3 310.310 0.713 20 5 DCBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1[nH]ncc1[N+](=O)[O-] ZINC000423669000 416537029 /nfs/dbraw/zinc/53/70/29/416537029.db2.gz KVDVOLBEPMEUQD-NSHDSACASA-N 0 3 301.306 0.935 20 5 DCBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)Cn1ccnn1 ZINC000514951494 416685273 /nfs/dbraw/zinc/68/52/73/416685273.db2.gz LOUJCLWSGCAFRW-GXFFZTMASA-N 0 3 303.322 0.824 20 5 DCBDHN C[C@@H]1CCN(C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000426972401 416791422 /nfs/dbraw/zinc/79/14/22/416791422.db2.gz GBEDECAICUGJIV-LLVKDONJSA-N 0 3 310.358 0.527 20 5 DCBDHN CNc1nccc(C(=O)N2CCC[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000561224907 416858639 /nfs/dbraw/zinc/85/86/39/416858639.db2.gz IGODPFZKHTZSPS-SNVBAGLBSA-N 0 3 307.354 1.198 20 5 DCBDHN Nc1c(C(=O)N[C@@H]2CNCCC2(F)F)cccc1[N+](=O)[O-] ZINC000449661991 417160484 /nfs/dbraw/zinc/16/04/84/417160484.db2.gz KAZHMEOCEWVBPU-SECBINFHSA-N 0 3 300.265 0.904 20 5 DCBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415392853 417378428 /nfs/dbraw/zinc/37/84/28/417378428.db2.gz YOCJCLOFXKKBIV-SCZZXKLOSA-N 0 3 309.326 0.646 20 5 DCBDHN CNc1nccc(C(=O)NC[C@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000572132633 417455694 /nfs/dbraw/zinc/45/56/94/417455694.db2.gz KAUSBZFKIJYGDK-JTQLQIEISA-N 0 3 307.354 1.246 20 5 DCBDHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000453927482 417537965 /nfs/dbraw/zinc/53/79/65/417537965.db2.gz KRTXBICYZORRIN-MFKMUULPSA-N 0 3 318.333 0.696 20 5 DCBDHN N[C@@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000576122841 417581718 /nfs/dbraw/zinc/58/17/18/417581718.db2.gz QBAVWHDKHQXVHK-WCBMZHEXSA-N 0 3 311.729 0.391 20 5 DCBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356145676 261396533 /nfs/dbraw/zinc/39/65/33/261396533.db2.gz AJSNSOTWQXXUOL-NSHDSACASA-N 0 3 324.385 0.084 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000419152050 262313603 /nfs/dbraw/zinc/31/36/03/262313603.db2.gz NWIRIQZJIAHWPX-SKDRFNHKSA-N 0 3 320.349 0.626 20 5 DCBDHN NC[C@H]1CCCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419033437 271268849 /nfs/dbraw/zinc/26/88/49/271268849.db2.gz CEXVJVJOKNAWAQ-GFCCVEGCSA-N 0 3 320.349 0.203 20 5 DCBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N(C)CCN)cc1[N+](=O)[O-] ZINC000419264679 271279984 /nfs/dbraw/zinc/27/99/84/271279984.db2.gz DUXWRPLCOPYHRT-JTQLQIEISA-N 0 3 308.338 0.498 20 5 DCBDHN C[C@@H]1CN(C2CCOCC2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000488705885 272049156 /nfs/dbraw/zinc/04/91/56/272049156.db2.gz YRGQZEQXYMVCBI-CYBMUJFWSA-N 0 3 323.397 0.976 20 5 DCBDHN CN(C)C/C=C\C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000493729845 272206421 /nfs/dbraw/zinc/20/64/21/272206421.db2.gz WPRZANYMJZDJKL-XQRVVYSFSA-N 0 3 319.365 0.756 20 5 DCBDHN N[C@H]1C[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CCN2C1=O ZINC000519710653 287679963 /nfs/dbraw/zinc/67/99/63/287679963.db2.gz NEAAKMIOBXVQNJ-SFYZADRCSA-N 0 3 322.350 0.052 20 5 DCBDHN CN1CC[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000564724201 288762415 /nfs/dbraw/zinc/76/24/15/288762415.db2.gz ZAHFZSIOZIEBLM-QWRGUYRKSA-N 0 3 309.322 0.155 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001653830408 1173794975 /nfs/dbraw/zinc/79/49/75/1173794975.db2.gz NVILNFCNEJAOPT-OUAUKWLOSA-N 0 3 302.281 0.739 20 5 DCBDHN CC(C)Oc1nc(N2C[C@H](O)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000582371234 336947550 /nfs/dbraw/zinc/94/75/50/336947550.db2.gz RLACVIQARSIWDA-RYUDHWBXSA-N 0 3 310.354 0.888 20 5 DCBDHN Cc1cc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000584670832 337381393 /nfs/dbraw/zinc/38/13/93/337381393.db2.gz SUHNATNCBONHFE-NSHDSACASA-N 0 3 322.365 0.699 20 5 DCBDHN COc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1O ZINC000569352595 518151092 /nfs/dbraw/zinc/15/10/92/518151092.db2.gz WKKKCVQSDBZKHB-GFCCVEGCSA-N 0 3 322.321 0.656 20 5 DCBDHN CC[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247190304 523283492 /nfs/dbraw/zinc/28/34/92/523283492.db2.gz BQLXNCPMAFANHN-NEPJUHHUSA-N 0 3 300.384 0.980 20 5 DCBDHN CN(C)CCN(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000266983614 524060491 /nfs/dbraw/zinc/06/04/91/524060491.db2.gz RAPXBOKIIOYFBT-UHFFFAOYSA-N 0 3 318.337 0.809 20 5 DCBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000285480210 536307564 /nfs/dbraw/zinc/30/75/64/536307564.db2.gz IBPRVJPRGBAGRX-CHWSQXEVSA-N 0 3 309.322 0.615 20 5 DCBDHN CCN(CCO)CCNC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001670000939 1174969882 /nfs/dbraw/zinc/96/98/82/1174969882.db2.gz GWMGMTNTAFHVMM-UHFFFAOYSA-N 0 3 311.342 0.156 20 5 DCBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000893754075 661404537 /nfs/dbraw/zinc/40/45/37/661404537.db2.gz VVKXTFQLLBBMNU-QWHCGFSZSA-N 0 3 322.369 0.669 20 5 DCBDHN CCc1nn(C)c(N2CC[C@@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897222325 662405562 /nfs/dbraw/zinc/40/55/62/662405562.db2.gz UFDAVHGFNKLGHE-CHWSQXEVSA-N 0 3 323.397 0.926 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(CC3CCOCC3)C2)c1 ZINC000905974601 663592688 /nfs/dbraw/zinc/59/26/88/663592688.db2.gz VVZNIMOLQLLJJJ-HNNXBMFYSA-N 0 3 324.381 0.901 20 5 DCBDHN CN(CCO)CCN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000912606408 664193059 /nfs/dbraw/zinc/19/30/59/664193059.db2.gz CIAGTHGMHLKONX-UHFFFAOYSA-N 0 3 309.366 0.910 20 5 DCBDHN Cc1cncc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031662029 665273488 /nfs/dbraw/zinc/27/34/88/665273488.db2.gz RBUFXHDSBWVTKI-ZIAGYGMSSA-N 0 3 304.350 0.603 20 5 DCBDHN Cc1noc(CNCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997766833 665335908 /nfs/dbraw/zinc/33/59/08/665335908.db2.gz CPRLIVCYTRCAMM-VXGBXAGGSA-N 0 3 323.353 0.371 20 5 DCBDHN Cc1noc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996429295 666791158 /nfs/dbraw/zinc/79/11/58/666791158.db2.gz OPACSUJQYZHDTM-GHMZBOCLSA-N 0 3 309.326 0.124 20 5 DCBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCN1CC[C@H](O)C1 ZINC000863829460 667186770 /nfs/dbraw/zinc/18/67/70/667186770.db2.gz HJJIKZBJQNORKB-ZRFDWSJLSA-N 0 3 305.334 0.791 20 5 DCBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCN1CC[C@H](O)C1 ZINC000863829459 667186860 /nfs/dbraw/zinc/18/68/60/667186860.db2.gz HJJIKZBJQNORKB-XSHSDMCLSA-N 0 3 305.334 0.791 20 5 DCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3OCCN[C@H]3C2)c1 ZINC000923385014 667522270 /nfs/dbraw/zinc/52/22/70/667522270.db2.gz SGHLPYPACKYNOL-RRFJBIMHSA-N 0 3 307.350 0.691 20 5 DCBDHN CO[C@H]1COCC[C@H]1N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000880433557 669210633 /nfs/dbraw/zinc/21/06/33/669210633.db2.gz OXSCHLPHMARBOS-OLZOCXBDSA-N 0 3 311.338 0.492 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000932536989 669381843 /nfs/dbraw/zinc/38/18/43/669381843.db2.gz WVVBMMYHUNEQFF-LBPRGKRZSA-N 0 3 307.354 0.652 20 5 DCBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN(C)C ZINC000935982529 669807677 /nfs/dbraw/zinc/80/76/77/669807677.db2.gz YLVNVPGQCSEDEK-VIFPVBQESA-N 0 3 313.379 0.969 20 5 DCBDHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103046 670610495 /nfs/dbraw/zinc/61/04/95/670610495.db2.gz MIZWRXQJYIWNLM-GXFFZTMASA-N 0 3 319.321 0.974 20 5 DCBDHN CC(COC(=O)CCN1C(=O)NC2(CCCC2)C1=O)[N+](=O)[O-] ZINC000813101616 670611096 /nfs/dbraw/zinc/61/10/96/670611096.db2.gz FNKNOVQZEIIDCY-VIFPVBQESA-N 0 3 313.310 0.450 20 5 DCBDHN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103047 670611104 /nfs/dbraw/zinc/61/11/04/670611104.db2.gz MIZWRXQJYIWNLM-MFKMUULPSA-N 0 3 319.321 0.974 20 5 DCBDHN CC(COC(=O)[C@H]1COCCN1CC(F)(F)F)[N+](=O)[O-] ZINC000813114447 670613160 /nfs/dbraw/zinc/61/31/60/670613160.db2.gz BNMDJGSWZNZAPV-HTQZYQBOSA-N 0 3 300.233 0.458 20 5 DCBDHN CC(COC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)[N+](=O)[O-] ZINC000813115125 670613382 /nfs/dbraw/zinc/61/33/82/670613382.db2.gz KWGIBDRASBMXPZ-QWRGUYRKSA-N 0 3 307.306 0.639 20 5 DCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1CNCCO1 ZINC000818011653 670962217 /nfs/dbraw/zinc/96/22/17/670962217.db2.gz KZJVPOJSKKZVRR-GFCCVEGCSA-N 0 3 319.321 0.049 20 5 DCBDHN O=C1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819132301 671097959 /nfs/dbraw/zinc/09/79/59/671097959.db2.gz VUYFAMXLEQAAFV-SMDDNHRTSA-N 0 3 305.334 0.981 20 5 DCBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000843854573 672125347 /nfs/dbraw/zinc/12/53/47/672125347.db2.gz SWDFUQCIRZEEFI-AWEZNQCLSA-N 0 3 311.313 0.839 20 5 DCBDHN Cc1nn(CN2CC[C@H]3[C@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000902641709 685458867 /nfs/dbraw/zinc/45/88/67/685458867.db2.gz AEUWMLYTQCWFGK-OLZOCXBDSA-N 0 3 309.370 0.588 20 5 DCBDHN Cc1ccnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001020138845 693709516 /nfs/dbraw/zinc/70/95/16/693709516.db2.gz DKKOQDAASSQAHP-DDHJBXDOSA-N 0 3 305.338 0.187 20 5 DCBDHN CCn1c(C)nnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138878 693709706 /nfs/dbraw/zinc/70/97/06/693709706.db2.gz GCBSRPJHROFGQL-DDHJBXDOSA-N 0 3 322.369 0.008 20 5 DCBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(OC)ccn1 ZINC001691017485 1157402157 /nfs/dbraw/zinc/40/21/57/1157402157.db2.gz JVLSWYMKMAVDLA-ZIAGYGMSSA-N 0 3 322.365 0.694 20 5 DCBDHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)CC(N)=O ZINC001569191062 1160972299 /nfs/dbraw/zinc/97/22/99/1160972299.db2.gz RAOOTVAOYADEBL-UHFFFAOYSA-N 0 3 314.367 0.470 20 5 DCBDHN C[C@@](N)(C(=O)NCCN1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC001576080686 1164234869 /nfs/dbraw/zinc/23/48/69/1164234869.db2.gz FWPODZQOSBUUFX-HNNXBMFYSA-N 0 3 304.350 0.757 20 5 DCBDHN CNc1nccc(C(=O)NC[C@@]2(C)CNCCO2)c1[N+](=O)[O-] ZINC001578764216 1165097006 /nfs/dbraw/zinc/09/70/06/1165097006.db2.gz UXYGQMGXRCJLBN-CYBMUJFWSA-N 0 3 309.326 0.140 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(CN)cnn1C ZINC001579242435 1165248257 /nfs/dbraw/zinc/24/82/57/1165248257.db2.gz NCSXMDILYPEGBW-UHFFFAOYSA-N 0 3 319.321 0.726 20 5 DCBDHN CN(C[C@@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591058476 1167098577 /nfs/dbraw/zinc/09/85/77/1167098577.db2.gz REQHBRXWIGQUTR-VIFPVBQESA-N 0 3 318.341 0.700 20 5 DCBDHN CN(C[C@@H]1CCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591058476 1167098582 /nfs/dbraw/zinc/09/85/82/1167098582.db2.gz REQHBRXWIGQUTR-VIFPVBQESA-N 0 3 318.341 0.700 20 5 DCBDHN CN(C[C@@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591058476 1167098586 /nfs/dbraw/zinc/09/85/86/1167098586.db2.gz REQHBRXWIGQUTR-VIFPVBQESA-N 0 3 318.341 0.700 20 5 DCBDHN CN(C[C@@H]1CCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591058476 1167098589 /nfs/dbraw/zinc/09/85/89/1167098589.db2.gz REQHBRXWIGQUTR-VIFPVBQESA-N 0 3 318.341 0.700 20 5 DCBDHN Cc1cc(C(=O)N2CC(N[C@H]3CCOC3)C2)c(N)c([N+](=O)[O-])c1 ZINC001635940409 1171718825 /nfs/dbraw/zinc/71/88/25/1171718825.db2.gz BECKLXGIELIKPM-JTQLQIEISA-N 0 3 320.349 0.688 20 5 DCBDHN CN1CCC(CCO)(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001637806349 1171779685 /nfs/dbraw/zinc/77/96/85/1171779685.db2.gz VHLBBGNDVVOKKJ-UHFFFAOYSA-N 0 3 308.338 0.566 20 5 DCBDHN NC(=O)c1cc(N2CC(N[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001651457962 1173749356 /nfs/dbraw/zinc/74/93/56/1173749356.db2.gz VNGKUNYGLZWCGL-VIFPVBQESA-N 0 3 306.322 0.261 20 5 DCBDHN CC1(C)CNC(=O)[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001654676948 1173809177 /nfs/dbraw/zinc/80/91/77/1173809177.db2.gz SLHMJNWNISXHAN-ZWNOBZJWSA-N 0 3 323.349 0.449 20 5 DCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)N1CCO ZINC001658674877 1173924764 /nfs/dbraw/zinc/92/47/64/1173924764.db2.gz ZDFQYDFCZMLJQM-BETUJISGSA-N 0 3 324.381 0.143 20 5 DCBDHN Cn1nncc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126524330 748934556 /nfs/dbraw/zinc/93/45/56/748934556.db2.gz OTUGWJVFQMNMCH-UHFFFAOYSA-N 0 3 304.310 0.243 20 5 DCBDHN Cn1cncc1CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001147871749 767867274 /nfs/dbraw/zinc/86/72/74/767867274.db2.gz KNTZBNUBEDOCCY-UHFFFAOYSA-N 0 3 317.349 0.777 20 5 DCBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c2c1CNC2=O)[C@@H]1CNCCO1 ZINC001170569970 763866155 /nfs/dbraw/zinc/86/61/55/763866155.db2.gz BLVRYOHYEUNEJU-PELKAZGASA-N 0 3 306.322 0.627 20 5 DCBDHN Cc1nonc1CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001146250958 767408291 /nfs/dbraw/zinc/40/82/91/767408291.db2.gz FTBXIYDYVLOKCH-UHFFFAOYSA-N 0 3 319.321 0.735 20 5 DCBDHN Cc1cc(F)cc(C(=O)N[C@H]2COC3(CNC3)C2)c1[N+](=O)[O-] ZINC001122063500 767708605 /nfs/dbraw/zinc/70/86/05/767708605.db2.gz LEHCBNZGMZPBFE-SNVBAGLBSA-N 0 3 309.297 0.903 20 5 DCBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)S(=O)(=O)CCN ZINC001173214910 769561405 /nfs/dbraw/zinc/56/14/05/769561405.db2.gz RNOMZNPFUBOKLT-JTQLQIEISA-N 0 3 301.368 0.746 20 5 DCBDHN O=C(Cn1cncn1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001150249931 769710402 /nfs/dbraw/zinc/71/04/02/769710402.db2.gz JZLZYPKLHNKSFV-UHFFFAOYSA-N 0 3 304.310 0.092 20 5 DCBDHN Cc1cc(Cl)c([N+](=O)[O-])c([N-][C@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001155571415 770548830 /nfs/dbraw/zinc/54/88/30/770548830.db2.gz SPPRAXZYRAMCNZ-PRHODGIISA-N 0 3 311.729 0.942 20 5 DCBDHN CCOC(=O)COc1ncc(-n2nccc2CN)cc1[N+](=O)[O-] ZINC001162593269 772395809 /nfs/dbraw/zinc/39/58/09/772395809.db2.gz FIAYMZYKMJOHGS-UHFFFAOYSA-N 0 3 321.293 0.576 20 5 DCBDHN COc1ncc([N+](=O)[O-])c(NCc2nnn3c2CNCCC3)n1 ZINC001162971918 772437452 /nfs/dbraw/zinc/43/74/52/772437452.db2.gz BKHCXLOQTNAUMW-UHFFFAOYSA-N 0 3 320.313 0.090 20 5 DCBDHN CN(CCNCc1cc2n(n1)CCCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371735 939438080 /nfs/dbraw/zinc/43/80/80/939438080.db2.gz SGIJZXISETXDGJ-ZIAGYGMSSA-N 0 3 321.381 0.433 20 5 DCBDHN Cc1nc(N2CC[C@@H]3[C@H]2CCCN3CCO)ncc1[N+](=O)[O-] ZINC001333872449 952183316 /nfs/dbraw/zinc/18/33/16/952183316.db2.gz KTALDXQEEZRTEI-VXGBXAGGSA-N 0 3 307.354 0.729 20 5 DCBDHN O=C(CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)NC1CC1 ZINC001335673809 952580430 /nfs/dbraw/zinc/58/04/30/952580430.db2.gz NNESTHIVQRDWKK-LBPRGKRZSA-N 0 3 309.322 0.203 20 5 DCBDHN CCN1CCN(C2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001339840947 953123880 /nfs/dbraw/zinc/12/38/80/953123880.db2.gz NXEDINQDGNAEJX-UHFFFAOYSA-N 0 3 307.354 0.522 20 5 DCBDHN C[C@@H]1[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC001303798409 960065887 /nfs/dbraw/zinc/06/58/87/960065887.db2.gz AUFDGDCFCQMSSQ-ZWNOBZJWSA-N 0 3 320.349 0.533 20 5 DCBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001307208643 960145025 /nfs/dbraw/zinc/14/50/25/960145025.db2.gz MZGSMZNQGLXHIX-UHFFFAOYSA-N 0 3 322.365 0.823 20 5 DCBDHN CN(CCNc1cc[nH]c(=O)c1[N+](=O)[O-])CCOCCO ZINC001640320176 1171875840 /nfs/dbraw/zinc/87/58/40/1171875840.db2.gz KQDBTTPSZBICKY-UHFFFAOYSA-N 0 3 300.315 0.048 20 5 DCBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184602248 529948612 /nfs/dbraw/zinc/94/86/12/529948612.db2.gz FMYCVCROGBNMAX-SNVBAGLBSA-N 0 3 307.354 0.986 20 5 DCBDHN COC(=O)c1cc(NC(=O)COC2CNC2)cc([N+](=O)[O-])c1 ZINC000430192961 240383926 /nfs/dbraw/zinc/38/39/26/240383926.db2.gz QBQJDVHMUTVFMP-UHFFFAOYSA-N 0 3 309.278 0.308 20 5 DCBDHN CS[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271769966 209199026 /nfs/dbraw/zinc/19/90/26/209199026.db2.gz IMMOUIITIGCPAA-PSASIEDQSA-N 0 3 313.383 0.446 20 5 DCBDHN CN(C)[C@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000573282348 291622372 /nfs/dbraw/zinc/62/23/72/291622372.db2.gz BQRLNMOQPLBMGJ-QWHCGFSZSA-N 0 3 323.353 0.638 20 5 DCBDHN CN(C)Cc1cccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000343006737 253579307 /nfs/dbraw/zinc/57/93/07/253579307.db2.gz JZVGCVCMXQSXPX-UHFFFAOYSA-N 0 3 318.337 0.564 20 5 DCBDHN Cc1cc(C(=O)NCC(=O)N[C@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000346259589 254028558 /nfs/dbraw/zinc/02/85/58/254028558.db2.gz KLPKGNSHSHTEQI-LLVKDONJSA-N 0 3 322.365 0.699 20 5 DCBDHN COC[C@](C)(N)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276152802 285472350 /nfs/dbraw/zinc/47/23/50/285472350.db2.gz FADUMVHEZPEZGP-GFCCVEGCSA-N 0 3 317.367 0.774 20 5 DCBDHN Cn1ccnc1[C@H]1CNCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000261769822 396064519 /nfs/dbraw/zinc/06/45/19/396064519.db2.gz NWDOVQFJAGMZCZ-LLVKDONJSA-N 0 3 305.342 0.171 20 5 DCBDHN N[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000261794766 396066498 /nfs/dbraw/zinc/06/64/98/396066498.db2.gz QJHCCBGEZQYAGM-UONOGXRCSA-N 0 3 315.333 0.745 20 5 DCBDHN Cc1nn(C)c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000177169552 396167937 /nfs/dbraw/zinc/16/79/37/396167937.db2.gz XNPVEWNWEJCHAL-WPRPVWTQSA-N 0 3 307.354 0.992 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](N2CCCCC2)C1 ZINC000264478493 396283460 /nfs/dbraw/zinc/28/34/60/396283460.db2.gz HLIMTWVDVUHJQP-LBPRGKRZSA-N 0 3 307.354 0.878 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC(Cn3cncn3)CC2)n1 ZINC000186239273 396346368 /nfs/dbraw/zinc/34/63/68/396346368.db2.gz RGQIIEIVAHWUSW-UHFFFAOYSA-N 0 3 305.342 0.795 20 5 DCBDHN C[C@H](C[S@@](C)=O)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580184381 396491606 /nfs/dbraw/zinc/49/16/06/396491606.db2.gz XUSZTSKQSOPIPQ-NNJUXLKUSA-N 0 3 316.379 0.691 20 5 DCBDHN COc1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC000588869444 396696981 /nfs/dbraw/zinc/69/69/81/396696981.db2.gz PUFPOUWRCRMXNR-LBPRGKRZSA-N 0 3 323.349 0.790 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000588864355 396697078 /nfs/dbraw/zinc/69/70/78/396697078.db2.gz FOKLNLCNXJJWOX-QMMMGPOBSA-N 0 3 301.730 0.901 20 5 DCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CN1CCCC1 ZINC000588869319 396697279 /nfs/dbraw/zinc/69/72/79/396697279.db2.gz MPIJZQLCHJLHGN-CYBMUJFWSA-N 0 3 307.350 0.710 20 5 DCBDHN NC(=O)c1ccc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000596087980 396716234 /nfs/dbraw/zinc/71/62/34/396716234.db2.gz IWFHEDIILLLSDW-UHFFFAOYSA-N 0 3 322.365 0.952 20 5 DCBDHN Cn1c(C(=O)NC2CCN([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000610913268 396782276 /nfs/dbraw/zinc/78/22/76/396782276.db2.gz MTXHUCMWRZBTSB-LBPRGKRZSA-N 0 3 322.365 0.916 20 5 DCBDHN CNc1ccc(C(=O)NCCN(C)CCOC)cc1[N+](=O)[O-] ZINC000315530319 396790749 /nfs/dbraw/zinc/79/07/49/396790749.db2.gz GYVAMAAABCNDCN-UHFFFAOYSA-N 0 3 310.354 0.945 20 5 DCBDHN Cc1c(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000596580324 396797401 /nfs/dbraw/zinc/79/74/01/396797401.db2.gz VSQPXNAWEZHNIK-KBPBESRZSA-N 0 3 322.365 0.720 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc3c(c2)OCO3)c1 ZINC000320597444 396814058 /nfs/dbraw/zinc/81/40/58/396814058.db2.gz BVRXOAIZBAZVKW-LBPRGKRZSA-N 0 3 320.305 0.671 20 5 DCBDHN COc1ccc(CC(=O)NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600530333 396883815 /nfs/dbraw/zinc/88/38/15/396883815.db2.gz CNZKRFIXGSQFEH-GFCCVEGCSA-N 0 3 323.349 0.329 20 5 DCBDHN COc1cc(C(=O)N[C@H](CO)CN(C)C)c([N+](=O)[O-])cc1F ZINC000597654232 397046597 /nfs/dbraw/zinc/04/65/97/397046597.db2.gz PZIAYPUBQOHXKF-QMMMGPOBSA-N 0 3 315.301 0.395 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597654509 397046739 /nfs/dbraw/zinc/04/67/39/397046739.db2.gz SDGAPNSJAYVGEI-SNVBAGLBSA-N 0 3 313.379 0.726 20 5 DCBDHN CC(C)[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1 ZINC000592543747 397206228 /nfs/dbraw/zinc/20/62/28/397206228.db2.gz GVUANWGBNVKNSI-GFCCVEGCSA-N 0 3 309.370 0.983 20 5 DCBDHN O=C(NCC(=O)N1CCCNCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000598661995 397270194 /nfs/dbraw/zinc/27/01/94/397270194.db2.gz LNSWBSWROINEGO-UHFFFAOYSA-N 0 3 321.337 0.538 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381454293 397272041 /nfs/dbraw/zinc/27/20/41/397272041.db2.gz HQDIBTRPUVHFGG-HTQZYQBOSA-N 0 3 303.340 0.617 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C[C@@H]2CCOC2)CC1 ZINC000602781312 397483739 /nfs/dbraw/zinc/48/37/39/397483739.db2.gz SJBZVSRRNMRKLU-AWEZNQCLSA-N 0 3 323.397 0.754 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594204685 397513498 /nfs/dbraw/zinc/51/34/98/397513498.db2.gz WRAPIXARHQSROI-OLZOCXBDSA-N 0 3 307.354 0.924 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000602890191 397513626 /nfs/dbraw/zinc/51/36/26/397513626.db2.gz XJHLJHLQMAMCGV-NWDGAFQWSA-N 0 3 307.354 0.700 20 5 DCBDHN C[C@H]1COCCN1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000579850246 397595788 /nfs/dbraw/zinc/59/57/88/397595788.db2.gz RPWNWRHKNVOVBE-ZDUSSCGKSA-N 0 3 323.397 0.976 20 5 DCBDHN CN(CCCNCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000603633184 397618196 /nfs/dbraw/zinc/61/81/96/397618196.db2.gz JTMCJYYZCRHOBQ-UHFFFAOYSA-N 0 3 301.368 0.966 20 5 DCBDHN O=C(CN1CCCC1)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609132806 397761373 /nfs/dbraw/zinc/76/13/73/397761373.db2.gz JYPJHRWCVLXMTN-UHFFFAOYSA-N 0 3 319.365 0.734 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000320777061 159010964 /nfs/dbraw/zinc/01/09/64/159010964.db2.gz LUKUSPFPLLUDBY-NWDGAFQWSA-N 0 3 320.349 0.770 20 5 DCBDHN C[C@H]1C[C@H](N2CCOCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000367578968 159345215 /nfs/dbraw/zinc/34/52/15/159345215.db2.gz XKYMFNTXRYSEDF-STQMWFEESA-N 0 3 309.370 0.586 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368050086 159372068 /nfs/dbraw/zinc/37/20/68/159372068.db2.gz YPOHUGKVNFLIHK-WDEREUQCSA-N 0 3 320.349 0.770 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([C@H]3CCOC3)CC2)c1 ZINC000368273357 159385148 /nfs/dbraw/zinc/38/51/48/159385148.db2.gz QFDGYMCPUDPGIW-DZGCQCFKSA-N 0 3 324.381 0.901 20 5 DCBDHN O=C1[C@@H](N2C[C@H]3[C@H](CO)[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368333705 159388186 /nfs/dbraw/zinc/38/81/86/159388186.db2.gz URGGPPFAKNAEKD-YJNKXOJESA-N 0 3 317.345 0.870 20 5 DCBDHN NC[C@@H]1CCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420296260 287286698 /nfs/dbraw/zinc/28/66/98/287286698.db2.gz WYLVUHOFPGQLBT-LBPRGKRZSA-N 0 3 313.379 0.792 20 5 DCBDHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164719 415276124 /nfs/dbraw/zinc/27/61/24/415276124.db2.gz WPCJYGVEHOGCHY-IPYPFGDCSA-N 0 3 323.397 0.711 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](COC(F)F)C2)c1 ZINC000353021378 415410623 /nfs/dbraw/zinc/41/06/23/415410623.db2.gz JTDVFVVYBUUGCW-ONGXEEELSA-N 0 3 320.296 0.713 20 5 DCBDHN CN1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276109688 415428376 /nfs/dbraw/zinc/42/83/76/415428376.db2.gz AMLZOCZNBWLBJC-UHFFFAOYSA-N 0 3 308.338 0.364 20 5 DCBDHN CCCCN(C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343496786 415618850 /nfs/dbraw/zinc/61/88/50/415618850.db2.gz WRUZJPOQBDJRKL-UHFFFAOYSA-N 0 3 310.354 0.605 20 5 DCBDHN C[C@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCN1C ZINC000343433705 415597905 /nfs/dbraw/zinc/59/79/05/415597905.db2.gz GSXWOAWNPUGBIT-JQWIXIFHSA-N 0 3 308.338 0.355 20 5 DCBDHN CCC[C@@]1(CO)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344127286 415844847 /nfs/dbraw/zinc/84/48/47/415844847.db2.gz JMKGCHUECBDCEW-UONOGXRCSA-N 0 3 312.370 0.637 20 5 DCBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1N1CCCC1 ZINC000356114975 415873761 /nfs/dbraw/zinc/87/37/61/415873761.db2.gz JFLXVCIXMRWDFU-QWRGUYRKSA-N 0 3 324.410 0.983 20 5 DCBDHN CCc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358059763 416182752 /nfs/dbraw/zinc/18/27/52/416182752.db2.gz DMSGRWGEUKIHGO-HNNXBMFYSA-N 0 3 307.350 0.954 20 5 DCBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000347704578 416221336 /nfs/dbraw/zinc/22/13/36/416221336.db2.gz WWJOBPOWQOOHTF-UHFFFAOYSA-N 0 3 323.397 0.643 20 5 DCBDHN CCCN(CCN1CCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000342245742 416300632 /nfs/dbraw/zinc/30/06/32/416300632.db2.gz KCNWIZMYJRQEIU-UHFFFAOYSA-N 0 3 310.358 0.521 20 5 DCBDHN CN1CC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000416493255 416372591 /nfs/dbraw/zinc/37/25/91/416372591.db2.gz DHTFUCMXKIJUBN-LBPRGKRZSA-N 0 3 313.379 0.966 20 5 DCBDHN Cc1c(CNC(=O)[C@@H]2CN3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000360525422 416394285 /nfs/dbraw/zinc/39/42/85/416394285.db2.gz AUOCEQFVZAGXAS-HNNXBMFYSA-N 0 3 318.377 0.909 20 5 DCBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000584183247 416508702 /nfs/dbraw/zinc/50/87/02/416508702.db2.gz AKSGSRJKQVHFHF-CABZTGNLSA-N 0 3 322.296 0.118 20 5 DCBDHN CN1C(=O)NCC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000425546720 416714452 /nfs/dbraw/zinc/71/44/52/416714452.db2.gz ULNHWQIXRKWVJJ-UHFFFAOYSA-N 0 3 308.342 0.281 20 5 DCBDHN NCc1cn([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000521252233 417000113 /nfs/dbraw/zinc/00/01/13/417000113.db2.gz DDIXRUJZBQODDI-GFCCVEGCSA-N 0 3 320.357 0.179 20 5 DCBDHN NC1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000449354279 417141075 /nfs/dbraw/zinc/14/10/75/417141075.db2.gz LVQJOLPGYHSKIG-JTQLQIEISA-N 0 3 305.338 0.884 20 5 DCBDHN CC[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C ZINC000531989455 417650269 /nfs/dbraw/zinc/65/02/69/417650269.db2.gz UVXWNLCRIBBTAP-ZDUSSCGKSA-N 0 3 321.381 0.979 20 5 DCBDHN CC1CCN(C[C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532399877 417678369 /nfs/dbraw/zinc/67/83/69/417678369.db2.gz ANQRXPQVANAYFW-ZDUSSCGKSA-N 0 3 322.365 0.812 20 5 DCBDHN CC1=CCN(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000355308155 261329602 /nfs/dbraw/zinc/32/96/02/261329602.db2.gz ACKYGZGTJKALJW-UHFFFAOYSA-N 0 3 307.354 0.950 20 5 DCBDHN C[C@@H](NC(=O)NC[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000417128779 262246916 /nfs/dbraw/zinc/24/69/16/262246916.db2.gz JGBAZLFDOWGVIX-MFKMUULPSA-N 0 3 308.338 0.943 20 5 DCBDHN COC(=O)[C@H]1C[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000519759135 287680944 /nfs/dbraw/zinc/68/09/44/287680944.db2.gz JEPJYXJVSYBQPI-NTZNESFSSA-N 0 3 324.333 0.876 20 5 DCBDHN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000546799965 288030519 /nfs/dbraw/zinc/03/05/19/288030519.db2.gz ZBVDTTRYBSEOGU-UHFFFAOYSA-N 0 3 316.383 0.856 20 5 DCBDHN COc1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000563899340 288714105 /nfs/dbraw/zinc/71/41/05/288714105.db2.gz UEUPQIRVHFUCII-PSASIEDQSA-N 0 3 324.312 0.491 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000577801208 341937494 /nfs/dbraw/zinc/93/74/94/341937494.db2.gz YTGNRAYGXZAALE-KBPBESRZSA-N 0 3 322.365 0.164 20 5 DCBDHN CN(C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000153931996 521785360 /nfs/dbraw/zinc/78/53/60/521785360.db2.gz VLCUGXAENBTVEQ-UHFFFAOYSA-N 0 3 304.310 0.467 20 5 DCBDHN CN(C)C1(CN(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000190004636 524034445 /nfs/dbraw/zinc/03/44/45/524034445.db2.gz BHQDOTRRJZPOLQ-UHFFFAOYSA-N 0 3 324.385 0.917 20 5 DCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000157369596 524909261 /nfs/dbraw/zinc/90/92/61/524909261.db2.gz GUUNUMUEPULUAH-SNVBAGLBSA-N 0 3 315.351 0.170 20 5 DCBDHN CCN1CCN([C@H](C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000330751236 529151895 /nfs/dbraw/zinc/15/18/95/529151895.db2.gz ZCUDUTYRRAEABD-SNVBAGLBSA-N 0 3 324.385 0.382 20 5 DCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C)CCN(C)CC1 ZINC000897095746 662390334 /nfs/dbraw/zinc/39/03/34/662390334.db2.gz VVCGTVDWHRAOEU-UHFFFAOYSA-N 0 3 310.402 0.803 20 5 DCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCCN2C[C@@H]1CO ZINC000872758182 667935932 /nfs/dbraw/zinc/93/59/32/667935932.db2.gz SSOZOCQYHLSZGI-NWDGAFQWSA-N 0 3 309.370 0.765 20 5 DCBDHN CN(C)C[C@H]1NC(=O)N(CCc2ccccc2[N+](=O)[O-])C1=O ZINC000924702876 668230874 /nfs/dbraw/zinc/23/08/74/668230874.db2.gz VNWQCAPWCDRPQT-LLVKDONJSA-N 0 3 306.322 0.619 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](CN2CCOC2=O)C1 ZINC000878660138 668753629 /nfs/dbraw/zinc/75/36/29/668753629.db2.gz PFWZAUJTYJLPQU-LBPRGKRZSA-N 0 3 323.353 0.874 20 5 DCBDHN CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813106772 670611668 /nfs/dbraw/zinc/61/16/68/670611668.db2.gz GYKIHIZXVKHUHR-NXEZZACHSA-N 0 3 308.356 0.257 20 5 DCBDHN Cc1nc(Cn2nnc(C(=O)OCC(C)[N+](=O)[O-])c2C)no1 ZINC000813104458 670611913 /nfs/dbraw/zinc/61/19/13/670611913.db2.gz MVRAOVWZKWDHEN-ZCFIWIBFSA-N 0 3 310.270 0.148 20 5 DCBDHN CC(COC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[N+](=O)[O-] ZINC000813112311 670612647 /nfs/dbraw/zinc/61/26/47/670612647.db2.gz PKTHFTHKEHOPMZ-VIFPVBQESA-N 0 3 316.335 0.759 20 5 DCBDHN O=C1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000819131865 671097594 /nfs/dbraw/zinc/09/75/94/671097594.db2.gz QLNJDGXZOBHOGS-FZMZJTMJSA-N 0 3 305.334 0.981 20 5 DCBDHN CN1C(=O)CC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819384394 671115770 /nfs/dbraw/zinc/11/57/70/671115770.db2.gz YFSQVHWVTJQUMS-NEPJUHHUSA-N 0 3 307.306 0.365 20 5 DCBDHN CC(COC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)[N+](=O)[O-] ZINC000860777015 671237646 /nfs/dbraw/zinc/23/76/46/671237646.db2.gz JFOGGCPGEOCZOX-NHLYECAPSA-N 0 3 303.292 0.905 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCN(Cc1ccns1)C2 ZINC001072725186 694657281 /nfs/dbraw/zinc/65/72/81/694657281.db2.gz KFKKROKRZPOCCO-VXGBXAGGSA-N 0 3 322.390 0.843 20 5 DCBDHN CCN(CCNCc1cncc(OC)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001568741982 1160756871 /nfs/dbraw/zinc/75/68/71/1160756871.db2.gz KEPPWMDENTWZJA-VXGBXAGGSA-N 0 3 323.353 0.089 20 5 DCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCNC[C@H]1F ZINC001580582830 1165644471 /nfs/dbraw/zinc/64/44/71/1165644471.db2.gz YNLSNMVBUVILSI-VXGBXAGGSA-N 0 3 321.312 0.761 20 5 DCBDHN O=C(NC[C@H]1CNCCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001580667616 1165681097 /nfs/dbraw/zinc/68/10/97/1165681097.db2.gz YLSOKEFZZCNVOQ-SNVBAGLBSA-N 0 3 304.306 0.794 20 5 DCBDHN C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591015236 1167082121 /nfs/dbraw/zinc/08/21/21/1167082121.db2.gz JUWSLAOAMSWVIN-UHFFFAOYSA-N 0 3 303.326 0.773 20 5 DCBDHN C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591015236 1167082125 /nfs/dbraw/zinc/08/21/25/1167082125.db2.gz JUWSLAOAMSWVIN-UHFFFAOYSA-N 0 3 303.326 0.773 20 5 DCBDHN [NH3+]C1(CO)CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001592740852 1167625913 /nfs/dbraw/zinc/62/59/13/1167625913.db2.gz NMFHSZKTFAEQOM-UHFFFAOYSA-N 0 3 319.325 0.065 20 5 DCBDHN [NH3+]C1(CO)CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001592740852 1167625916 /nfs/dbraw/zinc/62/59/16/1167625916.db2.gz NMFHSZKTFAEQOM-UHFFFAOYSA-N 0 3 319.325 0.065 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001626175163 1169593974 /nfs/dbraw/zinc/59/39/74/1169593974.db2.gz RPDOYKXKXLDEGB-NEPJUHHUSA-N 0 3 320.349 0.770 20 5 DCBDHN O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001607082015 1170385409 /nfs/dbraw/zinc/38/54/09/1170385409.db2.gz JPVDCWMJYNUCOI-JTQLQIEISA-N 0 3 319.325 0.253 20 5 DCBDHN O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001607082015 1170385416 /nfs/dbraw/zinc/38/54/16/1170385416.db2.gz JPVDCWMJYNUCOI-JTQLQIEISA-N 0 3 319.325 0.253 20 5 DCBDHN O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)c(-c2nn[n-]n2)c1 ZINC001607082015 1170385425 /nfs/dbraw/zinc/38/54/25/1170385425.db2.gz JPVDCWMJYNUCOI-JTQLQIEISA-N 0 3 319.325 0.253 20 5 DCBDHN O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c(-c2nn[n-]n2)c1 ZINC001607082015 1170385433 /nfs/dbraw/zinc/38/54/33/1170385433.db2.gz JPVDCWMJYNUCOI-JTQLQIEISA-N 0 3 319.325 0.253 20 5 DCBDHN C[NH+](C)CCOCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609268369 1170905545 /nfs/dbraw/zinc/90/55/45/1170905545.db2.gz CYYLRHHLPUYIDP-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN C[NH+](C)CCOCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609268369 1170905546 /nfs/dbraw/zinc/90/55/46/1170905546.db2.gz CYYLRHHLPUYIDP-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001609602520 1171039350 /nfs/dbraw/zinc/03/93/50/1171039350.db2.gz RQNVUHQTYDFIDF-AOOOYVTPSA-N 0 3 315.337 0.426 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001609602520 1171039355 /nfs/dbraw/zinc/03/93/55/1171039355.db2.gz RQNVUHQTYDFIDF-AOOOYVTPSA-N 0 3 315.337 0.426 20 5 DCBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001643345106 1171970958 /nfs/dbraw/zinc/97/09/58/1171970958.db2.gz GJKRJDJZMPQCHN-JTQLQIEISA-N 0 3 322.365 0.752 20 5 DCBDHN COC(=O)c1cnc(N2CC(N[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001651457683 1173749394 /nfs/dbraw/zinc/74/93/94/1173749394.db2.gz QQIYVLVRUCDWQB-JTQLQIEISA-N 0 3 322.321 0.344 20 5 DCBDHN COC(=O)CNC(=O)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001652971184 1173779300 /nfs/dbraw/zinc/77/93/00/1173779300.db2.gz CJAKRQONVHPHNC-IZZDOVSWSA-N 0 3 321.333 0.877 20 5 DCBDHN Cc1cccnc1CN(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001699000735 1177759837 /nfs/dbraw/zinc/75/98/37/1177759837.db2.gz GXLATIVWKOQUBK-TZMCWYRMSA-N 0 3 306.366 0.945 20 5 DCBDHN CCN(CCNC(=O)c1nnc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001753091712 1188496319 /nfs/dbraw/zinc/49/63/19/1188496319.db2.gz GTPDCENBGRQGKZ-UHFFFAOYSA-N 0 3 318.337 0.965 20 5 DCBDHN COc1nc(N(C)CCN2CCCC2)nc(OC)c1[N+](=O)[O-] ZINC001165140218 757228154 /nfs/dbraw/zinc/22/81/54/757228154.db2.gz KBGJVRQLRYKMGP-UHFFFAOYSA-N 0 3 311.342 0.934 20 5 DCBDHN CS(=O)(=O)N(c1cc([N+](=O)[O-])cc(Cl)n1)C1CNC1 ZINC001166967448 757985418 /nfs/dbraw/zinc/98/54/18/757985418.db2.gz LQPSWSZAKYCHGC-UHFFFAOYSA-N 0 3 306.731 0.381 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N(CCO)C1CCN(C)CC1 ZINC000828754026 759098231 /nfs/dbraw/zinc/09/82/31/759098231.db2.gz QCMNHRUABFEJMY-UHFFFAOYSA-N 0 3 310.354 0.462 20 5 DCBDHN C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1C1CCCC1 ZINC001123943574 768084072 /nfs/dbraw/zinc/08/40/72/768084072.db2.gz OSKNATYGVSFMOY-NSHDSACASA-N 0 3 322.369 0.662 20 5 DCBDHN Cc1[nH]c(=O)[nH]c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001129995381 763074803 /nfs/dbraw/zinc/07/48/03/763074803.db2.gz MVQACPPFMXOSSV-UHFFFAOYSA-N 0 3 319.321 0.852 20 5 DCBDHN Cn1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)[nH]c1=O ZINC001133332385 764928559 /nfs/dbraw/zinc/92/85/59/764928559.db2.gz LHHHYZZBMDBFQO-UHFFFAOYSA-N 0 3 319.321 0.554 20 5 DCBDHN NCCS(=O)(=O)N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897931 769513171 /nfs/dbraw/zinc/51/31/71/769513171.db2.gz DWDJVWGVZYKTJI-GFCCVEGCSA-N 0 3 313.379 0.720 20 5 DCBDHN Cc1cc(Cl)nc([N-][C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155570245 770547660 /nfs/dbraw/zinc/54/76/60/770547660.db2.gz LJZUHYDQPVQMDB-KRTXAFLBSA-N 0 3 311.729 0.942 20 5 DCBDHN CN(CCNc1ncc([N+](=O)[O-])cc1F)CCOCCO ZINC001187422995 772183972 /nfs/dbraw/zinc/18/39/72/772183972.db2.gz ODHBHQDEYWILDF-UHFFFAOYSA-N 0 3 302.306 0.482 20 5 DCBDHN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3NCCO[C@H]3C2)c1 ZINC001165270410 772713823 /nfs/dbraw/zinc/71/38/23/772713823.db2.gz FBKYHIQSOZUJOY-UWVGGRQHSA-N 0 3 314.729 0.449 20 5 DCBDHN CCN(C)[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC001196220227 773559835 /nfs/dbraw/zinc/55/98/35/773559835.db2.gz VNWNUQYQUYFYJS-VIFPVBQESA-N 0 3 317.371 0.043 20 5 DCBDHN CO[C@@H]1CCN(CCOc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230231746 776268213 /nfs/dbraw/zinc/26/82/13/776268213.db2.gz RAFGXPUCKCIOIN-SECBINFHSA-N 0 3 307.310 0.966 20 5 DCBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001321427687 946328526 /nfs/dbraw/zinc/32/85/26/946328526.db2.gz VEJVCFMCZFRNKB-NSHDSACASA-N 0 3 323.353 0.691 20 5 DCBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCC(N)=O ZINC001254547061 946409334 /nfs/dbraw/zinc/40/93/34/946409334.db2.gz UOVURRQKRDPLJG-UWVGGRQHSA-N 0 3 308.338 0.105 20 5 DCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC2(CNC2)C1 ZINC001327632540 948579420 /nfs/dbraw/zinc/57/94/20/948579420.db2.gz MJORCKWOOBAPPE-UHFFFAOYSA-N 0 3 306.322 0.451 20 5 DCBDHN CN(CCO)CCN(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001333777166 952152441 /nfs/dbraw/zinc/15/24/41/952152441.db2.gz PLUZQLCLQNRNDG-UHFFFAOYSA-N 0 3 322.365 0.840 20 5 DCBDHN Cc1nc(N2CC[C@@H]3[C@@H]2CCCN3CCO)ncc1[N+](=O)[O-] ZINC001333872446 952182942 /nfs/dbraw/zinc/18/29/42/952182942.db2.gz KTALDXQEEZRTEI-NEPJUHHUSA-N 0 3 307.354 0.729 20 5 DCBDHN Cc1nn(C)c(N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC001334938657 952416014 /nfs/dbraw/zinc/41/60/14/952416014.db2.gz ZKYYKCPVCDQKKV-UHFFFAOYSA-N 0 3 308.386 0.320 20 5 DCBDHN C[C@H](c1nnc(N2CCN(C3CCOCC3)CC2)n1C)[N+](=O)[O-] ZINC001339542311 953101241 /nfs/dbraw/zinc/10/12/41/953101241.db2.gz RMQNFFJLAOFTAF-LLVKDONJSA-N 0 3 324.385 0.454 20 5 DCBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1COC2(CNC2)C1 ZINC001340615478 953183099 /nfs/dbraw/zinc/18/30/99/953183099.db2.gz OKFGFXXEVCFVDE-RYBZSIHZSA-N 0 3 303.318 0.855 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC001340800289 953195119 /nfs/dbraw/zinc/19/51/19/953195119.db2.gz OHKRIPGGQITTCO-LLVKDONJSA-N 0 3 322.365 0.792 20 5 DCBDHN COc1ccc(CNC(=O)[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC001343179399 953326840 /nfs/dbraw/zinc/32/68/40/953326840.db2.gz IWNCIDMNGFENRQ-LBPRGKRZSA-N 0 3 308.338 0.123 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@@H]1CCN1C1CCOCC1 ZINC001344369746 953476042 /nfs/dbraw/zinc/47/60/42/953476042.db2.gz YZRFAMPLYHCTDS-LBPRGKRZSA-N 0 3 324.337 0.588 20 5 DCBDHN CCCNC(=O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001346618522 953931664 /nfs/dbraw/zinc/93/16/64/953931664.db2.gz CESNOKSSLLCZSO-LBPRGKRZSA-N 0 3 311.338 0.450 20 5 DCBDHN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(Cl)nc1 ZINC001492249989 959754413 /nfs/dbraw/zinc/75/44/13/959754413.db2.gz NVWUJGFVEWCRKQ-GHMZBOCLSA-N 0 3 312.757 0.948 20 5 DCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC(N[C@H]2CCOC2)C1 ZINC001456299568 1010177668 /nfs/dbraw/zinc/17/76/68/1010177668.db2.gz VLSUJMNJSLZJNU-LBPRGKRZSA-N 0 3 305.334 0.727 20 5 DCBDHN C[C@@H](CN(C)C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286921594 219226897 /nfs/dbraw/zinc/22/68/97/219226897.db2.gz IKWUVVJENDLULQ-NSHDSACASA-N 0 3 322.365 0.781 20 5 DCBDHN C[C@@H](CN(C)C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000287187130 219367379 /nfs/dbraw/zinc/36/73/79/219367379.db2.gz LYWGLFPVBTUANX-QWRGUYRKSA-N 0 3 322.365 0.779 20 5 DCBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1COC[C@H]1O ZINC000296048858 186687857 /nfs/dbraw/zinc/68/78/57/186687857.db2.gz UYWXFQUAWSSBCF-ZWKOPEQDSA-N 0 3 309.322 0.661 20 5 DCBDHN CN(C)C(=O)CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000182159784 199395415 /nfs/dbraw/zinc/39/54/15/199395415.db2.gz FLIMJHPSIWNPDM-UHFFFAOYSA-N 0 3 309.370 0.982 20 5 DCBDHN Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1C ZINC000313823353 291252551 /nfs/dbraw/zinc/25/25/51/291252551.db2.gz LIEXONKGITUUDM-AWEZNQCLSA-N 0 3 305.338 0.954 20 5 DCBDHN N[C@@H]1C[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250126 291345404 /nfs/dbraw/zinc/34/54/04/291345404.db2.gz BLPWHJJWKLFCHB-GXTWGEPZSA-N 0 3 320.349 0.217 20 5 DCBDHN Cc1cccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000569021054 291459104 /nfs/dbraw/zinc/45/91/04/291459104.db2.gz NCUUPHDNZTWPTB-PWSUYJOCSA-N 0 3 318.333 0.287 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN(C)C ZINC000288279868 220059952 /nfs/dbraw/zinc/05/99/52/220059952.db2.gz VFPXNIUAWFXHIS-JTQLQIEISA-N 0 3 308.338 0.908 20 5 DCBDHN C[NH+](C)CCOCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000347179393 254135879 /nfs/dbraw/zinc/13/58/79/254135879.db2.gz OTKUMRYBZZXNOA-UHFFFAOYSA-N 0 3 317.367 0.451 20 5 DCBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000351144746 254333931 /nfs/dbraw/zinc/33/39/31/254333931.db2.gz XWDYHFLGNIVFGN-WDEREUQCSA-N 0 3 311.338 0.934 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000272975463 130079018 /nfs/dbraw/zinc/07/90/18/130079018.db2.gz CWLAKHOBUYLCSP-KGLIPLIRSA-N 0 3 324.312 0.615 20 5 DCBDHN C[C@@H](O)CN(CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289361027 131377628 /nfs/dbraw/zinc/37/76/28/131377628.db2.gz AHCWOJIOIVIEDD-VXGBXAGGSA-N 0 3 314.338 0.010 20 5 DCBDHN CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000270743209 395803511 /nfs/dbraw/zinc/80/35/11/395803511.db2.gz AMSLDXANUPJEQV-QWRGUYRKSA-N 0 3 313.383 0.295 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000119060481 395867213 /nfs/dbraw/zinc/86/72/13/395867213.db2.gz INRVZSRHKOTCMM-GFCCVEGCSA-N 0 3 305.342 0.795 20 5 DCBDHN Cc1c(NC(=O)CCN2C[C@H](O)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000245653747 395933200 /nfs/dbraw/zinc/93/32/00/395933200.db2.gz CXIZTZPXYIWEPS-NWDGAFQWSA-N 0 3 323.349 0.659 20 5 DCBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246871161 395959366 /nfs/dbraw/zinc/95/93/66/395959366.db2.gz UQDSPPHFWITJOM-AAEUAGOBSA-N 0 3 307.354 0.734 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN3CCCC[C@H]3C2)c1 ZINC000248335020 395984131 /nfs/dbraw/zinc/98/41/31/395984131.db2.gz GJXIXYZNWXHJFI-JSGCOSHPSA-N 0 3 309.370 0.322 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCCN1C1CC1 ZINC000278062629 396104107 /nfs/dbraw/zinc/10/41/07/396104107.db2.gz WKSIZLHUUHBSHP-LBPRGKRZSA-N 0 3 307.354 0.924 20 5 DCBDHN COCCN(C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000171129466 396108271 /nfs/dbraw/zinc/10/82/71/396108271.db2.gz UORUYZUEXPIWNH-UHFFFAOYSA-N 0 3 311.338 0.668 20 5 DCBDHN CNc1ccc(C(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000531336462 396594206 /nfs/dbraw/zinc/59/42/06/396594206.db2.gz DDMRPMVDSNOAEL-UHFFFAOYSA-N 0 3 322.365 0.823 20 5 DCBDHN Cn1cnc(CCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000562990199 396691342 /nfs/dbraw/zinc/69/13/42/396691342.db2.gz FYFSSLBYDFFSMF-LLVKDONJSA-N 0 3 321.337 0.295 20 5 DCBDHN C[C@H](C[S@](C)=O)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563530183 396748070 /nfs/dbraw/zinc/74/80/70/396748070.db2.gz CUOTYRUWSNHSLF-NNOLRYQLSA-N 0 3 316.379 0.691 20 5 DCBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NCCN1CC[C@@H](O)C1 ZINC000600531860 396885085 /nfs/dbraw/zinc/88/50/85/396885085.db2.gz MTVUFLRYXNIQBR-GFCCVEGCSA-N 0 3 323.349 0.547 20 5 DCBDHN O=C(Nc1nc(N2CCNCC2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000564943755 396906304 /nfs/dbraw/zinc/90/63/04/396906304.db2.gz NSVPEWXJOTWLKQ-UHFFFAOYSA-N 0 3 317.309 0.375 20 5 DCBDHN O=C1CCC[C@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)N1 ZINC000591763758 396998624 /nfs/dbraw/zinc/99/86/24/396998624.db2.gz HMCSXRUTYHHXHQ-YPMHNXCESA-N 0 3 323.349 0.593 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000571946627 397004089 /nfs/dbraw/zinc/00/40/89/397004089.db2.gz GFGULPUIIKKKSW-LLVKDONJSA-N 0 3 322.365 0.699 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597655548 397045993 /nfs/dbraw/zinc/04/59/93/397045993.db2.gz YKNGVKZTGWYLQW-KWCYVHTRSA-N 0 3 307.350 0.737 20 5 DCBDHN COc1cc(C(=O)N[C@@H](CO)CN(C)C)c([N+](=O)[O-])cc1F ZINC000597654231 397046097 /nfs/dbraw/zinc/04/60/97/397046097.db2.gz PZIAYPUBQOHXKF-MRVPVSSYSA-N 0 3 315.301 0.395 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3cn[nH]c3)CC2)c1 ZINC000377908795 397162249 /nfs/dbraw/zinc/16/22/49/397162249.db2.gz IJADYFDJJFDWLT-CQSZACIVSA-N 0 3 320.353 0.755 20 5 DCBDHN COC(=O)[C@@H]1CNCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000592489748 397189549 /nfs/dbraw/zinc/18/95/49/397189549.db2.gz UTGKTQHEJWNKHR-AWEZNQCLSA-N 0 3 323.349 0.811 20 5 DCBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000386776055 397289422 /nfs/dbraw/zinc/28/94/22/397289422.db2.gz IOBMLXVZIRBNJM-ZDUSSCGKSA-N 0 3 306.322 0.951 20 5 DCBDHN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000574668714 397289622 /nfs/dbraw/zinc/28/96/22/397289622.db2.gz AYCVPKRZMHALCR-LLVKDONJSA-N 0 3 322.365 0.320 20 5 DCBDHN CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](CN)C1CC1 ZINC000598914067 397306878 /nfs/dbraw/zinc/30/68/78/397306878.db2.gz WWLYYLXNVSRWEJ-GFCCVEGCSA-N 0 3 306.322 0.729 20 5 DCBDHN O=C(CN1CCNCC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000602436966 397400417 /nfs/dbraw/zinc/40/04/17/397400417.db2.gz BNPFCGJGJORMJN-UHFFFAOYSA-N 0 3 307.354 0.028 20 5 DCBDHN CN(C)C(=O)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578758866 397479981 /nfs/dbraw/zinc/47/99/81/397479981.db2.gz CTBZEHQBFCCDRF-LBPRGKRZSA-N 0 3 311.338 0.402 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594198153 397512435 /nfs/dbraw/zinc/51/24/35/397512435.db2.gz DOJFLKYZCITRMN-RYUDHWBXSA-N 0 3 307.354 0.924 20 5 DCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)CN1CCN(C)CC1 ZINC000604266148 397635553 /nfs/dbraw/zinc/63/55/53/397635553.db2.gz JTJVCRBVKXLOGM-GFCCVEGCSA-N 0 3 323.397 0.547 20 5 DCBDHN COc1ccc(NC(=O)[C@H](C)N2CCNCC2)c([N+](=O)[O-])c1 ZINC000261898521 158750795 /nfs/dbraw/zinc/75/07/95/158750795.db2.gz WHAHVYCJOLTHTA-JTQLQIEISA-N 0 3 308.338 0.836 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000320777070 159010704 /nfs/dbraw/zinc/01/07/04/159010704.db2.gz LUKUSPFPLLUDBY-VXGBXAGGSA-N 0 3 320.349 0.770 20 5 DCBDHN CCN1C[C@H](C)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330588479 159198050 /nfs/dbraw/zinc/19/80/50/159198050.db2.gz UEDCRTRZWWYGCB-OBJOEFQTSA-N 0 3 311.386 0.567 20 5 DCBDHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249356527 287109107 /nfs/dbraw/zinc/10/91/07/287109107.db2.gz ABPJABGSZBUFGF-JTNHKYCSSA-N 0 3 323.349 0.449 20 5 DCBDHN C[C@@H]1CCNC(=O)[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249356523 287109112 /nfs/dbraw/zinc/10/91/12/287109112.db2.gz ABPJABGSZBUFGF-GYSYKLTISA-N 0 3 323.349 0.449 20 5 DCBDHN CC[C@]1(CO)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000249577636 287114685 /nfs/dbraw/zinc/11/46/85/287114685.db2.gz PYIFDUICIIXYCZ-KGLIPLIRSA-N 0 3 312.370 0.637 20 5 DCBDHN COC(=O)CC[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000342749029 415277458 /nfs/dbraw/zinc/27/74/58/415277458.db2.gz KQEFTZZHBYYQAG-GFCCVEGCSA-N 0 3 324.337 0.403 20 5 DCBDHN CCN1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])c(C)n3)[C@H]2C1 ZINC000294959717 415876779 /nfs/dbraw/zinc/87/67/79/415876779.db2.gz NHQHUOLSAALWII-QWHCGFSZSA-N 0 3 307.354 0.993 20 5 DCBDHN COc1c(C(=O)NCCOCCN(C)C)cccc1[N+](=O)[O-] ZINC000356663714 415970375 /nfs/dbraw/zinc/97/03/75/415970375.db2.gz BVXBNWNLYCMUDF-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000173365125 416057106 /nfs/dbraw/zinc/05/71/06/416057106.db2.gz OYLNKPSOHHEUAC-YPMHNXCESA-N 0 3 320.353 0.755 20 5 DCBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298912481 416037924 /nfs/dbraw/zinc/03/79/24/416037924.db2.gz DWYBJLJVHWPTEV-UHFFFAOYSA-N 0 3 309.370 0.680 20 5 DCBDHN CN(C)CCO[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357539436 416093588 /nfs/dbraw/zinc/09/35/88/416093588.db2.gz RXGZWXGTNLDLOQ-JTQLQIEISA-N 0 3 323.353 0.246 20 5 DCBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301813627 416094102 /nfs/dbraw/zinc/09/41/02/416094102.db2.gz HZELPLCLVUUJGI-CYBMUJFWSA-N 0 3 319.365 0.908 20 5 DCBDHN Cc1nn(C)c(C(=O)N2CCO[C@@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000330690996 416231787 /nfs/dbraw/zinc/23/17/87/416231787.db2.gz GFEPDYMUPGGBLW-JTQLQIEISA-N 0 3 311.342 0.039 20 5 DCBDHN COc1cccc(C(=O)NC[C@@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000192820763 416311003 /nfs/dbraw/zinc/31/10/03/416311003.db2.gz BJKNRSMPGXEXRV-CQSZACIVSA-N 0 3 311.338 0.646 20 5 DCBDHN O=C(CN[C@@H](CO)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000359875759 416364082 /nfs/dbraw/zinc/36/40/82/416364082.db2.gz NWBAECFOOQBGOJ-ZDUSSCGKSA-N 0 3 323.349 0.910 20 5 DCBDHN CNc1ccc(C(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000533110516 416475808 /nfs/dbraw/zinc/47/58/08/416475808.db2.gz VINJUXYTANDXOZ-CQSZACIVSA-N 0 3 310.354 0.679 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000545170997 416665214 /nfs/dbraw/zinc/66/52/14/416665214.db2.gz GBIAZRBORUFTMK-CQSZACIVSA-N 0 3 323.305 0.120 20 5 DCBDHN COc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000556979191 416721186 /nfs/dbraw/zinc/72/11/86/416721186.db2.gz YLVQXSNPPWYQHL-RYUDHWBXSA-N 0 3 309.322 0.350 20 5 DCBDHN O=C(CCN1CC[C@@H](CO)[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558166777 416763384 /nfs/dbraw/zinc/76/33/84/416763384.db2.gz VNSDCNWQQURGIR-SMDDNHRTSA-N 0 3 323.349 0.599 20 5 DCBDHN O=C(CCN1CC[C@H](CO)[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558166774 416764192 /nfs/dbraw/zinc/76/41/92/416764192.db2.gz VNSDCNWQQURGIR-BXUZGUMPSA-N 0 3 323.349 0.599 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CC[S@@](=O)C1 ZINC000521863243 417028936 /nfs/dbraw/zinc/02/89/36/417028936.db2.gz VHDLRKIADWFPHQ-OIAVYIFSSA-N 0 3 314.363 0.445 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCNCC1 ZINC000415307958 417362453 /nfs/dbraw/zinc/36/24/53/417362453.db2.gz KIIWJCRJYOGXHO-UHFFFAOYSA-N 0 3 322.321 0.364 20 5 DCBDHN CNc1nccc(C(=O)N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000569939009 417304770 /nfs/dbraw/zinc/30/47/70/417304770.db2.gz GSZPUJBSOFUILO-NSHDSACASA-N 0 3 321.381 1.445 20 5 DCBDHN C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN(C2CC2)C1 ZINC000452171012 417458143 /nfs/dbraw/zinc/45/81/43/417458143.db2.gz NMYMIOYCKYRCDX-NSHDSACASA-N 0 3 307.354 0.734 20 5 DCBDHN CCn1nc(C)c(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000573358439 417470512 /nfs/dbraw/zinc/47/05/12/417470512.db2.gz OQWMSWNEWNBYRS-CYBMUJFWSA-N 0 3 322.369 0.775 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000576122839 417582701 /nfs/dbraw/zinc/58/27/01/417582701.db2.gz QBAVWHDKHQXVHK-PSASIEDQSA-N 0 3 311.729 0.391 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000359516762 261751803 /nfs/dbraw/zinc/75/18/03/261751803.db2.gz MXJPIOODMFUBIA-NWDGAFQWSA-N 0 3 312.301 0.873 20 5 DCBDHN CC(C)[C@@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000156430648 275671822 /nfs/dbraw/zinc/67/18/22/275671822.db2.gz HGOXLFSREISDOE-CYBMUJFWSA-N 0 3 316.379 0.975 20 5 DCBDHN CCN1CCN(CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548741717 288172622 /nfs/dbraw/zinc/17/26/22/288172622.db2.gz OYELUVNIHKGPDE-UHFFFAOYSA-N 0 3 324.385 0.465 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000583828813 337339563 /nfs/dbraw/zinc/33/95/63/337339563.db2.gz XYXXMJPJKHJXEG-KBPBESRZSA-N 0 3 318.333 0.823 20 5 DCBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccccc1 ZINC000266524036 523024145 /nfs/dbraw/zinc/02/41/45/523024145.db2.gz JVRVUVCOVYRQGU-CABCVRRESA-N 0 3 320.349 0.818 20 5 DCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161410140 524558986 /nfs/dbraw/zinc/55/89/86/524558986.db2.gz MALFJCVRCFPHRP-AAEUAGOBSA-N 0 3 324.385 0.773 20 5 DCBDHN CC(C)[C@@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169187063 528497600 /nfs/dbraw/zinc/49/76/00/528497600.db2.gz YMNJARHRCVEBMH-ZWNOBZJWSA-N 0 3 307.354 0.986 20 5 DCBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCN(CCO)CC1 ZINC000131570754 665427398 /nfs/dbraw/zinc/42/73/98/665427398.db2.gz YLLIOGVQAXNXST-UHFFFAOYSA-N 0 3 322.365 0.459 20 5 DCBDHN Cc1oc(C(=O)OCC(C)[N+](=O)[O-])cc1S(=O)(=O)N(C)C ZINC000813105358 658718574 /nfs/dbraw/zinc/71/85/74/658718574.db2.gz XWIMFBFHLQRPQY-SSDOTTSWSA-N 0 3 320.323 0.660 20 5 DCBDHN CC(COC(=O)c1cccc(NS(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813106219 658723898 /nfs/dbraw/zinc/72/38/98/658723898.db2.gz AVMRELMDJPZNLN-QMMMGPOBSA-N 0 3 302.308 0.880 20 5 DCBDHN CN1C[C@H](O)C[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000924993847 661846509 /nfs/dbraw/zinc/84/65/09/661846509.db2.gz WNGNVZATNAWTNU-WREBYIDWSA-N 0 3 305.334 0.789 20 5 DCBDHN CC(C)(CCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)[N+](=O)[O-] ZINC000889751733 662031953 /nfs/dbraw/zinc/03/19/53/662031953.db2.gz RYFGEPAKMUAIPO-QWHCGFSZSA-N 0 3 313.398 0.880 20 5 DCBDHN CN(CCO)CCN(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000912609934 664194855 /nfs/dbraw/zinc/19/48/55/664194855.db2.gz TZOAWDJKOVRPIN-UHFFFAOYSA-N 0 3 311.338 0.356 20 5 DCBDHN O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)C2CNC2)cc1 ZINC000923631926 667832736 /nfs/dbraw/zinc/83/27/36/667832736.db2.gz KDNOKCLUGVKQQO-UHFFFAOYSA-N 0 3 311.363 0.861 20 5 DCBDHN NC(=O)C1(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000746475028 667879503 /nfs/dbraw/zinc/87/95/03/667879503.db2.gz RCHDVMMBWGQEPD-GFCCVEGCSA-N 0 3 323.349 0.722 20 5 DCBDHN Cn1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000747232055 667898310 /nfs/dbraw/zinc/89/83/10/667898310.db2.gz QBIUBCDSESKHCG-QWRGUYRKSA-N 0 3 308.338 0.526 20 5 DCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000758124588 668157266 /nfs/dbraw/zinc/15/72/66/668157266.db2.gz OWDFOXPEXSOIPE-JTQLQIEISA-N 0 3 305.338 0.786 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2C[C@@]2(CO)C1 ZINC000782602321 669110139 /nfs/dbraw/zinc/11/01/39/669110139.db2.gz BTJGHDMGEJKCMN-JMSVASOKSA-N 0 3 308.334 0.649 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC000880582131 669242610 /nfs/dbraw/zinc/24/26/10/669242610.db2.gz KPEGVGQGCPNWDJ-CYBMUJFWSA-N 0 3 310.354 0.655 20 5 DCBDHN O=C1OCCN1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785858349 669279228 /nfs/dbraw/zinc/27/92/28/669279228.db2.gz YSGFVYDLIRRIOY-UHFFFAOYSA-N 0 3 309.326 0.880 20 5 DCBDHN CON(C)C(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000799139778 670043816 /nfs/dbraw/zinc/04/38/16/670043816.db2.gz WCRLOHCSOZZNCQ-LLVKDONJSA-N 0 3 323.353 0.886 20 5 DCBDHN O=C(NCC1CCN(C(=O)c2ccn[nH]2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000948817973 670186309 /nfs/dbraw/zinc/18/63/09/670186309.db2.gz BCPCRIGFAFMGSR-ZYHUDNBSSA-N 0 3 321.337 0.043 20 5 DCBDHN Nc1c(C(=O)N[C@@H](CO)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000808224918 670400389 /nfs/dbraw/zinc/40/03/89/670400389.db2.gz XBXZQSBGLUPWCP-SNVBAGLBSA-N 0 3 308.338 0.364 20 5 DCBDHN COCCN1CCC(OC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000847884583 670609387 /nfs/dbraw/zinc/60/93/87/670609387.db2.gz LDVAJIVDFCHWAH-UHFFFAOYSA-N 0 3 312.326 0.596 20 5 DCBDHN CC(COC(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000860777889 671237805 /nfs/dbraw/zinc/23/78/05/671237805.db2.gz YKDWYKVVUPWNSL-LPEHRKFASA-N 0 3 318.326 0.877 20 5 DCBDHN Cc1nn(CN2CC[C@@H]3[C@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC000902641708 685458187 /nfs/dbraw/zinc/45/81/87/685458187.db2.gz AEUWMLYTQCWFGK-CHWSQXEVSA-N 0 3 309.370 0.588 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](O)[C@@H](O)C1 ZINC001620503203 1165089247 /nfs/dbraw/zinc/08/92/47/1165089247.db2.gz CQVMMPMOMLGPAS-KGLIPLIRSA-N 0 3 323.349 0.659 20 5 DCBDHN C[NH+](C)[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3[N+](=O)[O-])C[C@H]21 ZINC001591024664 1167085417 /nfs/dbraw/zinc/08/54/17/1167085417.db2.gz JIAYVQZSGAEUDE-JZYVYDRUSA-N 0 3 316.325 0.166 20 5 DCBDHN C[NH+](C)[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3[N+](=O)[O-])C[C@H]21 ZINC001591024664 1167085422 /nfs/dbraw/zinc/08/54/22/1167085422.db2.gz JIAYVQZSGAEUDE-JZYVYDRUSA-N 0 3 316.325 0.166 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001593469481 1167857880 /nfs/dbraw/zinc/85/78/80/1167857880.db2.gz SCWOHSIUPUYYBL-OCAPTIKFSA-N 0 3 319.300 0.570 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001593469481 1167857887 /nfs/dbraw/zinc/85/78/87/1167857887.db2.gz SCWOHSIUPUYYBL-OCAPTIKFSA-N 0 3 319.300 0.570 20 5 DCBDHN O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001593477917 1167864037 /nfs/dbraw/zinc/86/40/37/1167864037.db2.gz JPVDCWMJYNUCOI-SNVBAGLBSA-N 0 3 319.325 0.253 20 5 DCBDHN O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c(-c2nnn[n-]2)c1 ZINC001593477917 1167864051 /nfs/dbraw/zinc/86/40/51/1167864051.db2.gz JPVDCWMJYNUCOI-SNVBAGLBSA-N 0 3 319.325 0.253 20 5 DCBDHN O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c(-c2nn[n-]n2)c1 ZINC001593477917 1167864066 /nfs/dbraw/zinc/86/40/66/1167864066.db2.gz JPVDCWMJYNUCOI-SNVBAGLBSA-N 0 3 319.325 0.253 20 5 DCBDHN O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c(-c2nn[n-]n2)c1 ZINC001593477917 1167864080 /nfs/dbraw/zinc/86/40/80/1167864080.db2.gz JPVDCWMJYNUCOI-SNVBAGLBSA-N 0 3 319.325 0.253 20 5 DCBDHN C[NH+](C)CC1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604679847 1169653273 /nfs/dbraw/zinc/65/32/73/1169653273.db2.gz CQGIBRUVVPGVHX-UHFFFAOYSA-N 0 3 303.326 0.773 20 5 DCBDHN C[NH+](C)CC1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604679847 1169653279 /nfs/dbraw/zinc/65/32/79/1169653279.db2.gz CQGIBRUVVPGVHX-UHFFFAOYSA-N 0 3 303.326 0.773 20 5 DCBDHN C[NH+](C)CC1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001604681096 1169655225 /nfs/dbraw/zinc/65/52/25/1169655225.db2.gz VWJNXRJOFAZBGL-UHFFFAOYSA-N 0 3 303.326 0.773 20 5 DCBDHN C[NH+](C)CC1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001604681096 1169655226 /nfs/dbraw/zinc/65/52/26/1169655226.db2.gz VWJNXRJOFAZBGL-UHFFFAOYSA-N 0 3 303.326 0.773 20 5 DCBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001636885131 1171752324 /nfs/dbraw/zinc/75/23/24/1171752324.db2.gz ULHXNGZXAFGDEB-RYUDHWBXSA-N 0 3 308.338 0.594 20 5 DCBDHN O=[N+]([O-])c1cc(CO)c(N2CC(N[C@@H]3CCOC3)C2)cc1F ZINC001651456475 1173749183 /nfs/dbraw/zinc/74/91/83/1173749183.db2.gz CJJSAZOGEQBDSG-SNVBAGLBSA-N 0 3 311.313 0.793 20 5 DCBDHN COCCN(CCC(=O)OC)CCn1ccc([N+](=O)[O-])n1 ZINC001652476133 1173770052 /nfs/dbraw/zinc/77/00/52/1173770052.db2.gz JLWUQRNKMOQBBC-UHFFFAOYSA-N 0 3 300.315 0.303 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001655303394 1173817576 /nfs/dbraw/zinc/81/75/76/1173817576.db2.gz JNYGZNDORHTRHI-NSHDSACASA-N 0 3 322.369 0.247 20 5 DCBDHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1nc[nH]n1 ZINC001723154921 1184268859 /nfs/dbraw/zinc/26/88/59/1184268859.db2.gz RUDOVLCJLJBXLI-UHFFFAOYSA-N 0 3 318.337 0.965 20 5 DCBDHN CC(C)N(CCCNC(=O)C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001732013827 1185635234 /nfs/dbraw/zinc/63/52/34/1185635234.db2.gz PWGGCZDTRABRKX-UHFFFAOYSA-N 0 3 322.365 0.797 20 5 DCBDHN Cn1nccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124539320 751668743 /nfs/dbraw/zinc/66/87/43/751668743.db2.gz KLKJKZFZPZMVEX-UHFFFAOYSA-N 0 3 303.322 0.848 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1nccs1 ZINC001169041333 760556927 /nfs/dbraw/zinc/55/69/27/760556927.db2.gz JQUPNMRSDUWOPF-UHFFFAOYSA-N 0 3 324.366 0.695 20 5 DCBDHN COC(=O)CNC(=O)[C@@H]1CCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046276 760561833 /nfs/dbraw/zinc/56/18/33/760561833.db2.gz KFIWAKAPYSHGTL-WOPDTQHZSA-N 0 3 313.354 0.185 20 5 DCBDHN CC(C)N(C)CC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001100149827 763354592 /nfs/dbraw/zinc/35/45/92/763354592.db2.gz RMOJJVQKKQWWIG-UHFFFAOYSA-N 0 3 309.370 0.882 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170572072 763875130 /nfs/dbraw/zinc/87/51/30/763875130.db2.gz GPKPGOUIEJUYBX-KWQFWETISA-N 0 3 310.310 0.565 20 5 DCBDHN CC(=O)NC(C)(C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001135381238 765911482 /nfs/dbraw/zinc/91/14/82/765911482.db2.gz VLXDLRINADJVBU-UHFFFAOYSA-N 0 3 322.365 0.715 20 5 DCBDHN O=C(CN[C@H](CO)[C@@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC001171144954 766812127 /nfs/dbraw/zinc/81/21/27/766812127.db2.gz SLOBRDATFCSSOZ-DGCLKSJQSA-N 0 3 323.349 0.910 20 5 DCBDHN O=C(N[C@H]1CCC[C@@H]1N1CCC(O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001175181127 769876357 /nfs/dbraw/zinc/87/63/57/769876357.db2.gz RWIGAGHPLNOQAE-RYUDHWBXSA-N 0 3 323.353 0.426 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cncnc1 ZINC001156981666 770989429 /nfs/dbraw/zinc/98/94/29/770989429.db2.gz GOTOCGPGGXHMLN-UHFFFAOYSA-N 0 3 319.325 0.028 20 5 DCBDHN Cc1ncc([N+](=O)[O-])c(N2CCO[C@H](CN3CCCC3)C2)n1 ZINC001158309060 771756596 /nfs/dbraw/zinc/75/65/96/771756596.db2.gz AJOAUFQEWJUXPL-GFCCVEGCSA-N 0 3 307.354 0.994 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1-n1ncc2c1CCNC2 ZINC001165218543 772706711 /nfs/dbraw/zinc/70/67/11/772706711.db2.gz ODAVTUDWYGZNOV-UHFFFAOYSA-N 0 3 303.278 0.608 20 5 DCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2ncc3c2CCNC3)n1 ZINC001165222367 772707119 /nfs/dbraw/zinc/70/71/19/772707119.db2.gz BDRMQMCXIJCFAT-UHFFFAOYSA-N 0 3 317.309 0.483 20 5 DCBDHN CC(=O)N(C)CC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001317571247 945064652 /nfs/dbraw/zinc/06/46/52/945064652.db2.gz SGYREXFMCCCTEC-UHFFFAOYSA-N 0 3 322.365 0.621 20 5 DCBDHN Cc1noc(C)c1CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001321051246 946140736 /nfs/dbraw/zinc/14/07/36/946140736.db2.gz KQDFUHZMTPWLEM-CWBMUHOVSA-N 0 3 308.338 0.719 20 5 DCBDHN CCOC(=O)CNC(=O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581139 946412210 /nfs/dbraw/zinc/41/22/10/946412210.db2.gz IVMNLOHZQFNXPN-GFCCVEGCSA-N 0 3 321.333 0.331 20 5 DCBDHN NC(=O)COC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001324938744 947580108 /nfs/dbraw/zinc/58/01/08/947580108.db2.gz JVZKDDWLTPGOQR-CQSZACIVSA-N 0 3 323.349 0.595 20 5 DCBDHN Cc1nc(N2CC[C@H]3[C@H]2CCCN3CCO)ncc1[N+](=O)[O-] ZINC001333872447 952183073 /nfs/dbraw/zinc/18/30/73/952183073.db2.gz KTALDXQEEZRTEI-NWDGAFQWSA-N 0 3 307.354 0.729 20 5 DCBDHN O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341368423 953226603 /nfs/dbraw/zinc/22/66/03/953226603.db2.gz MWWJQEAVDUDADO-IACUBPJLSA-N 0 3 317.345 0.945 20 5 DCBDHN CCN1CCN(C2CN(C(=O)c3[nH]nc(C)c3[N+](=O)[O-])C2)CC1 ZINC001347431409 954091011 /nfs/dbraw/zinc/09/10/11/954091011.db2.gz AODSTVXIYXNSIR-UHFFFAOYSA-N 0 3 322.369 0.088 20 5 DCBDHN CCN1CCN(C2CN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)CC1 ZINC001347431409 954091024 /nfs/dbraw/zinc/09/10/24/954091024.db2.gz AODSTVXIYXNSIR-UHFFFAOYSA-N 0 3 322.369 0.088 20 5 DCBDHN CN(CCO)CCN(C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001310991742 960239596 /nfs/dbraw/zinc/23/95/96/960239596.db2.gz DYYUNSHTLFNEAE-UHFFFAOYSA-N 0 3 311.342 0.565 20 5 DCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H](CO)[C@H](CCO)C2)c1 ZINC001473892989 1016986463 /nfs/dbraw/zinc/98/64/63/1016986463.db2.gz MSVTYSVNFNKHDC-UMVBOHGHSA-N 0 3 310.350 0.551 20 5 DCBDHN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC(N[C@H]2CCOC2)C1 ZINC001558552278 1012364665 /nfs/dbraw/zinc/36/46/65/1012364665.db2.gz WLVASSFTHUZGGQ-SMDDNHRTSA-N 0 3 321.333 0.218 20 5 DCBDHN Cc1nccnc1CN(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001479770733 1017729972 /nfs/dbraw/zinc/72/99/72/1017729972.db2.gz QCHHLQISRGQRTI-DGCLKSJQSA-N 0 3 307.354 0.388 20 5 DCBDHN COC(=O)NCC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001493486033 1019456456 /nfs/dbraw/zinc/45/64/56/1019456456.db2.gz FBBGPODTYUNUFC-UHFFFAOYSA-N 0 3 324.337 0.499 20 5 DCBDHN CN(C)CCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000267094767 282091243 /nfs/dbraw/zinc/09/12/43/282091243.db2.gz JIVKWCZYODJWMH-UHFFFAOYSA-N 0 3 309.322 1.000 20 5 DCBDHN COC(=O)[C@@]1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552371 185302914 /nfs/dbraw/zinc/30/29/14/185302914.db2.gz VQOIQCWUYLVJBI-AWEZNQCLSA-N 0 3 309.322 0.642 20 5 DCBDHN COC[C@@H](CO)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279634328 215020466 /nfs/dbraw/zinc/02/04/66/215020466.db2.gz CGQOAKURGKOHIP-CMPLNLGQSA-N 0 3 311.338 0.909 20 5 DCBDHN Cc1c(CNC(=O)N2CCN(C)C[C@H]2CN)cccc1[N+](=O)[O-] ZINC000566728038 291319944 /nfs/dbraw/zinc/31/99/44/291319944.db2.gz GPUHGERYYRDADO-CYBMUJFWSA-N 0 3 321.381 0.688 20 5 DCBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000288509255 220188269 /nfs/dbraw/zinc/18/82/69/220188269.db2.gz SPRSBUPQIFHYCA-NWDGAFQWSA-N 0 3 307.354 0.877 20 5 DCBDHN CCN1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000042592793 183289749 /nfs/dbraw/zinc/28/97/49/183289749.db2.gz GENVJBHALFFMPM-UHFFFAOYSA-N 0 3 306.366 0.962 20 5 DCBDHN CC(C)[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339814506 253149714 /nfs/dbraw/zinc/14/97/14/253149714.db2.gz RXEGOVAAUZZFOV-KBPBESRZSA-N 0 3 312.370 0.899 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)S(C)(=O)=O ZINC000340346561 253240657 /nfs/dbraw/zinc/24/06/57/253240657.db2.gz UUPBJXNYWCZFKB-MRVPVSSYSA-N 0 3 316.335 0.653 20 5 DCBDHN CN1CCC(Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000272902693 210290765 /nfs/dbraw/zinc/29/07/65/210290765.db2.gz MJLHRQBJFVZDIC-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN Cc1n[nH]c(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000331032229 533668882 /nfs/dbraw/zinc/66/88/82/533668882.db2.gz HMPIBMHEJSNGBZ-JTQLQIEISA-N 0 3 324.385 0.382 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284532046 131089530 /nfs/dbraw/zinc/08/95/30/131089530.db2.gz WTNIPQRDHVQYDY-ZDUSSCGKSA-N 0 3 314.317 0.359 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](O)C1 ZINC000114485625 395834948 /nfs/dbraw/zinc/83/49/48/395834948.db2.gz PBZAZZZKEPETHF-LLVKDONJSA-N 0 3 309.322 0.999 20 5 DCBDHN NC(=O)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000194361451 395794942 /nfs/dbraw/zinc/79/49/42/395794942.db2.gz DBSNKWVLDPVUKH-GFCCVEGCSA-N 0 3 323.349 0.532 20 5 DCBDHN C[C@@H]1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000151323044 395983463 /nfs/dbraw/zinc/98/34/63/395983463.db2.gz KHPYNHOYUWJOQD-GHMZBOCLSA-N 0 3 322.369 0.716 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262044346 396093287 /nfs/dbraw/zinc/09/32/87/396093287.db2.gz CGLSZYYKJHHUTA-ZDUSSCGKSA-N 0 3 308.338 0.941 20 5 DCBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000263704864 396225176 /nfs/dbraw/zinc/22/51/76/396225176.db2.gz PHQWXQZHYRRHAN-UHFFFAOYSA-N 0 3 321.381 0.980 20 5 DCBDHN CN1CCC(O)(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080882646 396287568 /nfs/dbraw/zinc/28/75/68/396287568.db2.gz LIYPXMNQTKZRLE-UHFFFAOYSA-N 0 3 323.349 0.547 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CCCCC2)C1 ZINC000264544547 396288846 /nfs/dbraw/zinc/28/88/46/396288846.db2.gz BHYITQVFCKZWPR-LBPRGKRZSA-N 0 3 307.354 0.878 20 5 DCBDHN COCCN1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000264609708 396295518 /nfs/dbraw/zinc/29/55/18/396295518.db2.gz ZGGDZPNXSXFXCT-ZDUSSCGKSA-N 0 3 307.350 0.974 20 5 DCBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000265287778 396305624 /nfs/dbraw/zinc/30/56/24/396305624.db2.gz JYWMVEFTZNYYPL-GFCCVEGCSA-N 0 3 309.370 0.982 20 5 DCBDHN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@@H+]1C[C@H](C)O ZINC000286105725 396375391 /nfs/dbraw/zinc/37/53/91/396375391.db2.gz NJYQTQYHYNANNT-UWVGGRQHSA-N 0 3 311.342 0.235 20 5 DCBDHN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@H+]1C[C@H](C)O ZINC000286105725 396375393 /nfs/dbraw/zinc/37/53/93/396375393.db2.gz NJYQTQYHYNANNT-UWVGGRQHSA-N 0 3 311.342 0.235 20 5 DCBDHN COC(=O)c1cc(NC(=O)[C@H]2C[C@H](O)CN2)cc([N+](=O)[O-])c1 ZINC000269248091 396399662 /nfs/dbraw/zinc/39/96/62/396399662.db2.gz SEPITGPGAUYSEU-WDEREUQCSA-N 0 3 309.278 0.043 20 5 DCBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCN1CCC2 ZINC000372361606 396511134 /nfs/dbraw/zinc/51/11/34/396511134.db2.gz RJWNHDZUUYUWCJ-OAHLLOKOSA-N 0 3 318.377 0.643 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000581754028 396581227 /nfs/dbraw/zinc/58/12/27/396581227.db2.gz WZKWEIOIAXYJIL-STQMWFEESA-N 0 3 308.338 0.140 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CNC1 ZINC000581476566 396557614 /nfs/dbraw/zinc/55/76/14/396557614.db2.gz VMFLYSMYZIMHOA-UHFFFAOYSA-N 0 3 308.294 0.020 20 5 DCBDHN N[C@@H]1C[C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2C1=O ZINC000581559206 396565190 /nfs/dbraw/zinc/56/51/90/396565190.db2.gz QGSUHABHJLZYRO-VHSXEESVSA-N 0 3 316.321 0.219 20 5 DCBDHN Cc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000581677568 396575102 /nfs/dbraw/zinc/57/51/02/396575102.db2.gz GHCKQIATFUFCPG-CHWSQXEVSA-N 0 3 318.333 0.287 20 5 DCBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCCC1 ZINC000588870388 396697027 /nfs/dbraw/zinc/69/70/27/396697027.db2.gz ZBNWYAQXNJJRTN-GFCCVEGCSA-N 0 3 323.349 0.547 20 5 DCBDHN CN1CCC[C@H](N2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)C1 ZINC000596129563 396721990 /nfs/dbraw/zinc/72/19/90/396721990.db2.gz SEVVIOPJSQTUAY-LBPRGKRZSA-N 0 3 320.397 0.788 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H](O)C(F)F)c1 ZINC000563887326 396789563 /nfs/dbraw/zinc/78/95/63/396789563.db2.gz GFLZHQDFIADULS-KOLCDFICSA-N 0 3 306.265 0.550 20 5 DCBDHN COc1ccc(OCCN[C@@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000563707023 396770579 /nfs/dbraw/zinc/77/05/79/396770579.db2.gz LIIORKLJHRHFEY-BXUZGUMPSA-N 0 3 312.322 0.986 20 5 DCBDHN CN1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000590400396 396771730 /nfs/dbraw/zinc/77/17/30/396771730.db2.gz UQTHYQILPFRXES-UHFFFAOYSA-N 0 3 318.377 0.914 20 5 DCBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000564854917 396884303 /nfs/dbraw/zinc/88/43/03/396884303.db2.gz QCJYOAPSEQPCFG-WDEREUQCSA-N 0 3 311.338 0.401 20 5 DCBDHN COc1cc(CNC[C@H]2COCCN2)c([N+](=O)[O-])cc1OC ZINC000600677046 396914476 /nfs/dbraw/zinc/91/44/76/396914476.db2.gz AOZZKRSTUUUQTI-NSHDSACASA-N 0 3 311.338 0.690 20 5 DCBDHN CCN(CC)C[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343319607 396995444 /nfs/dbraw/zinc/99/54/44/396995444.db2.gz KTNQQXYHWZOJTP-LLVKDONJSA-N 0 3 310.354 0.603 20 5 DCBDHN C[C@H](CCO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576087 397098846 /nfs/dbraw/zinc/09/88/46/397098846.db2.gz AMTJSZLSWSRLPZ-SNVBAGLBSA-N 0 3 302.352 0.729 20 5 DCBDHN [NH3+]CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383563437 397278293 /nfs/dbraw/zinc/27/82/93/397278293.db2.gz UMEPNAGLGXBHKK-SECBINFHSA-N 0 3 309.294 0.856 20 5 DCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1C[NH2+]CCCO1 ZINC000389944866 397299112 /nfs/dbraw/zinc/29/91/12/397299112.db2.gz YQHAEHGJHSRZKQ-JTQLQIEISA-N 0 3 315.351 0.252 20 5 DCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000578453811 397438833 /nfs/dbraw/zinc/43/88/33/397438833.db2.gz GUNDLTKVJWMVGV-NWDGAFQWSA-N 0 3 322.296 0.118 20 5 DCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000578453810 397438938 /nfs/dbraw/zinc/43/89/38/397438938.db2.gz GUNDLTKVJWMVGV-NEPJUHHUSA-N 0 3 322.296 0.118 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594198152 397512175 /nfs/dbraw/zinc/51/21/75/397512175.db2.gz DOJFLKYZCITRMN-NWDGAFQWSA-N 0 3 307.354 0.924 20 5 DCBDHN CN[C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594433230 397548747 /nfs/dbraw/zinc/54/87/47/397548747.db2.gz MNNUZJYUESQKQD-NSHDSACASA-N 0 3 320.349 0.487 20 5 DCBDHN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496002141 397568031 /nfs/dbraw/zinc/56/80/31/397568031.db2.gz NQFYNQBFPPRGLO-BDAKNGLRSA-N 0 3 306.315 0.735 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000153225784 287048444 /nfs/dbraw/zinc/04/84/44/287048444.db2.gz FTOFSOUASHXXIH-CQSZACIVSA-N 0 3 313.329 0.705 20 5 DCBDHN Cc1c(NC(=O)CNC(=O)[C@@H](N)C(C)C)cccc1[N+](=O)[O-] ZINC000262059301 287127901 /nfs/dbraw/zinc/12/79/01/287127901.db2.gz DULDDMSQWMRJSD-ZDUSSCGKSA-N 0 3 308.338 0.941 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356286571 287200651 /nfs/dbraw/zinc/20/06/51/287200651.db2.gz XGGJZIFVUMYURA-CQSZACIVSA-N 0 3 307.354 0.886 20 5 DCBDHN CCN(CCO)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000274595063 415355646 /nfs/dbraw/zinc/35/56/46/415355646.db2.gz VWRMSAPPHDPZGA-UHFFFAOYSA-N 0 3 313.358 0.485 20 5 DCBDHN C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@H]1C ZINC000343066957 415432017 /nfs/dbraw/zinc/43/20/17/415432017.db2.gz JJQMFCIGMRRLEM-GHMZBOCLSA-N 0 3 310.358 0.565 20 5 DCBDHN COC(=O)COc1ccc(CNC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000353762356 415649849 /nfs/dbraw/zinc/64/98/49/415649849.db2.gz FWDLHRPOSWQWEV-JTQLQIEISA-N 0 3 312.322 0.865 20 5 DCBDHN O=C([C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1)N1CCCC1 ZINC000287359494 415660233 /nfs/dbraw/zinc/66/02/33/415660233.db2.gz LUHDHJZBRJWSGC-GFCCVEGCSA-N 0 3 307.354 0.736 20 5 DCBDHN C[C@H]1CCN(C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000354009372 415716657 /nfs/dbraw/zinc/71/66/57/415716657.db2.gz VFVXGWGDIGQBOZ-NSHDSACASA-N 0 3 308.338 0.309 20 5 DCBDHN CCOC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122267196 415829807 /nfs/dbraw/zinc/82/98/07/415829807.db2.gz FMPJSDJCFHMIDB-WCQYABFASA-N 0 3 310.354 0.873 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CN(C)C)c1 ZINC000152880059 415972037 /nfs/dbraw/zinc/97/20/37/415972037.db2.gz NZQJGSPMBYSMKF-AWEZNQCLSA-N 0 3 311.338 0.646 20 5 DCBDHN CN1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000299411769 416060939 /nfs/dbraw/zinc/06/09/39/416060939.db2.gz QRNZNAOZXYKRKI-AWEZNQCLSA-N 0 3 309.366 0.972 20 5 DCBDHN CN(C1CNC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000357466660 416085382 /nfs/dbraw/zinc/08/53/82/416085382.db2.gz JSKYUODKQCVKFF-UHFFFAOYSA-N 0 3 305.743 0.841 20 5 DCBDHN COc1cc(S(=O)(=O)N(C)C2CNC2)ccc1[N+](=O)[O-] ZINC000357488808 416088222 /nfs/dbraw/zinc/08/82/22/416088222.db2.gz SMDHJQAZTZDEEX-UHFFFAOYSA-N 0 3 301.324 0.196 20 5 DCBDHN CN(C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000338647583 416121376 /nfs/dbraw/zinc/12/13/76/416121376.db2.gz SDWBSTLEHHJZQX-UHFFFAOYSA-N 0 3 306.326 0.944 20 5 DCBDHN CCCc1n[nH]c(C(=O)NC[C@@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000358046983 416176536 /nfs/dbraw/zinc/17/65/36/416176536.db2.gz LFIIZOQNLSPIAR-ZDUSSCGKSA-N 0 3 311.342 0.067 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000358058010 416181678 /nfs/dbraw/zinc/18/16/78/416181678.db2.gz PXNHHPKYRWXBCY-CQSZACIVSA-N 0 3 308.338 0.190 20 5 DCBDHN CNC(=O)c1ccc(NC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000358328054 416223827 /nfs/dbraw/zinc/22/38/27/416223827.db2.gz IFOHGDIUQMQCQM-AWEZNQCLSA-N 0 3 308.338 0.433 20 5 DCBDHN COCCNCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193365424 416315716 /nfs/dbraw/zinc/31/57/16/416315716.db2.gz QCANXZCIOFMVAT-UHFFFAOYSA-N 0 3 317.367 0.250 20 5 DCBDHN C[C@@H]1CN(CCN(C)CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000195325237 416326250 /nfs/dbraw/zinc/32/62/50/416326250.db2.gz GUWUAXHOCXXIGK-BETUJISGSA-N 0 3 311.386 0.832 20 5 DCBDHN CCN1CCN(C[C@@H](C)CNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590574376 416529655 /nfs/dbraw/zinc/52/96/55/416529655.db2.gz IMRZNDCHXWBNJU-LBPRGKRZSA-N 0 3 322.413 1.258 20 5 DCBDHN COC(=O)CC1(NCCn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC000459395862 416538271 /nfs/dbraw/zinc/53/82/71/416538271.db2.gz ZYVARVPHEASWAL-UHFFFAOYSA-N 0 3 309.322 0.832 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000366448460 416624802 /nfs/dbraw/zinc/62/48/02/416624802.db2.gz VBMQHXKFAHDCRH-RZFFKMDDSA-N 0 3 308.334 0.505 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366432669 416625223 /nfs/dbraw/zinc/62/52/23/416625223.db2.gz HFMWZCXPKCATMH-NDBYEHHHSA-N 0 3 308.334 0.505 20 5 DCBDHN Cn1cc([C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]2N)cn1 ZINC000424226874 416629766 /nfs/dbraw/zinc/62/97/66/416629766.db2.gz PIRDFRWKCHEKOS-WDEREUQCSA-N 0 3 321.362 0.957 20 5 DCBDHN CC1CCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548058038 416684376 /nfs/dbraw/zinc/68/43/76/416684376.db2.gz GOJADVLBUMVFDB-UHFFFAOYSA-N 0 3 307.354 1.034 20 5 DCBDHN CC1CCN(C[C@@H](O)CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000443505980 416765053 /nfs/dbraw/zinc/76/50/53/416765053.db2.gz BFWVFLHEAYSOMB-JTQLQIEISA-N 0 3 300.384 1.556 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCOCCN(C)C ZINC000427706844 416841104 /nfs/dbraw/zinc/84/11/04/416841104.db2.gz OEIKJMXBABLRTO-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429789335 416996054 /nfs/dbraw/zinc/99/60/54/416996054.db2.gz RTZLECUVCTTZMV-NEPJUHHUSA-N 0 3 320.349 0.698 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN(CCO)[C@H]2CCCSC2)n1 ZINC000433180440 417238340 /nfs/dbraw/zinc/23/83/40/417238340.db2.gz JJUKWFBUAXEHCT-NSHDSACASA-N 0 3 300.384 0.981 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc([O-])c(F)c2)c1 ZINC000575377572 417531776 /nfs/dbraw/zinc/53/17/76/417531776.db2.gz WNXZKUDZSIDLFE-NSHDSACASA-N 0 3 310.285 0.787 20 5 DCBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576053076 417575664 /nfs/dbraw/zinc/57/56/64/417575664.db2.gz AZGLCZZRCKRQFG-HONMWMINSA-N 0 3 304.350 0.900 20 5 DCBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456034813 417622607 /nfs/dbraw/zinc/62/26/07/417622607.db2.gz AFGCBHJUIFXANG-UHFFFAOYSA-N 0 3 311.342 0.076 20 5 DCBDHN CC(C)Oc1nc(NC[C@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000577528955 417678042 /nfs/dbraw/zinc/67/80/42/417678042.db2.gz KZYAIATXZNOOBA-CQSZACIVSA-N 0 3 310.354 1.256 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N(C)[C@H](C)CN)c1cccc([N+](=O)[O-])c1 ZINC000418780491 262289412 /nfs/dbraw/zinc/28/94/12/262289412.db2.gz KQJADPJTIWFSNJ-NXEZZACHSA-N 0 3 308.338 0.578 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000493191753 272174692 /nfs/dbraw/zinc/17/46/92/272174692.db2.gz CKFRPFPWYCGUPQ-XQYKZARXSA-N 0 3 305.334 0.741 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H]2COCCO2)c1 ZINC000555575435 288357210 /nfs/dbraw/zinc/35/72/10/288357210.db2.gz JWOKNEDPMAPTNO-GXTWGEPZSA-N 0 3 312.322 0.340 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000563431923 288674306 /nfs/dbraw/zinc/67/43/06/288674306.db2.gz OGNZRPBHPWMMBU-GXSJLCMTSA-N 0 3 306.322 0.352 20 5 DCBDHN N[C@H]1C[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000583154827 337247440 /nfs/dbraw/zinc/24/74/40/337247440.db2.gz IIPXXDNJZNXGPC-ZJUUUORDSA-N 0 3 310.741 0.996 20 5 DCBDHN CN1CCN(CCC(C)(C)NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000584476997 337347554 /nfs/dbraw/zinc/34/75/54/337347554.db2.gz ZHUXPXTYMPEEKO-UHFFFAOYSA-N 0 3 324.385 0.464 20 5 DCBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285014920 535697272 /nfs/dbraw/zinc/69/72/72/535697272.db2.gz DMTLCGUUOSWCHA-UHFFFAOYSA-N 0 3 310.358 0.075 20 5 DCBDHN C[C@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735986711 598500781 /nfs/dbraw/zinc/50/07/81/598500781.db2.gz PMIBXVYFHVRGGR-MRVPVSSYSA-N 0 3 306.330 0.922 20 5 DCBDHN C[C@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735986711 598500782 /nfs/dbraw/zinc/50/07/82/598500782.db2.gz PMIBXVYFHVRGGR-MRVPVSSYSA-N 0 3 306.330 0.922 20 5 DCBDHN C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000736758928 598501960 /nfs/dbraw/zinc/50/19/60/598501960.db2.gz KDYCORCQJXANPT-LLVKDONJSA-N 0 3 318.341 0.922 20 5 DCBDHN C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000736758928 598501961 /nfs/dbraw/zinc/50/19/61/598501961.db2.gz KDYCORCQJXANPT-LLVKDONJSA-N 0 3 318.341 0.922 20 5 DCBDHN CN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825860069 608584012 /nfs/dbraw/zinc/58/40/12/608584012.db2.gz LMHWJAQRIBKKQB-UHFFFAOYSA-N 0 3 306.330 0.558 20 5 DCBDHN CN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825860069 608584013 /nfs/dbraw/zinc/58/40/13/608584013.db2.gz LMHWJAQRIBKKQB-UHFFFAOYSA-N 0 3 306.330 0.558 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](C2OCCO2)C1 ZINC000179208292 658221008 /nfs/dbraw/zinc/22/10/08/658221008.db2.gz MAYHGJVGWRUAFS-GFCCVEGCSA-N 0 3 323.349 0.841 20 5 DCBDHN CCCn1ncnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063589 658814687 /nfs/dbraw/zinc/81/46/87/658814687.db2.gz FIRTVQKRASLVBX-WRWGMCAJSA-N 0 3 322.369 0.090 20 5 DCBDHN CCn1nc(C)c(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001022064059 658816763 /nfs/dbraw/zinc/81/67/63/658816763.db2.gz STJFSESTYDFDRE-LSCVPOLPSA-N 0 3 322.369 0.008 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935982563 659379684 /nfs/dbraw/zinc/37/96/84/659379684.db2.gz ZFVTYLFNLXNTST-LBPRGKRZSA-N 0 3 313.329 0.705 20 5 DCBDHN CC(COC(=O)Cc1c(Br)cnn1C)[N+](=O)[O-] ZINC000893046663 659704458 /nfs/dbraw/zinc/70/44/58/659704458.db2.gz FDJBVDHKFWODEV-LURJTMIESA-N 0 3 306.116 0.934 20 5 DCBDHN CN1C[C@H](O)C[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000924993844 661846408 /nfs/dbraw/zinc/84/64/08/661846408.db2.gz WNGNVZATNAWTNU-QFVHEQCKSA-N 0 3 305.334 0.789 20 5 DCBDHN CC[C@@H](CO)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000727057718 662106924 /nfs/dbraw/zinc/10/69/24/662106924.db2.gz FSDAASXVYDCQQM-QMMMGPOBSA-N 0 3 311.294 0.623 20 5 DCBDHN CCc1nn(C)c(N2CC[C@@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897222326 662405533 /nfs/dbraw/zinc/40/55/33/662405533.db2.gz UFDAVHGFNKLGHE-OLZOCXBDSA-N 0 3 323.397 0.926 20 5 DCBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCC2CCOCC2)C1 ZINC001042711435 662925399 /nfs/dbraw/zinc/92/53/99/662925399.db2.gz SZGQJVQHUQNHCT-ZIAGYGMSSA-N 0 3 311.382 0.611 20 5 DCBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000861345408 666919921 /nfs/dbraw/zinc/91/99/21/666919921.db2.gz TZNXCEBKFKRRRJ-GWCFXTLKSA-N 0 3 312.326 0.444 20 5 DCBDHN CON(C)C(=O)[C@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000863586848 667160340 /nfs/dbraw/zinc/16/03/40/667160340.db2.gz FXUWNVANZBEQRC-JTQLQIEISA-N 0 3 324.337 0.921 20 5 DCBDHN CC(COC(=O)Cn1ccc(Br)cc1=O)[N+](=O)[O-] ZINC000870376731 667735130 /nfs/dbraw/zinc/73/51/30/667735130.db2.gz LMOYJEMRKZOLIT-SSDOTTSWSA-N 0 3 319.111 0.819 20 5 DCBDHN C[C@@H]1CN(C[C@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839578124 668118644 /nfs/dbraw/zinc/11/86/44/668118644.db2.gz WXKFTIZQGCHZQB-XVIXHAIJSA-N 0 3 311.382 0.752 20 5 DCBDHN CN(CCO)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000924998836 668263173 /nfs/dbraw/zinc/26/31/73/668263173.db2.gz GNOATHKTIJLCPF-UHFFFAOYSA-N 0 3 301.730 0.902 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000932551720 669382979 /nfs/dbraw/zinc/38/29/79/669382979.db2.gz LIWKFBFYQMQMOZ-LBPRGKRZSA-N 0 3 307.354 0.795 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000854466161 670571960 /nfs/dbraw/zinc/57/19/60/670571960.db2.gz XNCAMJZSBMYNSP-JTQLQIEISA-N 0 3 317.292 0.725 20 5 DCBDHN C[NH+](C)C[C@@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000854466161 670571965 /nfs/dbraw/zinc/57/19/65/670571965.db2.gz XNCAMJZSBMYNSP-JTQLQIEISA-N 0 3 317.292 0.725 20 5 DCBDHN CC(COC(=O)c1ccc(S(=O)(=O)N(C)C)o1)[N+](=O)[O-] ZINC000813111922 670612101 /nfs/dbraw/zinc/61/21/01/670612101.db2.gz LRQMGQFHQKXLKJ-SSDOTTSWSA-N 0 3 306.296 0.352 20 5 DCBDHN CC(=O)NC[C@H]1CCn2ncc(C(=O)OCC(C)[N+](=O)[O-])c2C1 ZINC000813112565 670612746 /nfs/dbraw/zinc/61/27/46/670612746.db2.gz IIFITMUMXYZNRT-ONGXEEELSA-N 0 3 324.337 0.404 20 5 DCBDHN Nc1ccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000823920864 671413244 /nfs/dbraw/zinc/41/32/44/671413244.db2.gz GFOIJELZIQTVKO-WDEREUQCSA-N 0 3 321.337 0.460 20 5 DCBDHN C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@@H]21 ZINC001591196387 1167144217 /nfs/dbraw/zinc/14/42/17/1167144217.db2.gz WTWIBIMHLBZHAC-RNCFNFMXSA-N 0 3 315.337 0.915 20 5 DCBDHN C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@@H]21 ZINC001591196387 1167144220 /nfs/dbraw/zinc/14/42/20/1167144220.db2.gz WTWIBIMHLBZHAC-RNCFNFMXSA-N 0 3 315.337 0.915 20 5 DCBDHN C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@@H]21 ZINC001591196387 1167144224 /nfs/dbraw/zinc/14/42/24/1167144224.db2.gz WTWIBIMHLBZHAC-RNCFNFMXSA-N 0 3 315.337 0.915 20 5 DCBDHN C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@@H]21 ZINC001591196387 1167144228 /nfs/dbraw/zinc/14/42/28/1167144228.db2.gz WTWIBIMHLBZHAC-RNCFNFMXSA-N 0 3 315.337 0.915 20 5 DCBDHN C[NH2+]C1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC001591216196 1167162289 /nfs/dbraw/zinc/16/22/89/1167162289.db2.gz RFDQNVSKBDPZBH-UHFFFAOYSA-N 0 3 304.314 0.724 20 5 DCBDHN C[NH2+]C1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC001591216196 1167162293 /nfs/dbraw/zinc/16/22/93/1167162293.db2.gz RFDQNVSKBDPZBH-UHFFFAOYSA-N 0 3 304.314 0.724 20 5 DCBDHN CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001603786470 1169389610 /nfs/dbraw/zinc/38/96/10/1169389610.db2.gz CLSGYWUPXCTROI-UHFFFAOYSA-N 0 3 304.314 0.358 20 5 DCBDHN CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001603786470 1169389621 /nfs/dbraw/zinc/38/96/21/1169389621.db2.gz CLSGYWUPXCTROI-UHFFFAOYSA-N 0 3 304.314 0.358 20 5 DCBDHN C[N@H+](CCCCO)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604741466 1169667740 /nfs/dbraw/zinc/66/77/40/1169667740.db2.gz MBEBVNPVZCHFKY-UHFFFAOYSA-N 0 3 306.326 0.979 20 5 DCBDHN C[N@@H+](CCCCO)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604741466 1169667745 /nfs/dbraw/zinc/66/77/45/1169667745.db2.gz MBEBVNPVZCHFKY-UHFFFAOYSA-N 0 3 306.326 0.979 20 5 DCBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001607082787 1170385468 /nfs/dbraw/zinc/38/54/68/1170385468.db2.gz SJMJSUVUEIIBBL-UWVGGRQHSA-N 0 3 301.310 0.431 20 5 DCBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001607082787 1170385474 /nfs/dbraw/zinc/38/54/74/1170385474.db2.gz SJMJSUVUEIIBBL-UWVGGRQHSA-N 0 3 301.310 0.431 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001609602522 1171040533 /nfs/dbraw/zinc/04/05/33/1171040533.db2.gz RQNVUHQTYDFIDF-UWVGGRQHSA-N 0 3 315.337 0.426 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001609602522 1171040541 /nfs/dbraw/zinc/04/05/41/1171040541.db2.gz RQNVUHQTYDFIDF-UWVGGRQHSA-N 0 3 315.337 0.426 20 5 DCBDHN COCC[C@@H](CO)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001621283464 1171408454 /nfs/dbraw/zinc/40/84/54/1171408454.db2.gz UJMFADBGTKXZSU-JTQLQIEISA-N 0 3 300.311 0.796 20 5 DCBDHN CC(C)(O)[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001644832962 1172022022 /nfs/dbraw/zinc/02/20/22/1172022022.db2.gz PHGWTAUEETVTQI-JQWIXIFHSA-N 0 3 310.354 0.608 20 5 DCBDHN CC(C)(O)[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001644832964 1172022587 /nfs/dbraw/zinc/02/25/87/1172022587.db2.gz PHGWTAUEETVTQI-ZYHUDNBSSA-N 0 3 310.354 0.608 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3cnccn3)C2)c1 ZINC001655712533 1173825515 /nfs/dbraw/zinc/82/55/15/1173825515.db2.gz HJMVMCIWFGQPDK-WCQYABFASA-N 0 3 318.337 0.432 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001662172457 1174183931 /nfs/dbraw/zinc/18/39/31/1174183931.db2.gz HUWZEQLDNJQIAJ-ZDUSSCGKSA-N 0 3 312.301 0.922 20 5 DCBDHN CC(=O)NCC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001731887212 1185548496 /nfs/dbraw/zinc/54/84/96/1185548496.db2.gz LDMJLLFIQXPOAQ-UHFFFAOYSA-N 0 3 308.338 0.279 20 5 DCBDHN CCNC(=O)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126002073 748181840 /nfs/dbraw/zinc/18/18/40/748181840.db2.gz CVAZKDBWXAYJQF-UHFFFAOYSA-N 0 3 308.338 0.327 20 5 DCBDHN Cc1cc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001086082405 759691778 /nfs/dbraw/zinc/69/17/78/759691778.db2.gz MYBJVXFSPNDLHY-LYIQGSDWSA-N 0 3 308.338 0.633 20 5 DCBDHN Cc1nc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)o1 ZINC001086363327 760101526 /nfs/dbraw/zinc/10/15/26/760101526.db2.gz OECAQTUWWADZNB-HKUMRIAESA-N 0 3 322.365 0.941 20 5 DCBDHN CN(CCNc1ncccc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001101633416 764209985 /nfs/dbraw/zinc/20/99/85/764209985.db2.gz QBRLRTHYFAPPJB-UHFFFAOYSA-N 0 3 307.354 0.956 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605210 764535494 /nfs/dbraw/zinc/53/54/94/764535494.db2.gz FRJXNVVAVUNAQF-WDNDVIMCSA-N 0 3 305.334 0.693 20 5 DCBDHN NC(=O)NCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001175566880 769928688 /nfs/dbraw/zinc/92/86/88/769928688.db2.gz CWZDSCJSNGGHHD-UHFFFAOYSA-N 0 3 323.353 0.249 20 5 DCBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC(N[C@@H]2CCOC2)C1 ZINC001179008138 770927060 /nfs/dbraw/zinc/92/70/60/770927060.db2.gz HFEDOXCDRLWRMZ-SNVBAGLBSA-N 0 3 309.297 0.937 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cc[nH]c1 ZINC001158604005 771794309 /nfs/dbraw/zinc/79/43/09/771794309.db2.gz SJUUBAMFEKEDOZ-UHFFFAOYSA-N 0 3 306.326 0.566 20 5 DCBDHN O=[N+]([O-])c1c(Cl)ncnc1NCc1nnn2c1CNCCC2 ZINC001162967271 772436851 /nfs/dbraw/zinc/43/68/51/772436851.db2.gz OAYAIDAWEGDGJP-UHFFFAOYSA-N 0 3 324.732 0.735 20 5 DCBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001321427686 946329037 /nfs/dbraw/zinc/32/90/37/946329037.db2.gz VEJVCFMCZFRNKB-LLVKDONJSA-N 0 3 323.353 0.691 20 5 DCBDHN NC(=O)C1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001327581709 948560018 /nfs/dbraw/zinc/56/00/18/948560018.db2.gz JGDDLCNKUQJSIL-LBPRGKRZSA-N 0 3 309.322 0.252 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328729969 949056315 /nfs/dbraw/zinc/05/63/15/949056315.db2.gz XSPSLVDNZAJJNT-ZDUSSCGKSA-N 0 3 306.322 0.608 20 5 DCBDHN Cc1nc(C)c(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001274014818 951327371 /nfs/dbraw/zinc/32/73/71/951327371.db2.gz DCXQRUMLCGUQCY-OPVGQWETSA-N 0 3 308.338 0.719 20 5 DCBDHN CN1CCN(C2CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)CC1 ZINC001337940679 952937241 /nfs/dbraw/zinc/93/72/41/952937241.db2.gz ISAUODVJQGHJNO-UHFFFAOYSA-N 0 3 320.397 0.788 20 5 DCBDHN Cn1c(C[N+](=O)[O-])nnc1N1CCN(CC2CCOCC2)CC1 ZINC001339663333 953110703 /nfs/dbraw/zinc/11/07/03/953110703.db2.gz BCXUUBXCMBGMGH-UHFFFAOYSA-N 0 3 324.385 0.140 20 5 DCBDHN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccn[nH]1 ZINC001283718330 954554440 /nfs/dbraw/zinc/55/44/40/954554440.db2.gz VDBYKVBPMGLTRD-MWLCHTKSSA-N 0 3 309.326 0.043 20 5 DCBDHN COc1c([O-])ccc(C[NH2+]CCCOCCO)c1[N+](=O)[O-] ZINC001474387395 957717527 /nfs/dbraw/zinc/71/75/27/957717527.db2.gz NGHZNFXJDVTDSK-UHFFFAOYSA-N 0 3 300.311 0.798 20 5 DCBDHN CN1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001477128618 1017256524 /nfs/dbraw/zinc/25/65/24/1017256524.db2.gz ZMGKZBQFPTUPCY-SNVBAGLBSA-N 0 3 321.337 0.909 20 5 DCBDHN Nc1c(C(=O)N2CC(N[C@H]3CCOC3)C2)cc(F)cc1[N+](=O)[O-] ZINC001456298592 1010177382 /nfs/dbraw/zinc/17/73/82/1010177382.db2.gz ONJYCLKWMXYIQP-VIFPVBQESA-N 0 3 324.312 0.519 20 5 DCBDHN COc1cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001456302341 1010181402 /nfs/dbraw/zinc/18/14/02/1010181402.db2.gz VUONGDFFOPIBPZ-LLVKDONJSA-N 0 3 321.333 0.806 20 5 DCBDHN CC(C)[C@H]1CN(c2nnc(CCC[N+](=O)[O-])n2C)CCN1C ZINC001519566338 1017218480 /nfs/dbraw/zinc/21/84/80/1017218480.db2.gz NLPHLVZVUZDTMJ-GFCCVEGCSA-N 0 3 310.402 0.801 20 5 DCBDHN COC[C@@H](CO)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279634340 215021492 /nfs/dbraw/zinc/02/14/92/215021492.db2.gz CGQOAKURGKOHIP-ZYHUDNBSSA-N 0 3 311.338 0.909 20 5 DCBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@@H+]1CC(C)(C)O ZINC000286919795 219225445 /nfs/dbraw/zinc/22/54/45/219225445.db2.gz ZEMCRMNDLQCDTB-VIFPVBQESA-N 0 3 311.342 0.235 20 5 DCBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@H+]1CC(C)(C)O ZINC000286919795 219225446 /nfs/dbraw/zinc/22/54/46/219225446.db2.gz ZEMCRMNDLQCDTB-VIFPVBQESA-N 0 3 311.342 0.235 20 5 DCBDHN COCCN(C)CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180926675 199228884 /nfs/dbraw/zinc/22/88/84/199228884.db2.gz XOYYUEGERFQKNQ-UHFFFAOYSA-N 0 3 310.354 0.875 20 5 DCBDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000161462560 237093223 /nfs/dbraw/zinc/09/32/23/237093223.db2.gz KNVBKICGTLNKBG-LBPRGKRZSA-N 0 3 317.367 0.186 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(CO)c2)c1 ZINC000320160996 291257192 /nfs/dbraw/zinc/25/71/92/291257192.db2.gz IALQZIDILSRCBG-CQSZACIVSA-N 0 3 306.322 0.434 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H](O)C(F)F ZINC000566231448 291284785 /nfs/dbraw/zinc/28/47/85/291284785.db2.gz CADZPPMDXRXATE-SCZZXKLOSA-N 0 3 306.265 0.550 20 5 DCBDHN C[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000567122363 291338528 /nfs/dbraw/zinc/33/85/28/291338528.db2.gz FJOGDYHLPALNNW-SWHYSGLUSA-N 0 3 307.350 0.832 20 5 DCBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC000493813487 241162283 /nfs/dbraw/zinc/16/22/83/241162283.db2.gz CSVOELRGGKNHQB-QQHVMHFCSA-N 0 3 309.297 0.852 20 5 DCBDHN CCc1ccc(S(=O)(=O)N(C)CCNC)cc1[N+](=O)[O-] ZINC000567869074 291385951 /nfs/dbraw/zinc/38/59/51/291385951.db2.gz DWOZZKSZLVSZFI-UHFFFAOYSA-N 0 3 301.368 0.997 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCn2cncn2)c1 ZINC000568740659 291443493 /nfs/dbraw/zinc/44/34/93/291443493.db2.gz HDPLIOIURMKGAH-LBPRGKRZSA-N 0 3 307.310 0.216 20 5 DCBDHN CCc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000572349459 291562771 /nfs/dbraw/zinc/56/27/71/291562771.db2.gz SBBXWDNIUSRSNC-KBPBESRZSA-N 0 3 307.350 0.904 20 5 DCBDHN CN(C)[C@@]1(CNC(=O)c2c([N+](=O)[O-])cnn2C)CCSC1 ZINC000347427430 254155983 /nfs/dbraw/zinc/15/59/83/254155983.db2.gz LNBMXCBABCYNLE-GFCCVEGCSA-N 0 3 313.383 0.495 20 5 DCBDHN COc1ccc(CNC(=O)CCOC2CNC2)cc1[N+](=O)[O-] ZINC000349031826 254270700 /nfs/dbraw/zinc/27/07/00/254270700.db2.gz WERYXTKHTNNVBA-UHFFFAOYSA-N 0 3 309.322 0.598 20 5 DCBDHN CN(C)CC[C@@](C)(O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000352110158 254399662 /nfs/dbraw/zinc/39/96/62/254399662.db2.gz AJOZVPCPEGLYBT-CYBMUJFWSA-N 0 3 313.358 0.000 20 5 DCBDHN CN(CCNC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000056191940 395927811 /nfs/dbraw/zinc/92/78/11/395927811.db2.gz NOONJIJBXSRLGL-UHFFFAOYSA-N 0 3 318.337 0.435 20 5 DCBDHN Cn1ccnc1[C@H]1CNCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000261678727 396055375 /nfs/dbraw/zinc/05/53/75/396055375.db2.gz CUZYOIGJFIEZPO-GFCCVEGCSA-N 0 3 305.342 0.171 20 5 DCBDHN C[C@H](O)CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000249122839 396003153 /nfs/dbraw/zinc/00/31/53/396003153.db2.gz ZPHNVGWSRXTIKF-OLZOCXBDSA-N 0 3 324.381 0.143 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)[C@@H](O)C1 ZINC000278652651 396137438 /nfs/dbraw/zinc/13/74/38/396137438.db2.gz HKWWZCXPDXUJEW-BETUJISGSA-N 0 3 309.322 0.269 20 5 DCBDHN N[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000261880919 396075041 /nfs/dbraw/zinc/07/50/41/396075041.db2.gz UOUMEZXEWKYBQM-CQSZACIVSA-N 0 3 322.365 0.877 20 5 DCBDHN CCN1CCN(CCCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076268094 396200074 /nfs/dbraw/zinc/20/00/74/396200074.db2.gz YWZQGJNDYBALPH-UHFFFAOYSA-N 0 3 309.374 0.407 20 5 DCBDHN Cc1n[nH]c(C(=O)NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281823586 396242616 /nfs/dbraw/zinc/24/26/16/396242616.db2.gz RHQUIRKZNDSCBK-UHFFFAOYSA-N 0 3 324.385 0.382 20 5 DCBDHN COC(=O)c1cn(CCNCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000284085326 396344853 /nfs/dbraw/zinc/34/48/53/396344853.db2.gz RJTAOGPEHXYQCG-UHFFFAOYSA-N 0 3 305.294 0.763 20 5 DCBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@@H+]1C[C@H](C)O ZINC000286105729 396375433 /nfs/dbraw/zinc/37/54/33/396375433.db2.gz NJYQTQYHYNANNT-VHSXEESVSA-N 0 3 311.342 0.235 20 5 DCBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@H+]1C[C@H](C)O ZINC000286105729 396375435 /nfs/dbraw/zinc/37/54/35/396375435.db2.gz NJYQTQYHYNANNT-VHSXEESVSA-N 0 3 311.342 0.235 20 5 DCBDHN Cn1ccnc1[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000530410536 396577214 /nfs/dbraw/zinc/57/72/14/396577214.db2.gz KDNHPKBAGGKVKV-LBPRGKRZSA-N 0 3 317.349 0.980 20 5 DCBDHN O=C1C[C@H](CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CN1 ZINC000595374762 396597197 /nfs/dbraw/zinc/59/71/97/396597197.db2.gz JILBDJAIJXQRBO-WDEREUQCSA-N 0 3 305.338 0.612 20 5 DCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860771 396695500 /nfs/dbraw/zinc/69/55/00/396695500.db2.gz LGNNASHSUNDVQG-GJZGRUSLSA-N 0 3 319.361 0.805 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000588867076 396696854 /nfs/dbraw/zinc/69/68/54/396696854.db2.gz WERFPEOJCLHSKM-JTQLQIEISA-N 0 3 315.757 0.829 20 5 DCBDHN CN(CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CC1 ZINC000596088358 396715994 /nfs/dbraw/zinc/71/59/94/396715994.db2.gz OZTZADYMTYSXAC-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596121146 396719874 /nfs/dbraw/zinc/71/98/74/396719874.db2.gz LFDYJCDTNBUSRM-NSHDSACASA-N 0 3 308.338 0.826 20 5 DCBDHN CN(C)CCn1nccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000294199645 396659866 /nfs/dbraw/zinc/65/98/66/396659866.db2.gz UVOAEAJBKKWEBM-UHFFFAOYSA-N 0 3 307.314 0.188 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000590549662 396793655 /nfs/dbraw/zinc/79/36/55/396793655.db2.gz NIWNZRCVSVTASB-LLVKDONJSA-N 0 3 310.354 0.070 20 5 DCBDHN CC[C@@H](CN1CCCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000610881624 396775208 /nfs/dbraw/zinc/77/52/08/396775208.db2.gz MDXSVUXIOYFYIL-LBPRGKRZSA-N 0 3 324.385 0.965 20 5 DCBDHN C[C@@H]1OCC[C@@]1(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000618970402 397049994 /nfs/dbraw/zinc/04/99/94/397049994.db2.gz BWENMFVJKINQPU-ZUZCIYMTSA-N 0 3 324.333 0.996 20 5 DCBDHN CN1CC[C@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598593854 397254312 /nfs/dbraw/zinc/25/43/12/397254312.db2.gz XNMHMJXOBXAQEU-LLVKDONJSA-N 0 3 322.369 0.585 20 5 DCBDHN CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCN(C)C1 ZINC000592832195 397260466 /nfs/dbraw/zinc/26/04/66/397260466.db2.gz SUAUVWMGSLVCKX-LBPRGKRZSA-N 0 3 322.365 0.699 20 5 DCBDHN COc1ccc(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000578787549 397487003 /nfs/dbraw/zinc/48/70/03/397487003.db2.gz SCGFXEQGWBPVOI-NWDGAFQWSA-N 0 3 320.349 0.347 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCCN1CCN(C)CC1 ZINC000602797795 397487380 /nfs/dbraw/zinc/48/73/80/397487380.db2.gz KHTVVNCMORJDAY-UHFFFAOYSA-N 0 3 324.429 0.669 20 5 DCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@]1(O)CN2CCC1CC2 ZINC000578910965 397501866 /nfs/dbraw/zinc/50/18/66/397501866.db2.gz YUKYIJDRYUMULD-INIZCTEOSA-N 0 3 319.361 0.710 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1O ZINC000579971015 397601799 /nfs/dbraw/zinc/60/17/99/397601799.db2.gz RMUSUJIKEICFKQ-QWRGUYRKSA-N 0 3 323.305 0.070 20 5 DCBDHN Cn1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000604558620 397643680 /nfs/dbraw/zinc/64/36/80/397643680.db2.gz JHBSYHUOBMJURW-CYBMUJFWSA-N 0 3 306.322 0.858 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000610447936 397821953 /nfs/dbraw/zinc/82/19/53/397821953.db2.gz WGSGYZQKXCBRGB-HNNXBMFYSA-N 0 3 323.397 0.978 20 5 DCBDHN COCCN(C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000067273315 158039088 /nfs/dbraw/zinc/03/90/88/158039088.db2.gz WMKVMLFOCMSPMQ-UHFFFAOYSA-N 0 3 310.354 0.701 20 5 DCBDHN C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCC(C)CC1 ZINC000124289780 158239855 /nfs/dbraw/zinc/23/98/55/158239855.db2.gz CQFJXKWTTQGZRJ-LLVKDONJSA-N 0 3 310.358 0.423 20 5 DCBDHN CC[C@](C)(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000133556900 158320390 /nfs/dbraw/zinc/32/03/90/158320390.db2.gz GGGKEAIKWIKQPZ-RISCZKNCSA-N 0 3 311.338 0.578 20 5 DCBDHN CO[C@H](CN)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290120780 415766511 /nfs/dbraw/zinc/76/65/11/415766511.db2.gz ZJOTUPALAFGPSS-CQSZACIVSA-N 0 3 323.349 0.938 20 5 DCBDHN CCCc1n[nH]c(C(=O)NC[C@@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000153325834 415978849 /nfs/dbraw/zinc/97/88/49/415978849.db2.gz YCKSBGDSOAELFG-CYBMUJFWSA-N 0 3 313.358 0.313 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000338540864 416107750 /nfs/dbraw/zinc/10/77/50/416107750.db2.gz RUVKVEDIUPKPAJ-OAHLLOKOSA-N 0 3 323.349 0.790 20 5 DCBDHN C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1CC(C)(C)O ZINC000331288010 416302130 /nfs/dbraw/zinc/30/21/30/416302130.db2.gz IFTWCPJSCQBMPA-NSHDSACASA-N 0 3 311.386 0.605 20 5 DCBDHN CN(C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000193892434 416319967 /nfs/dbraw/zinc/31/99/67/416319967.db2.gz LIBDPEHXMRKVEK-LBPRGKRZSA-N 0 3 318.337 0.605 20 5 DCBDHN CN(C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000193892452 416320373 /nfs/dbraw/zinc/32/03/73/416320373.db2.gz LIBDPEHXMRKVEK-GFCCVEGCSA-N 0 3 318.337 0.605 20 5 DCBDHN CN(C)C1(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000419807101 416413606 /nfs/dbraw/zinc/41/36/06/416413606.db2.gz FXLRQIONLPTBPZ-UHFFFAOYSA-N 0 3 324.312 0.883 20 5 DCBDHN O=[N+]([O-])c1ccc(-c2noc(NC[C@H]3CNCCO3)n2)cc1 ZINC000420276776 416417946 /nfs/dbraw/zinc/41/79/46/416417946.db2.gz HGMKHSWDAMBVLS-LLVKDONJSA-N 0 3 305.294 1.045 20 5 DCBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1(C(N)=O)CC1 ZINC000361585424 416456162 /nfs/dbraw/zinc/45/61/62/416456162.db2.gz IHIRMERBNXALEA-VIFPVBQESA-N 0 3 306.322 0.919 20 5 DCBDHN COC(=O)c1cc(C(=O)NC[C@@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC000423983610 416599069 /nfs/dbraw/zinc/59/90/69/416599069.db2.gz AMLGIOJVAOGBMF-LBPRGKRZSA-N 0 3 323.305 0.100 20 5 DCBDHN COc1cc(C(=O)NC[C@H]2CNCCO2)cc([N+](=O)[O-])c1C ZINC000424007850 416604110 /nfs/dbraw/zinc/60/41/10/416604110.db2.gz VMLJEFCFNHZUAS-LLVKDONJSA-N 0 3 309.322 0.630 20 5 DCBDHN CCN(CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000439073884 416606657 /nfs/dbraw/zinc/60/66/57/416606657.db2.gz CPIOSGIJSQWCOD-UHFFFAOYSA-N 0 3 308.338 0.357 20 5 DCBDHN NC[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423891738 416581628 /nfs/dbraw/zinc/58/16/28/416581628.db2.gz BTOAXFFKCCPUMF-CYBMUJFWSA-N 0 3 303.322 0.650 20 5 DCBDHN CC(C)N1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000373392432 416956116 /nfs/dbraw/zinc/95/61/16/416956116.db2.gz LYKARURZVKDEAL-CYBMUJFWSA-N 0 3 320.397 0.990 20 5 DCBDHN CNc1nccc(C(=O)NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000568781624 417178284 /nfs/dbraw/zinc/17/82/84/417178284.db2.gz ORNZZUXQDYSDGH-UHFFFAOYSA-N 0 3 321.381 1.493 20 5 DCBDHN O=C1CNC(=O)N1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569744160 417288755 /nfs/dbraw/zinc/28/87/55/417288755.db2.gz RSVYLJKBBSSVFM-NSHDSACASA-N 0 3 304.306 0.724 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCSC[C@@H]2C2CC2)c1 ZINC000576467312 417611951 /nfs/dbraw/zinc/61/19/51/417611951.db2.gz WQAXXCSQZORCSC-CHWSQXEVSA-N 0 3 312.395 0.980 20 5 DCBDHN CN(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298073292 227828331 /nfs/dbraw/zinc/82/83/31/227828331.db2.gz JQVPGXQLRWZVMY-UHFFFAOYSA-N 0 3 314.729 0.865 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000358065580 261625196 /nfs/dbraw/zinc/62/51/96/261625196.db2.gz LWRMSJWOJLNFPY-AWEZNQCLSA-N 0 3 309.322 0.400 20 5 DCBDHN C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000419121483 262310359 /nfs/dbraw/zinc/31/03/59/262310359.db2.gz ASLBYRQBOWFWIX-WDEREUQCSA-N 0 3 320.349 0.722 20 5 DCBDHN C[C@H](NC(=O)C(=O)N1CCCNCC1)c1ccccc1[N+](=O)[O-] ZINC000419152982 262313702 /nfs/dbraw/zinc/31/37/02/262313702.db2.gz PEAKUJRNSVOPDE-NSHDSACASA-N 0 3 320.349 0.594 20 5 DCBDHN NC[C@@H]1CCCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419033438 271270012 /nfs/dbraw/zinc/27/00/12/271270012.db2.gz CEXVJVJOKNAWAQ-LBPRGKRZSA-N 0 3 320.349 0.203 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000493191752 272174687 /nfs/dbraw/zinc/17/46/87/272174687.db2.gz CKFRPFPWYCGUPQ-SWICKSTGSA-N 0 3 305.334 0.741 20 5 DCBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547764226 288076745 /nfs/dbraw/zinc/07/67/45/288076745.db2.gz JALAMVPPVQDYNX-NSHDSACASA-N 0 3 324.385 0.321 20 5 DCBDHN CN1CC[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000564724200 288762423 /nfs/dbraw/zinc/76/24/23/288762423.db2.gz ZAHFZSIOZIEBLM-MNOVXSKESA-N 0 3 309.322 0.155 20 5 DCBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290822602 300220272 /nfs/dbraw/zinc/22/02/72/300220272.db2.gz STUATXDBNKFUDL-GXSJLCMTSA-N 0 3 307.354 0.865 20 5 DCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000583619233 335830854 /nfs/dbraw/zinc/83/08/54/335830854.db2.gz CLXMTDBZIAAGGB-HNNXBMFYSA-N 0 3 320.349 0.485 20 5 DCBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)COc2ccccc2)c1 ZINC000576749136 341861431 /nfs/dbraw/zinc/86/14/31/341861431.db2.gz NDKMPGQTFAJHIV-ZDUSSCGKSA-N 0 3 306.322 0.821 20 5 DCBDHN Cc1nn(C)cc1CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981136672 661085038 /nfs/dbraw/zinc/08/50/38/661085038.db2.gz DKLFJYJBDUPPDC-ZIAGYGMSSA-N 0 3 321.381 0.428 20 5 DCBDHN CC(C)C(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC000983186636 661778004 /nfs/dbraw/zinc/77/80/04/661778004.db2.gz WWDOHIZWKPBBJB-XYPYZODXSA-N 0 3 309.370 0.969 20 5 DCBDHN CN1CCOC[C@@]1(CO)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903277217 663451390 /nfs/dbraw/zinc/45/13/90/663451390.db2.gz FCBIPFAMAGGUEV-ZBFHGGJFSA-N 0 3 321.377 0.865 20 5 DCBDHN CN(CCO)CCN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000912612475 664196015 /nfs/dbraw/zinc/19/60/15/664196015.db2.gz QCOMRNZRLSIZKM-VMPITWQZSA-N 0 3 307.350 0.991 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912919692 664245310 /nfs/dbraw/zinc/24/53/10/664245310.db2.gz MUWNJLZEDCWOFQ-GFCCVEGCSA-N 0 3 307.354 0.796 20 5 DCBDHN COc1ccc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001031662103 665273629 /nfs/dbraw/zinc/27/36/29/665273629.db2.gz VARCAVSBDMOMOC-HUUCEWRRSA-N 0 3 319.361 0.908 20 5 DCBDHN Cc1ncoc1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002789067 666219625 /nfs/dbraw/zinc/21/96/25/666219625.db2.gz RTODKVRGPFCOPA-VXGBXAGGSA-N 0 3 308.338 0.729 20 5 DCBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000861345411 666920285 /nfs/dbraw/zinc/92/02/85/666920285.db2.gz TZNXCEBKFKRRRJ-ZWNOBZJWSA-N 0 3 312.326 0.444 20 5 DCBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000861344915 666920679 /nfs/dbraw/zinc/92/06/79/666920679.db2.gz VVOOCRLFQMILIE-YPMHNXCESA-N 0 3 312.326 0.444 20 5 DCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3OCCN[C@H]3C2)c1 ZINC000923385015 667522266 /nfs/dbraw/zinc/52/22/66/667522266.db2.gz SGHLPYPACKYNOL-ZNMIVQPWSA-N 0 3 307.350 0.691 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782615823 669111570 /nfs/dbraw/zinc/11/15/70/669111570.db2.gz GXMFFORZOHIDIK-KYOSRNDESA-N 0 3 308.334 0.649 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801950633 670146841 /nfs/dbraw/zinc/14/68/41/670146841.db2.gz YAGWFASKTIZANE-ZDUSSCGKSA-N 0 3 312.301 0.113 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)CN1CCCC1 ZINC000808217352 670399789 /nfs/dbraw/zinc/39/97/89/670399789.db2.gz BEVHPMNIKKZBMW-JTQLQIEISA-N 0 3 308.338 0.364 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000854467872 670573194 /nfs/dbraw/zinc/57/31/94/670573194.db2.gz ZTJRXBVEJAYWPF-SECBINFHSA-N 0 3 315.301 0.151 20 5 DCBDHN CC(COC(=O)CNC(=O)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813100415 670610601 /nfs/dbraw/zinc/61/06/01/670610601.db2.gz RYFYDRIRRBWCJQ-MRVPVSSYSA-N 0 3 310.262 0.354 20 5 DCBDHN CC(COC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)[N+](=O)[O-] ZINC000813109011 670611816 /nfs/dbraw/zinc/61/18/16/670611816.db2.gz NLNLWWCDTCKGAO-RKDXNWHRSA-N 0 3 313.310 0.448 20 5 DCBDHN O=C([N-][C@@H]1[C@H]2C[NH2+]C[C@H]21)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764050 670945720 /nfs/dbraw/zinc/94/57/20/670945720.db2.gz FWFJEMHHYYMMPJ-URLYPYJESA-N 0 3 313.260 0.900 20 5 DCBDHN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)OCC(C)[N+](=O)[O-] ZINC000851036941 670963229 /nfs/dbraw/zinc/96/32/29/670963229.db2.gz OBCHLBSEHXTBPL-PSASIEDQSA-N 0 3 308.356 0.301 20 5 DCBDHN O=C1OC[C@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000860165535 671186146 /nfs/dbraw/zinc/18/61/46/671186146.db2.gz XJCXBTDAHHNFIK-GRYCIOLGSA-N 0 3 322.317 0.439 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001580009739 1165472096 /nfs/dbraw/zinc/47/20/96/1165472096.db2.gz ZITGKZXNAABCSY-LBPRGKRZSA-N 0 3 315.333 0.773 20 5 DCBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001580622438 1165663316 /nfs/dbraw/zinc/66/33/16/1165663316.db2.gz GHACWUIQTVNGHC-VIFPVBQESA-N 0 3 321.289 0.184 20 5 DCBDHN CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[NH2+]1 ZINC001590569474 1166947140 /nfs/dbraw/zinc/94/71/40/1166947140.db2.gz SBMMKKISYKKQJP-VIFPVBQESA-N 0 3 318.341 0.748 20 5 DCBDHN CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[NH2+]1 ZINC001590569474 1166947144 /nfs/dbraw/zinc/94/71/44/1166947144.db2.gz SBMMKKISYKKQJP-VIFPVBQESA-N 0 3 318.341 0.748 20 5 DCBDHN C[NH+](C)C[C@H](O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604680937 1169654912 /nfs/dbraw/zinc/65/49/12/1169654912.db2.gz RPUSUVQKPRKLOV-SECBINFHSA-N 0 3 307.314 0.109 20 5 DCBDHN C[NH+](C)C[C@H](O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604680937 1169654914 /nfs/dbraw/zinc/65/49/14/1169654914.db2.gz RPUSUVQKPRKLOV-SECBINFHSA-N 0 3 307.314 0.109 20 5 DCBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C[NH+](C)C ZINC001609113875 1170812823 /nfs/dbraw/zinc/81/28/23/1170812823.db2.gz KNSWPNRTGNUTSA-QMMMGPOBSA-N 0 3 306.330 0.780 20 5 DCBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C[NH+](C)C ZINC001609113875 1170812832 /nfs/dbraw/zinc/81/28/32/1170812832.db2.gz KNSWPNRTGNUTSA-QMMMGPOBSA-N 0 3 306.330 0.780 20 5 DCBDHN COCCN(CCN(C)C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001633185778 1171635419 /nfs/dbraw/zinc/63/54/19/1171635419.db2.gz FTZBJUMXDKKVRR-UHFFFAOYSA-N 0 3 311.342 0.222 20 5 DCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(N[C@H]3CCOC3)C2)n1 ZINC001635941673 1171718319 /nfs/dbraw/zinc/71/83/19/1171718319.db2.gz NGLDJORERHYYSC-VIFPVBQESA-N 0 3 309.326 0.014 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3cnccn3)C2)c1 ZINC001655712531 1173826044 /nfs/dbraw/zinc/82/60/44/1173826044.db2.gz HJMVMCIWFGQPDK-AAEUAGOBSA-N 0 3 318.337 0.432 20 5 DCBDHN NC(=O)C(=O)NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001752276798 1188410959 /nfs/dbraw/zinc/41/09/59/1188410959.db2.gz BHYLKMANWJVOHH-UHFFFAOYSA-N 0 3 320.349 0.551 20 5 DCBDHN Cc1cc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1C ZINC001754118590 1188748760 /nfs/dbraw/zinc/74/87/60/1188748760.db2.gz BMDXQSWABDUANG-CDJBXZAQSA-N 0 3 307.354 0.156 20 5 DCBDHN O=C(CN1CCCC1=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123335490 767965835 /nfs/dbraw/zinc/96/58/35/767965835.db2.gz UHJGTGGJKWFTFK-UHFFFAOYSA-N 0 3 320.349 0.423 20 5 DCBDHN CC(=O)N1CCc2cc(-n3nncc3CN)cc([N+](=O)[O-])c21 ZINC001169312089 760631127 /nfs/dbraw/zinc/63/11/27/760631127.db2.gz LTUWFEKAUDECDW-UHFFFAOYSA-N 0 3 302.294 0.543 20 5 DCBDHN O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC001093769177 768719618 /nfs/dbraw/zinc/71/96/18/768719618.db2.gz XVQKBJXJGAZNPL-UHFFFAOYSA-N 0 3 321.337 0.319 20 5 DCBDHN O=C(CN1CCCC1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001151113915 769265436 /nfs/dbraw/zinc/26/54/36/769265436.db2.gz AZIFTPREJJNAMH-UHFFFAOYSA-N 0 3 312.395 0.958 20 5 DCBDHN COC(=O)c1nc(Cl)nc(-n2nccc2CN)c1[N+](=O)[O-] ZINC001155123901 770406348 /nfs/dbraw/zinc/40/63/48/770406348.db2.gz NFDALZMLNMEVFV-UHFFFAOYSA-N 0 3 312.673 0.469 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CNCCO2)n1 ZINC001159503346 771920938 /nfs/dbraw/zinc/92/09/38/771920938.db2.gz WMKBYSMYJARKQL-KCJUWKMLSA-N 0 3 310.310 0.565 20 5 DCBDHN C[C@@H](Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159501760 771921091 /nfs/dbraw/zinc/92/10/91/771921091.db2.gz XJGSWHFIGZYDNY-VXNVDRBHSA-N 0 3 302.718 0.670 20 5 DCBDHN CCc1nocc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001269411267 940701476 /nfs/dbraw/zinc/70/14/76/940701476.db2.gz AEVQWQUCMPLTNK-ZYHUDNBSSA-N 0 3 308.338 0.641 20 5 DCBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCOCC1 ZINC001254580729 946411649 /nfs/dbraw/zinc/41/16/49/946411649.db2.gz DZNMLFIKZHMBCS-CYBMUJFWSA-N 0 3 305.334 0.510 20 5 DCBDHN Cn1c(CCC[N+](=O)[O-])nnc1N1CCN(C(C)(C)C)CC1 ZINC001262860365 947779339 /nfs/dbraw/zinc/77/93/39/947779339.db2.gz QVRSAEGPMYDSFY-UHFFFAOYSA-N 0 3 310.402 0.945 20 5 DCBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)C(F)F ZINC001275825328 952480495 /nfs/dbraw/zinc/48/04/95/952480495.db2.gz SNWBBUXLLJUSAR-UHFFFAOYSA-N 0 3 305.285 0.532 20 5 DCBDHN CN(C)CCN(C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001344963030 953569413 /nfs/dbraw/zinc/56/94/13/953569413.db2.gz SOBPXJGOYYTJDV-UHFFFAOYSA-N 0 3 308.338 0.231 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3nnc[nH]3)CC2)c1 ZINC001354498013 956408709 /nfs/dbraw/zinc/40/87/09/956408709.db2.gz DRWKGWVHSNJAOB-LBPRGKRZSA-N 0 3 321.341 0.150 20 5 DCBDHN COC(=O)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)n1C ZINC001308316142 960173603 /nfs/dbraw/zinc/17/36/03/960173603.db2.gz CUNDVFZEISCUTH-UHFFFAOYSA-N 0 3 307.310 0.706 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3ncccn3)C2)c1 ZINC001460853408 1012980226 /nfs/dbraw/zinc/98/02/26/1012980226.db2.gz BXIFZVKUQZQIIY-WCQYABFASA-N 0 3 318.337 0.432 20 5 DCBDHN NC(=O)C1(NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000347788831 283281677 /nfs/dbraw/zinc/28/16/77/283281677.db2.gz RDNQZVYXINGBRF-UHFFFAOYSA-N 0 3 320.305 0.500 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H](O)C(F)F ZINC000566231449 291285242 /nfs/dbraw/zinc/28/52/42/291285242.db2.gz CADZPPMDXRXATE-WCBMZHEXSA-N 0 3 306.265 0.550 20 5 DCBDHN Cc1c(CNC(=O)N2CCN(C)C[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000566728039 291320129 /nfs/dbraw/zinc/32/01/29/291320129.db2.gz GPUHGERYYRDADO-ZDUSSCGKSA-N 0 3 321.381 0.688 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCN3CCOCC3)C2)nc1 ZINC000340694064 253292173 /nfs/dbraw/zinc/29/21/73/253292173.db2.gz AGEUUBOTLOTSLK-CYBMUJFWSA-N 0 3 321.381 0.808 20 5 DCBDHN COCCN1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000340999950 253334302 /nfs/dbraw/zinc/33/43/02/253334302.db2.gz XUEUBWBQEGKIAY-LBPRGKRZSA-N 0 3 322.365 0.844 20 5 DCBDHN CN1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272962855 210348088 /nfs/dbraw/zinc/34/80/88/210348088.db2.gz STLJFVHCVAGOOM-CYBMUJFWSA-N 0 3 309.366 0.972 20 5 DCBDHN CO[C@H](CN)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289559339 221066738 /nfs/dbraw/zinc/06/67/38/221066738.db2.gz KXMGTTIWDSROCP-CYBMUJFWSA-N 0 3 308.338 0.217 20 5 DCBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000046947736 395782967 /nfs/dbraw/zinc/78/29/67/395782967.db2.gz RQVRGVSWWCVPEX-NSHDSACASA-N 0 3 309.370 0.679 20 5 DCBDHN CS[C@@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270795314 395809412 /nfs/dbraw/zinc/80/94/12/395809412.db2.gz VSXOTQLWWSXOHO-RKDXNWHRSA-N 0 3 313.383 0.744 20 5 DCBDHN CS[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270795314 395809417 /nfs/dbraw/zinc/80/94/17/395809417.db2.gz VSXOTQLWWSXOHO-RKDXNWHRSA-N 0 3 313.383 0.744 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000123208285 395892712 /nfs/dbraw/zinc/89/27/12/395892712.db2.gz WTDHSWNZJAYSAN-HNNXBMFYSA-N 0 3 324.381 0.749 20 5 DCBDHN COCCN1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000138630775 395952213 /nfs/dbraw/zinc/95/22/13/395952213.db2.gz CVDKWKFHJALYFT-UHFFFAOYSA-N 0 3 311.342 0.018 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCC(C)CC1 ZINC000068203125 396049094 /nfs/dbraw/zinc/04/90/94/396049094.db2.gz VTEMIEDYNGLIEU-UHFFFAOYSA-N 0 3 309.370 0.948 20 5 DCBDHN CNCCN(C)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000070303828 396101472 /nfs/dbraw/zinc/10/14/72/396101472.db2.gz ZZCDQQRTKIFDJJ-UHFFFAOYSA-N 0 3 303.340 0.443 20 5 DCBDHN O=C(CCN1C[C@@H](O)[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000278963625 396143142 /nfs/dbraw/zinc/14/31/42/396143142.db2.gz ZTKLCQSRLHFYPX-VXGBXAGGSA-N 0 3 313.285 0.100 20 5 DCBDHN Cc1c(NC(=O)CCN2C[C@H](O)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000278637980 396136300 /nfs/dbraw/zinc/13/63/00/396136300.db2.gz GTTGEIAZXHFHLH-STQMWFEESA-N 0 3 309.322 0.269 20 5 DCBDHN Cc1c(NC(=O)CCN2C[C@@H](O)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000278637970 396136352 /nfs/dbraw/zinc/13/63/52/396136352.db2.gz GTTGEIAZXHFHLH-CHWSQXEVSA-N 0 3 309.322 0.269 20 5 DCBDHN CN1CCC(O)(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000080880919 396287689 /nfs/dbraw/zinc/28/76/89/396287689.db2.gz FVOGPSZMGUOEMO-UHFFFAOYSA-N 0 3 307.350 0.710 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(CCO)CCCO)c1 ZINC000264646442 396299045 /nfs/dbraw/zinc/29/90/45/396299045.db2.gz WYYWMDALZZKBBE-CYBMUJFWSA-N 0 3 314.338 0.011 20 5 DCBDHN O=C([C@H]1C[C@H](F)CN1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000188777243 396385796 /nfs/dbraw/zinc/38/57/96/396385796.db2.gz BDCKSGLDGJEABG-HOSYDEDBSA-N 0 3 323.328 0.703 20 5 DCBDHN C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000286382051 396391909 /nfs/dbraw/zinc/39/19/09/396391909.db2.gz KOAGKHNFRKTIEG-QMMMGPOBSA-N 0 3 302.356 0.604 20 5 DCBDHN COCCCN(C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290815803 396473217 /nfs/dbraw/zinc/47/32/17/396473217.db2.gz RUBIIUYYVJALQN-UHFFFAOYSA-N 0 3 311.342 0.469 20 5 DCBDHN O=C1CC[C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]2N1 ZINC000595729890 396652754 /nfs/dbraw/zinc/65/27/54/396652754.db2.gz WEXZYUTZODICTK-WCQYABFASA-N 0 3 320.349 0.357 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000588866499 396696917 /nfs/dbraw/zinc/69/69/17/396696917.db2.gz KILWHNBKUPFFKF-JTQLQIEISA-N 0 3 318.333 0.795 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000588863871 396697121 /nfs/dbraw/zinc/69/71/21/396697121.db2.gz ZDAMTKYKEBCBQG-VIFPVBQESA-N 0 3 301.730 0.901 20 5 DCBDHN C[C@@](O)(CNCc1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000304287428 396728626 /nfs/dbraw/zinc/72/86/26/396728626.db2.gz FYRSLZXMMUGFCA-OAHLLOKOSA-N 0 3 309.366 0.768 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000611100908 396816445 /nfs/dbraw/zinc/81/64/45/396816445.db2.gz PXQCRMLBKCIJRM-LLVKDONJSA-N 0 3 322.369 0.247 20 5 DCBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1COCCN1 ZINC000600678703 396915822 /nfs/dbraw/zinc/91/58/22/396915822.db2.gz SSSLSEGYSWQPDQ-DGCLKSJQSA-N 0 3 322.365 0.890 20 5 DCBDHN CCN1CC[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000591765969 397000418 /nfs/dbraw/zinc/00/04/18/397000418.db2.gz XHQMZFYCASAGQB-RYUDHWBXSA-N 0 3 323.349 0.545 20 5 DCBDHN CN(CC(=O)N1CCN(C)C[C@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000573001716 397124308 /nfs/dbraw/zinc/12/43/08/397124308.db2.gz WFGCJYMDLVAOIJ-GFCCVEGCSA-N 0 3 321.381 0.132 20 5 DCBDHN CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCN(C)C1 ZINC000592832194 397260312 /nfs/dbraw/zinc/26/03/12/397260312.db2.gz SUAUVWMGSLVCKX-GFCCVEGCSA-N 0 3 322.365 0.699 20 5 DCBDHN Cn1cnc(CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000578640302 397464618 /nfs/dbraw/zinc/46/46/18/397464618.db2.gz RYKOEFFECROWEF-UHFFFAOYSA-N 0 3 318.337 0.884 20 5 DCBDHN Cc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000579006566 397515043 /nfs/dbraw/zinc/51/50/43/397515043.db2.gz ONWCCJFJMCWEBC-PWSUYJOCSA-N 0 3 318.333 0.287 20 5 DCBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000367908555 159364354 /nfs/dbraw/zinc/36/43/54/159364354.db2.gz VWACOKJURKVNQG-QWRGUYRKSA-N 0 3 321.337 0.396 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC000368273358 159384680 /nfs/dbraw/zinc/38/46/80/159384680.db2.gz QFDGYMCPUDPGIW-HIFRSBDPSA-N 0 3 324.381 0.901 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000268146257 415166383 /nfs/dbraw/zinc/16/63/83/415166383.db2.gz FDDQZUNDVIHAED-GWCFXTLKSA-N 0 3 320.349 0.355 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000268235251 415183588 /nfs/dbraw/zinc/18/35/88/415183588.db2.gz NWOWYESAALVYBY-BXKDBHETSA-N 0 3 307.354 0.699 20 5 DCBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000344643680 415964506 /nfs/dbraw/zinc/96/45/06/415964506.db2.gz NDFKODRRKJTQKK-SNVBAGLBSA-N 0 3 310.358 0.423 20 5 DCBDHN Cc1cc(C(=O)NC[C@](C)(O)CN(C)C)c(N)c([N+](=O)[O-])c1 ZINC000152667741 415967596 /nfs/dbraw/zinc/96/75/96/415967596.db2.gz AXBHIKRDHGTMTL-AWEZNQCLSA-N 0 3 310.354 0.528 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000298614856 416018449 /nfs/dbraw/zinc/01/84/49/416018449.db2.gz YLCSPRSNFNNXGV-SNVBAGLBSA-N 0 3 308.338 0.908 20 5 DCBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000170692631 416028612 /nfs/dbraw/zinc/02/86/12/416028612.db2.gz VWWGZGGKUDHQCS-UHFFFAOYSA-N 0 3 321.381 0.496 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000174875719 416088625 /nfs/dbraw/zinc/08/86/25/416088625.db2.gz NZMNXVMMKZXNHY-CYBMUJFWSA-N 0 3 309.370 0.445 20 5 DCBDHN COC(=O)c1cnc(NC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000357687367 416115947 /nfs/dbraw/zinc/11/59/47/416115947.db2.gz VWEZQBKISXGPKT-CYBMUJFWSA-N 0 3 310.310 0.255 20 5 DCBDHN C[N@@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000416498073 416372316 /nfs/dbraw/zinc/37/23/16/416372316.db2.gz VZJPJHJWUFOMNP-VIFPVBQESA-N 0 3 317.342 0.964 20 5 DCBDHN C[N@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000416498073 416372317 /nfs/dbraw/zinc/37/23/17/416372317.db2.gz VZJPJHJWUFOMNP-VIFPVBQESA-N 0 3 317.342 0.964 20 5 DCBDHN CCN1CCN([C@@H](C)CNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596078177 416576104 /nfs/dbraw/zinc/57/61/04/416576104.db2.gz MWJONXJHYODXDR-NSHDSACASA-N 0 3 308.386 1.010 20 5 DCBDHN COCC(C)(C)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000425503012 416713260 /nfs/dbraw/zinc/71/32/60/416713260.db2.gz HZGZVXGZHJGMIH-UHFFFAOYSA-N 0 3 311.386 0.834 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516937927 416760744 /nfs/dbraw/zinc/76/07/44/416760744.db2.gz GTDGZHKZRCKHCW-UONOGXRCSA-N 0 3 304.350 0.647 20 5 DCBDHN CC1CCN(C[C@H](O)CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000443505982 416763005 /nfs/dbraw/zinc/76/30/05/416763005.db2.gz BFWVFLHEAYSOMB-SNVBAGLBSA-N 0 3 300.384 1.556 20 5 DCBDHN COc1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000565434365 416979299 /nfs/dbraw/zinc/97/92/99/416979299.db2.gz ZGAJTJYXMINRJZ-WDEREUQCSA-N 0 3 306.322 0.352 20 5 DCBDHN CNc1nccc(C(=O)N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000568899157 417194914 /nfs/dbraw/zinc/19/49/14/417194914.db2.gz PAYVEDXEPNOVLH-NSHDSACASA-N 0 3 319.365 1.342 20 5 DCBDHN COC(=O)Cc1ccc(NC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000450439927 417226203 /nfs/dbraw/zinc/22/62/03/417226203.db2.gz PCDSSSYRUHOXMZ-OAHLLOKOSA-N 0 3 323.349 0.789 20 5 DCBDHN CCn1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1=O ZINC000569448820 417253791 /nfs/dbraw/zinc/25/37/91/417253791.db2.gz BULYYNJQJWLTAX-CYBMUJFWSA-N 0 3 321.337 0.124 20 5 DCBDHN CCOc1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000571209283 417435277 /nfs/dbraw/zinc/43/52/77/417435277.db2.gz YQIHOMCFFWZXIF-GFCCVEGCSA-N 0 3 322.365 0.708 20 5 DCBDHN CNc1nccc(C(=O)NC[C@@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000572132634 417455559 /nfs/dbraw/zinc/45/55/59/417455559.db2.gz KAUSBZFKIJYGDK-SNVBAGLBSA-N 0 3 307.354 1.246 20 5 DCBDHN CCN(CCO)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192904395 261139639 /nfs/dbraw/zinc/13/96/39/261139639.db2.gz QOAMDDDDRDFWCG-UHFFFAOYSA-N 0 3 311.338 0.647 20 5 DCBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000368047967 262144740 /nfs/dbraw/zinc/14/47/40/262144740.db2.gz WAIBIXLOTVKTAI-IUCAKERBSA-N 0 3 312.257 0.933 20 5 DCBDHN CN(C)C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000417163393 262246647 /nfs/dbraw/zinc/24/66/47/262246647.db2.gz SIWIAANINWQLQQ-UHFFFAOYSA-N 0 3 306.322 0.744 20 5 DCBDHN C[C@H](NC(=O)C(=O)N(C)[C@@H](C)CN)c1ccccc1[N+](=O)[O-] ZINC000419133663 262312425 /nfs/dbraw/zinc/31/24/25/262312425.db2.gz GGLNLVWJCXEZGV-UWVGGRQHSA-N 0 3 308.338 0.578 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOCC3(CCC3)C2)c1 ZINC000363886166 271207198 /nfs/dbraw/zinc/20/71/98/271207198.db2.gz JQWPSGGFRRFUFX-ZDUSSCGKSA-N 0 3 310.354 0.655 20 5 DCBDHN CNCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000440848918 271659550 /nfs/dbraw/zinc/65/95/50/271659550.db2.gz XAEBLOGLQMYRAZ-UHFFFAOYSA-N 0 3 303.340 0.443 20 5 DCBDHN COC(=O)N1CC(NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000496219364 272300579 /nfs/dbraw/zinc/30/05/79/272300579.db2.gz RBOOWAAFRINWGK-UHFFFAOYSA-N 0 3 322.321 0.964 20 5 DCBDHN CN1CCN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1(C)C ZINC000549372494 288197422 /nfs/dbraw/zinc/19/74/22/288197422.db2.gz SZRVNGHKFAIRSY-UHFFFAOYSA-N 0 3 310.358 0.074 20 5 DCBDHN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000552309584 288272072 /nfs/dbraw/zinc/27/20/72/288272072.db2.gz OPXJGXNDMASINX-SNVBAGLBSA-N 0 3 308.338 0.391 20 5 DCBDHN C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086471329 297079573 /nfs/dbraw/zinc/07/95/73/297079573.db2.gz ZBDYVYHRKRUHKL-BDAKNGLRSA-N 0 3 314.367 0.429 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000570833148 332825437 /nfs/dbraw/zinc/82/54/37/332825437.db2.gz KCPTZCHGYKBQPV-LLVKDONJSA-N 0 3 322.365 0.699 20 5 DCBDHN C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736848972 598501949 /nfs/dbraw/zinc/50/19/49/598501949.db2.gz PVVFLEHONQNMCB-MRVPVSSYSA-N 0 3 304.314 0.534 20 5 DCBDHN C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736848972 598501950 /nfs/dbraw/zinc/50/19/50/598501950.db2.gz PVVFLEHONQNMCB-MRVPVSSYSA-N 0 3 304.314 0.534 20 5 DCBDHN C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736848972 598501951 /nfs/dbraw/zinc/50/19/51/598501951.db2.gz PVVFLEHONQNMCB-MRVPVSSYSA-N 0 3 304.314 0.534 20 5 DCBDHN C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736848972 598501952 /nfs/dbraw/zinc/50/19/52/598501952.db2.gz PVVFLEHONQNMCB-MRVPVSSYSA-N 0 3 304.314 0.534 20 5 DCBDHN Cc1ccnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001022063566 658818928 /nfs/dbraw/zinc/81/89/28/658818928.db2.gz DKKOQDAASSQAHP-WRWGMCAJSA-N 0 3 305.338 0.187 20 5 DCBDHN CC(C)n1ncnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063426 658819676 /nfs/dbraw/zinc/81/96/76/658819676.db2.gz BJDHSVXDIRRUJJ-WRWGMCAJSA-N 0 3 322.369 0.261 20 5 DCBDHN CC(COC(=O)Cn1cc(Br)ccc1=O)[N+](=O)[O-] ZINC000813114444 658860793 /nfs/dbraw/zinc/86/07/93/658860793.db2.gz BFAWECQWTLLSHI-ZETCQYMHSA-N 0 3 319.111 0.819 20 5 DCBDHN Cc1nocc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775455 659557499 /nfs/dbraw/zinc/55/74/99/659557499.db2.gz BOLZGWFSUPLQHH-LBELIVKGSA-N 0 3 306.322 0.195 20 5 DCBDHN CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(C)C1 ZINC000893753750 661404730 /nfs/dbraw/zinc/40/47/30/661404730.db2.gz TWQIDVMNZHESRS-LLVKDONJSA-N 0 3 310.358 0.527 20 5 DCBDHN O=C1OC[C@]2(CNCc3cccc([N+](=O)[O-])c3)COCCN12 ZINC000865770009 667345481 /nfs/dbraw/zinc/34/54/81/667345481.db2.gz ZJJIODRLNYDUFE-AWEZNQCLSA-N 0 3 307.306 0.906 20 5 DCBDHN COC(=O)C[C@@]1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000767032062 668556860 /nfs/dbraw/zinc/55/68/60/668556860.db2.gz PQSFLWJAOKLQDW-ZFWWWQNUSA-N 0 3 324.333 0.940 20 5 DCBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCOC2(CNC2)C1 ZINC000854014990 670516071 /nfs/dbraw/zinc/51/60/71/670516071.db2.gz NAFJXHKXJXZDOV-UHFFFAOYSA-N 0 3 320.349 0.475 20 5 DCBDHN CC(COC(=O)CCN1C(=O)NC2(CCCC2)C1=O)[N+](=O)[O-] ZINC000813101615 670610793 /nfs/dbraw/zinc/61/07/93/670610793.db2.gz FNKNOVQZEIIDCY-SECBINFHSA-N 0 3 313.310 0.450 20 5 DCBDHN O=C1CCC2=C(CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)N1 ZINC000852298486 671115322 /nfs/dbraw/zinc/11/53/22/671115322.db2.gz BPAQDVQUEHYSEO-GFCCVEGCSA-N 0 3 321.337 0.022 20 5 DCBDHN Nc1ccc(-c2noc(C[C@H]3CNCCO3)n2)cc1[N+](=O)[O-] ZINC000843169844 672067357 /nfs/dbraw/zinc/06/73/57/672067357.db2.gz UISLOJLCRVZTEB-VIFPVBQESA-N 0 3 305.294 0.758 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001304661865 1159155541 /nfs/dbraw/zinc/15/55/41/1159155541.db2.gz PHSNCWODUNSHFM-CHWSQXEVSA-N 0 3 308.338 0.594 20 5 DCBDHN COc1ccc(CNC[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC001620964889 1167987317 /nfs/dbraw/zinc/98/73/17/1167987317.db2.gz JVBAOEJACZUPBC-NSHDSACASA-N 0 3 307.310 0.346 20 5 DCBDHN CC[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC001604319305 1169553822 /nfs/dbraw/zinc/55/38/22/1169553822.db2.gz FWGFVOXNRPALAB-VIFPVBQESA-N 0 3 306.326 0.978 20 5 DCBDHN CC[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC001604319305 1169553827 /nfs/dbraw/zinc/55/38/27/1169553827.db2.gz FWGFVOXNRPALAB-VIFPVBQESA-N 0 3 306.326 0.978 20 5 DCBDHN COCC[N@@H+]1CC[C@H](NC(=O)c2[n-]nc([N+](=O)[O-])c2Cl)C1 ZINC001628163482 1171521442 /nfs/dbraw/zinc/52/14/42/1171521442.db2.gz OZDDDAQETACTAJ-ZETCQYMHSA-N 0 3 317.733 0.422 20 5 DCBDHN COCC[N@H+]1CC[C@H](NC(=O)c2[n-]nc([N+](=O)[O-])c2Cl)C1 ZINC001628163482 1171521447 /nfs/dbraw/zinc/52/14/47/1171521447.db2.gz OZDDDAQETACTAJ-ZETCQYMHSA-N 0 3 317.733 0.422 20 5 DCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001635934899 1171718016 /nfs/dbraw/zinc/71/80/16/1171718016.db2.gz GUHYFZJLWWVXKW-SNVBAGLBSA-N 0 3 306.322 0.501 20 5 DCBDHN Cc1nonc1CNCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001665921415 1174573816 /nfs/dbraw/zinc/57/38/16/1174573816.db2.gz LMUFRNJXCSFMTL-ZYHUDNBSSA-N 0 3 323.353 0.562 20 5 DCBDHN CN(C)CCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001673252912 1175180594 /nfs/dbraw/zinc/18/05/94/1175180594.db2.gz QCBPNRMOJBHWHZ-UHFFFAOYSA-N 0 3 309.326 0.719 20 5 DCBDHN O=C(NCC1(NCc2csc([N+](=O)[O-])c2)CC1)c1ncn[nH]1 ZINC001699668403 1178244468 /nfs/dbraw/zinc/24/44/68/1178244468.db2.gz XOVNMGKVKQWNFG-UHFFFAOYSA-N 0 3 322.350 0.827 20 5 DCBDHN O=C(NCC1(NCc2csc([N+](=O)[O-])c2)CC1)c1nc[nH]n1 ZINC001699668403 1178244474 /nfs/dbraw/zinc/24/44/74/1178244474.db2.gz XOVNMGKVKQWNFG-UHFFFAOYSA-N 0 3 322.350 0.827 20 5 DCBDHN O=C(NCC1(NCc2ccon2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001724354700 1184413564 /nfs/dbraw/zinc/41/35/64/1184413564.db2.gz BQTGDCOESGFZBT-VXGBXAGGSA-N 0 3 324.337 0.095 20 5 DCBDHN CCN(CCCNC(=O)C(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001731316018 1185261899 /nfs/dbraw/zinc/26/18/99/1185261899.db2.gz MSLLKNPJYOSQJZ-UHFFFAOYSA-N 0 3 308.338 0.408 20 5 DCBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cn(C)nc1C ZINC001753082050 1188493210 /nfs/dbraw/zinc/49/32/10/1188493210.db2.gz ZYLHNBYGHSSZPO-CHWSQXEVSA-N 0 3 309.370 0.332 20 5 DCBDHN O=C(CCn1ccnn1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126264206 748350136 /nfs/dbraw/zinc/35/01/36/748350136.db2.gz KVHPPWKPZUKGIH-UHFFFAOYSA-N 0 3 318.337 0.482 20 5 DCBDHN CN(CCN(C)c1ncccc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001105404990 749183520 /nfs/dbraw/zinc/18/35/20/749183520.db2.gz FDKBVZUPUSJYKD-UHFFFAOYSA-N 0 3 321.381 0.980 20 5 DCBDHN Cc1cnc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc1 ZINC001086083338 759692877 /nfs/dbraw/zinc/69/28/77/759692877.db2.gz VTMAHAGZERHLFJ-YVECIDJPSA-N 0 3 319.365 0.435 20 5 DCBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cnon1 ZINC001168875946 760492849 /nfs/dbraw/zinc/49/28/49/760492849.db2.gz VBCLZJOWOPIWBY-UHFFFAOYSA-N 0 3 311.323 0.949 20 5 DCBDHN C[C@@H](Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170563885 763841133 /nfs/dbraw/zinc/84/11/33/763841133.db2.gz NTHAZCCFPDHDFW-XCBNKYQSSA-N 0 3 302.718 0.670 20 5 DCBDHN CSc1nc(Cl)c([N+](=O)[O-])c(-n2nncc2CN)n1 ZINC001158420108 763884354 /nfs/dbraw/zinc/88/43/54/763884354.db2.gz BUFILPYREAFOIX-UHFFFAOYSA-N 0 3 301.719 0.800 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)cn1 ZINC001133013897 764795412 /nfs/dbraw/zinc/79/54/12/764795412.db2.gz ZETUOJJDLIXZOY-UHFFFAOYSA-N 0 3 317.305 0.198 20 5 DCBDHN Cn1cc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001124606312 768268191 /nfs/dbraw/zinc/26/81/91/768268191.db2.gz CWACKWQAHQNIOC-UHFFFAOYSA-N 0 3 317.349 0.777 20 5 DCBDHN COc1nc(N[C@H](C)[C@H]2CNCCO2)nc(OC)c1[N+](=O)[O-] ZINC001159496588 766005048 /nfs/dbraw/zinc/00/50/48/766005048.db2.gz KJXCDNKXFQOSJE-HTQZYQBOSA-N 0 3 313.314 0.191 20 5 DCBDHN COCCN(C)CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136594316 766365202 /nfs/dbraw/zinc/36/52/02/766365202.db2.gz LKRRRUMTALZVKI-UHFFFAOYSA-N 0 3 305.722 0.279 20 5 DCBDHN Cc1cnc(NCc2nnn3c2CNCCC3)c([N+](=O)[O-])c1 ZINC001155389966 770487497 /nfs/dbraw/zinc/48/74/97/770487497.db2.gz MJLPLIBFFPYTEW-UHFFFAOYSA-N 0 3 303.326 0.995 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1CC=CC1 ZINC001156054851 770704952 /nfs/dbraw/zinc/70/49/52/770704952.db2.gz AUDVQRXQGDHZFK-UHFFFAOYSA-N 0 3 307.354 0.890 20 5 DCBDHN CCNC(=O)CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156861789 770947333 /nfs/dbraw/zinc/94/73/33/770947333.db2.gz BZHGKSIRGQSBJL-UHFFFAOYSA-N 0 3 322.365 0.717 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)Cc1ccoc1 ZINC001156966309 770984322 /nfs/dbraw/zinc/98/43/22/770984322.db2.gz OIUJXBQFYCZHMI-UHFFFAOYSA-N 0 3 321.337 0.760 20 5 DCBDHN COc1ccc(NCc2nnn3c2CNCCC3)nc1[N+](=O)[O-] ZINC001162972599 772437269 /nfs/dbraw/zinc/43/72/69/772437269.db2.gz HMDORRXQMGTYFL-UHFFFAOYSA-N 0 3 319.325 0.695 20 5 DCBDHN CN(C)c1ccc(N(C)S(=O)(=O)CCN)c([N+](=O)[O-])c1 ZINC001164297544 772640528 /nfs/dbraw/zinc/64/05/28/772640528.db2.gz XUEGRJIQEHHIPT-UHFFFAOYSA-N 0 3 302.356 0.386 20 5 DCBDHN COC(=O)[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)CN1 ZINC001164308477 772643554 /nfs/dbraw/zinc/64/35/54/772643554.db2.gz LSFWKEXSWKFJNT-JQWIXIFHSA-N 0 3 306.322 0.513 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854556 776131330 /nfs/dbraw/zinc/13/13/30/776131330.db2.gz SJXWQPJLDFYKLU-LLVKDONJSA-O 0 3 308.354 0.884 20 5 DCBDHN COc1ncccc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001483733331 942777433 /nfs/dbraw/zinc/77/74/33/942777433.db2.gz YGOYJGNRFOBSDF-VXGBXAGGSA-N 0 3 320.349 0.494 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CNCCN1C ZINC001263076818 947802816 /nfs/dbraw/zinc/80/28/16/947802816.db2.gz KJPQLJQLAHLOAL-LBPRGKRZSA-N 0 3 308.338 0.123 20 5 DCBDHN CCOC(=O)[C@H]1CNCCN1CCOc1ccccc1[N+](=O)[O-] ZINC001326309821 948126108 /nfs/dbraw/zinc/12/61/08/948126108.db2.gz QWMLAIDZILHSON-CYBMUJFWSA-N 0 3 323.349 0.811 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nn(C)c(C)c1CN ZINC001327578672 948559746 /nfs/dbraw/zinc/55/97/46/948559746.db2.gz JYYBFHCDOKHJLV-UHFFFAOYSA-N 0 3 321.341 0.629 20 5 DCBDHN CCc1nocc1CN(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001490192951 950406535 /nfs/dbraw/zinc/40/65/35/950406535.db2.gz ISYJWFZYAYPVMJ-DGCLKSJQSA-N 0 3 310.354 0.840 20 5 DCBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC001334868487 952404467 /nfs/dbraw/zinc/40/44/67/952404467.db2.gz QFJYSMRRADCFBX-LBPRGKRZSA-N 0 3 320.349 0.453 20 5 DCBDHN CN(C)CCN(C)C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001340875698 953201160 /nfs/dbraw/zinc/20/11/60/953201160.db2.gz RKUOAEHOWZMCBO-UHFFFAOYSA-N 0 3 322.365 0.274 20 5 DCBDHN C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC001477127167 1017255460 /nfs/dbraw/zinc/25/54/60/1017255460.db2.gz GAFYOUIFLKMLKY-KWQFWETISA-N 0 3 321.337 0.908 20 5 DCBDHN COc1cc(C(=O)N2CC(N[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001456302345 1010181440 /nfs/dbraw/zinc/18/14/40/1010181440.db2.gz VUONGDFFOPIBPZ-NSHDSACASA-N 0 3 321.333 0.806 20 5 DCBDHN COc1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001558548569 1012367119 /nfs/dbraw/zinc/36/71/19/1012367119.db2.gz DIVOYKZDYSNWRZ-NSHDSACASA-N 0 3 321.333 0.806 20 5 DCBDHN CN(CCn1cnnc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001460752151 1012964209 /nfs/dbraw/zinc/96/42/09/1012964209.db2.gz KTPLSDFJHMZANR-LBPRGKRZSA-N 0 3 321.337 0.558 20 5 DCBDHN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccn(C)n1 ZINC001479843495 1017871189 /nfs/dbraw/zinc/87/11/89/1017871189.db2.gz GARZRGCSSBEAOR-CHWSQXEVSA-N 0 3 309.370 0.414 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000331372775 233217824 /nfs/dbraw/zinc/21/78/24/233217824.db2.gz JGHDSNGZUXHATB-SNVBAGLBSA-N 0 3 309.326 0.112 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000153012328 237010899 /nfs/dbraw/zinc/01/08/99/237010899.db2.gz UOWLFHNQLVDLNO-AWEZNQCLSA-N 0 3 311.338 0.402 20 5 DCBDHN CNc1ccc(C(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000318508754 291255403 /nfs/dbraw/zinc/25/54/03/291255403.db2.gz YRYDOIDUUIXBED-UHFFFAOYSA-N 0 3 310.354 0.945 20 5 DCBDHN CN(C)[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000566425472 291300552 /nfs/dbraw/zinc/30/05/52/291300552.db2.gz CWVDZWVCRAEOQO-STQMWFEESA-N 0 3 301.293 0.980 20 5 DCBDHN N[C@H]1C[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250127 291345221 /nfs/dbraw/zinc/34/52/21/291345221.db2.gz BLPWHJJWKLFCHB-JSGCOSHPSA-N 0 3 320.349 0.217 20 5 DCBDHN CC(=O)c1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000569021432 291459115 /nfs/dbraw/zinc/45/91/15/291459115.db2.gz YSPHTQNQBSTVDX-DGCLKSJQSA-N 0 3 318.333 0.546 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000264970106 204312047 /nfs/dbraw/zinc/31/20/47/204312047.db2.gz DXLNMZFBFRUWMB-NSHDSACASA-N 0 3 322.369 0.071 20 5 DCBDHN COCCCn1nccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000282593991 217112466 /nfs/dbraw/zinc/11/24/66/217112466.db2.gz HFRIPDAILLBNOD-UHFFFAOYSA-N 0 3 308.342 0.814 20 5 DCBDHN C[C@H](CN(C)C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000346132786 254013665 /nfs/dbraw/zinc/01/36/65/254013665.db2.gz IKWUVVJENDLULQ-LLVKDONJSA-N 0 3 322.365 0.781 20 5 DCBDHN CN(C)C/C=C/C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000271654705 209098730 /nfs/dbraw/zinc/09/87/30/209098730.db2.gz LIXVMLKWOCQJBT-MXKYZYEVSA-N 0 3 323.349 0.223 20 5 DCBDHN CN(C)CC[C@](C)(O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000352110159 254399400 /nfs/dbraw/zinc/39/94/00/254399400.db2.gz AJOZVPCPEGLYBT-ZDUSSCGKSA-N 0 3 313.358 0.000 20 5 DCBDHN CN(C)CCn1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000194679981 395803524 /nfs/dbraw/zinc/80/35/24/395803524.db2.gz SHPFMIOISSBMIB-UHFFFAOYSA-N 0 3 307.314 0.188 20 5 DCBDHN COc1cc(CCNC(=O)C2(N)CC2)c([N+](=O)[O-])cc1OC ZINC000262323338 396123915 /nfs/dbraw/zinc/12/39/15/396123915.db2.gz SLCPUHQNQNBUAL-UHFFFAOYSA-N 0 3 309.322 0.762 20 5 DCBDHN CN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178150435 396190192 /nfs/dbraw/zinc/19/01/92/396190192.db2.gz ZAERLLXVXVCVQN-UHFFFAOYSA-N 0 3 321.381 0.544 20 5 DCBDHN COCCN(C)CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000263765407 396229411 /nfs/dbraw/zinc/22/94/11/396229411.db2.gz MEGJOBCHFWPZKS-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCOCC3(CCOCC3)C2)n1 ZINC000184105338 396285414 /nfs/dbraw/zinc/28/54/14/396285414.db2.gz QODSFROQDNPSRR-UHFFFAOYSA-N 0 3 310.354 0.920 20 5 DCBDHN Cc1c(CN2C(C)C(=O)N(C)S2(=O)=O)cccc1[N+](=O)[O-] ZINC000282999957 396297558 /nfs/dbraw/zinc/29/75/58/396297558.db2.gz KTDHRQIMRQLRPY-VIFPVBQESA-N 0 3 313.335 0.811 20 5 DCBDHN CN(CCN(C)C1CC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000185572555 396330650 /nfs/dbraw/zinc/33/06/50/396330650.db2.gz KYOHMKCMHLRZNW-UHFFFAOYSA-N 0 3 310.358 0.527 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)C1CCN(C2CC2)CC1 ZINC000192749089 396436693 /nfs/dbraw/zinc/43/66/93/396436693.db2.gz XKPCHNHCHNMBGN-UHFFFAOYSA-N 0 3 307.354 0.782 20 5 DCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290822609 396473492 /nfs/dbraw/zinc/47/34/92/396473492.db2.gz STUATXDBNKFUDL-ONGXEEELSA-N 0 3 307.354 0.865 20 5 DCBDHN N[C@@H]1C[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CCN2C1=O ZINC000579979062 396482867 /nfs/dbraw/zinc/48/28/67/396482867.db2.gz OOZLJYXCDBJRBZ-DTWKUNHWSA-N 0 3 310.335 0.040 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)Cn1ccnn1 ZINC000595054184 396545951 /nfs/dbraw/zinc/54/59/51/396545951.db2.gz ZAPNEDXMHDJMQH-ZYHUDNBSSA-N 0 3 321.337 0.907 20 5 DCBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588863558 396695788 /nfs/dbraw/zinc/69/57/88/396695788.db2.gz QBRACHCNBULZLO-KGLIPLIRSA-N 0 3 305.334 0.876 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000588866989 396696593 /nfs/dbraw/zinc/69/65/93/396696593.db2.gz UYDSQIPZYGNMKN-CYBMUJFWSA-N 0 3 324.381 0.826 20 5 DCBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1COC[C@H]1O ZINC000296048855 396703777 /nfs/dbraw/zinc/70/37/77/396703777.db2.gz UYWXFQUAWSSBCF-OASPWFOLSA-N 0 3 309.322 0.661 20 5 DCBDHN CN1CCC[C@@H](N2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)C1 ZINC000596129562 396722221 /nfs/dbraw/zinc/72/22/21/396722221.db2.gz SEVVIOPJSQTUAY-GFCCVEGCSA-N 0 3 320.397 0.788 20 5 DCBDHN COc1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000563899341 396792112 /nfs/dbraw/zinc/79/21/12/396792112.db2.gz UEUPQIRVHFUCII-SCZZXKLOSA-N 0 3 324.312 0.491 20 5 DCBDHN NC(=O)c1cc(NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000596257485 396745372 /nfs/dbraw/zinc/74/53/72/396745372.db2.gz LAIOLNSAYCRSAU-LBPRGKRZSA-N 0 3 322.365 0.952 20 5 DCBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1COCCN1 ZINC000600679092 396915881 /nfs/dbraw/zinc/91/58/81/396915881.db2.gz ZIIDPZGBCBGABM-YPMHNXCESA-N 0 3 322.365 0.890 20 5 DCBDHN O=C1CCC[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])N1 ZINC000591763686 396998203 /nfs/dbraw/zinc/99/82/03/396998203.db2.gz BNHQNIABXZFHGU-NEPJUHHUSA-N 0 3 323.349 0.593 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571940085 397003886 /nfs/dbraw/zinc/00/38/86/397003886.db2.gz RLDMUEFEXFICDS-WCQYABFASA-N 0 3 318.333 0.287 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000597619324 397034282 /nfs/dbraw/zinc/03/42/82/397034282.db2.gz FVUNAJWILAMZJU-LLVKDONJSA-N 0 3 323.353 0.645 20 5 DCBDHN COc1ccc(CC(=O)N[C@@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000597654514 397046272 /nfs/dbraw/zinc/04/62/72/397046272.db2.gz SFLDSXWFCTZACH-LLVKDONJSA-N 0 3 311.338 0.185 20 5 DCBDHN C[C@@H]1OCC[C@]1(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000618970400 397049384 /nfs/dbraw/zinc/04/93/84/397049384.db2.gz BWENMFVJKINQPU-BONVTDFDSA-N 0 3 324.333 0.996 20 5 DCBDHN COC(=O)[C@@H]1C[C@H](O)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592198313 397124170 /nfs/dbraw/zinc/12/41/70/397124170.db2.gz NMSOAYAYHGYWLJ-OCCSQVGLSA-N 0 3 308.334 0.993 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H](O)C(F)(F)F ZINC000592431975 397176822 /nfs/dbraw/zinc/17/68/22/397176822.db2.gz AJENWNBFQUEOHN-GZMMTYOYSA-N 0 3 324.255 0.847 20 5 DCBDHN O=[N+]([O-])c1ncn(C[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000601958578 397273300 /nfs/dbraw/zinc/27/33/00/397273300.db2.gz NOMVLXRFLOBKQU-CQSZACIVSA-N 0 3 303.322 0.823 20 5 DCBDHN C[C@@](CN)(NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598914538 397307755 /nfs/dbraw/zinc/30/77/55/397307755.db2.gz HBFITYOWILTBNU-AWEZNQCLSA-N 0 3 306.322 0.777 20 5 DCBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000577653518 397351018 /nfs/dbraw/zinc/35/10/18/397351018.db2.gz AGOGDYTUXXFMSI-UHFFFAOYSA-N 0 3 318.337 0.917 20 5 DCBDHN NC(=O)c1ccnc(N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000578585427 397455342 /nfs/dbraw/zinc/45/53/42/397455342.db2.gz FKDRMHAHYFITOG-SNVBAGLBSA-N 0 3 305.338 0.763 20 5 DCBDHN CCCC[C@@H](CN)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000578865762 397494290 /nfs/dbraw/zinc/49/42/90/397494290.db2.gz OZLNMACLMRSPHQ-LBPRGKRZSA-N 0 3 322.365 0.845 20 5 DCBDHN Cc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000579006565 397514927 /nfs/dbraw/zinc/51/49/27/397514927.db2.gz ONWCCJFJMCWEBC-JQWIXIFHSA-N 0 3 318.333 0.287 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](N2CCOCC2)C1 ZINC000602836675 397498387 /nfs/dbraw/zinc/49/83/87/397498387.db2.gz QQLOMTWMAXLXEG-AWEZNQCLSA-N 0 3 323.397 0.896 20 5 DCBDHN Cn1c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938619 397545188 /nfs/dbraw/zinc/54/51/88/397545188.db2.gz QXIWQUQSVFRUEE-GHMZBOCLSA-N 0 3 308.338 0.214 20 5 DCBDHN CC(C)[C@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169186832 158373692 /nfs/dbraw/zinc/37/36/92/158373692.db2.gz YMNJARHRCVEBMH-GWCFXTLKSA-N 0 3 307.354 0.986 20 5 DCBDHN CN1CCC[C@@H](N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 ZINC000367195597 159321441 /nfs/dbraw/zinc/32/14/41/159321441.db2.gz JQVOMHZIDWGCMP-LLVKDONJSA-N 0 3 322.369 0.170 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000367834194 159358991 /nfs/dbraw/zinc/35/89/91/159358991.db2.gz UZJLKFPFJDWNPX-UWVGGRQHSA-N 0 3 317.342 0.882 20 5 DCBDHN CN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000132837775 287007020 /nfs/dbraw/zinc/00/70/20/287007020.db2.gz QXZYSPIYCYXSDS-LBPRGKRZSA-N 0 3 312.757 0.963 20 5 DCBDHN CN(C)[C@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCSC1 ZINC000267111692 287130443 /nfs/dbraw/zinc/13/04/43/287130443.db2.gz NPLSFJLSZLXQDO-LBPRGKRZSA-N 0 3 313.383 0.345 20 5 DCBDHN COCCNCCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415428567 287236146 /nfs/dbraw/zinc/23/61/46/287236146.db2.gz AEZZOKSQAFYFQJ-UHFFFAOYSA-N 0 3 312.326 0.961 20 5 DCBDHN NC(=O)C[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551482 415529929 /nfs/dbraw/zinc/52/99/29/415529929.db2.gz OWAWJGQPWQPTRI-LLVKDONJSA-N 0 3 308.338 0.344 20 5 DCBDHN CO[C@H]1C[C@@H](CN(C)c2cccc(C(N)=O)c2[N+](=O)[O-])N(C)C1 ZINC000343876919 415761612 /nfs/dbraw/zinc/76/16/12/415761612.db2.gz WGNZMXOIPLWWSM-QWRGUYRKSA-N 0 3 322.365 0.849 20 5 DCBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1N1CCCC1 ZINC000356114978 415871598 /nfs/dbraw/zinc/87/15/98/415871598.db2.gz JFLXVCIXMRWDFU-WDEREUQCSA-N 0 3 324.410 0.983 20 5 DCBDHN Cc1c(NC(=O)C(=O)N[C@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000357591917 416102049 /nfs/dbraw/zinc/10/20/49/416102049.db2.gz AZVIERRQHVTKCD-SECBINFHSA-N 0 3 308.338 0.908 20 5 DCBDHN COCCNCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000179380562 416187377 /nfs/dbraw/zinc/18/73/77/416187377.db2.gz YLBXMPXZHYNODW-UHFFFAOYSA-N 0 3 317.367 0.418 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000178485516 416163889 /nfs/dbraw/zinc/16/38/89/416163889.db2.gz XJIJZWWGKQIEDF-CYBMUJFWSA-N 0 3 309.370 0.445 20 5 DCBDHN CN(CCCN1CCN(C)CC1)CCn1ccc([N+](=O)[O-])n1 ZINC000182966696 416235220 /nfs/dbraw/zinc/23/52/20/416235220.db2.gz HJFHIDZHYDHRFW-UHFFFAOYSA-N 0 3 310.402 0.361 20 5 DCBDHN C[C@@H](CN)NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419349623 416400173 /nfs/dbraw/zinc/40/01/73/416400173.db2.gz MQUOSKWGIAPQHO-NSHDSACASA-N 0 3 322.365 0.497 20 5 DCBDHN Nc1nccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000594286395 416558210 /nfs/dbraw/zinc/55/82/10/416558210.db2.gz YGRLIFAJYAAPGY-SNVBAGLBSA-N 0 3 305.338 0.786 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCNCCOC)c1 ZINC000423498403 416516712 /nfs/dbraw/zinc/51/67/12/416516712.db2.gz BSWMAACSGUCSEQ-UHFFFAOYSA-N 0 3 311.338 0.959 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCCN(C[C@H]3CCCO3)CC2)n1 ZINC000610485196 416657289 /nfs/dbraw/zinc/65/72/89/416657289.db2.gz DNPNAVMJCWBRCZ-CQSZACIVSA-N 0 3 323.397 0.978 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000545170994 416665917 /nfs/dbraw/zinc/66/59/17/416665917.db2.gz GBIAZRBORUFTMK-AWEZNQCLSA-N 0 3 323.305 0.120 20 5 DCBDHN CC(=O)N1CC[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000516276917 416719955 /nfs/dbraw/zinc/71/99/55/416719955.db2.gz QHRGZQLGIUUFMM-QWHCGFSZSA-N 0 3 323.349 0.545 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000556973039 416722258 /nfs/dbraw/zinc/72/22/58/416722258.db2.gz HFJJBQUSPPNODE-STQMWFEESA-N 0 3 309.322 0.107 20 5 DCBDHN CCN(CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-])C1CC1 ZINC000557590970 416737901 /nfs/dbraw/zinc/73/79/01/416737901.db2.gz QXQUKVRKFDULFM-UHFFFAOYSA-N 0 3 307.354 1.246 20 5 DCBDHN NC(=O)[C@H]1CCCN(CCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000443514817 416763692 /nfs/dbraw/zinc/76/36/92/416763692.db2.gz ZCJMSJZHWDSNOQ-VIFPVBQESA-N 0 3 313.383 1.051 20 5 DCBDHN CCN(C)C(=O)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000518172366 416840376 /nfs/dbraw/zinc/84/03/76/416840376.db2.gz VMTCIEFCGZTSQB-LLVKDONJSA-N 0 3 311.338 0.402 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CC[S@](=O)C1 ZINC000521863241 417028531 /nfs/dbraw/zinc/02/85/31/417028531.db2.gz VHDLRKIADWFPHQ-BJFPOWJFSA-N 0 3 314.363 0.445 20 5 DCBDHN CCN(C)C[C@@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000565904491 417032699 /nfs/dbraw/zinc/03/26/99/417032699.db2.gz PBNLDQFGGKXQTA-GFCCVEGCSA-N 0 3 322.321 0.724 20 5 DCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000521462871 417011964 /nfs/dbraw/zinc/01/19/64/417011964.db2.gz PCSPYSHJEYGTKC-SFYZADRCSA-N 0 3 310.335 0.040 20 5 DCBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000568528987 417147940 /nfs/dbraw/zinc/14/79/40/417147940.db2.gz IPOSTDDBZXCBCC-JTQLQIEISA-N 0 3 307.354 0.986 20 5 DCBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000570201921 417325531 /nfs/dbraw/zinc/32/55/31/417325531.db2.gz NMAIOLABFIVNSE-CMPLNLGQSA-N 0 3 311.338 0.401 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN1CCCO ZINC000452787088 417501742 /nfs/dbraw/zinc/50/17/42/417501742.db2.gz YFQTYONIIATPSI-LLVKDONJSA-N 0 3 322.365 0.754 20 5 DCBDHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000317343745 261176606 /nfs/dbraw/zinc/17/66/06/261176606.db2.gz GLTVQSGQTBXTAP-ZDUSSCGKSA-N 0 3 308.338 0.311 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381454296 332657709 /nfs/dbraw/zinc/65/77/09/332657709.db2.gz HQDIBTRPUVHFGG-JGVFFNPUSA-N 0 3 303.340 0.617 20 5 DCBDHN C[C@@H]1C[C@H](C)CN(CCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1 ZINC000582252543 336394833 /nfs/dbraw/zinc/39/48/33/336394833.db2.gz KIYCYNKNLUBORE-PHIMTYICSA-N 0 3 322.365 0.833 20 5 DCBDHN N[C@H]1C[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577410602 341908762 /nfs/dbraw/zinc/90/87/62/341908762.db2.gz AEDHPJNOCYEGLF-NEPJUHHUSA-N 0 3 319.321 0.371 20 5 DCBDHN CS[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1N(C)C ZINC000332655678 534008043 /nfs/dbraw/zinc/00/80/43/534008043.db2.gz DVCGDJDIUQPDBB-VHSXEESVSA-N 0 3 313.383 0.446 20 5 DCBDHN COCCNCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000237318409 523938416 /nfs/dbraw/zinc/93/84/16/523938416.db2.gz IDULTQOXQGHPKW-UHFFFAOYSA-N 0 3 300.290 0.282 20 5 DCBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000190886822 524972101 /nfs/dbraw/zinc/97/21/01/524972101.db2.gz VLBLBKMWCPGFSO-AGIUHOORSA-N 0 3 310.350 0.895 20 5 DCBDHN COC[C@@](C)([NH3+])CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736967986 598895730 /nfs/dbraw/zinc/89/57/30/598895730.db2.gz OTFSEVXEYXICOQ-LBPRGKRZSA-N 0 3 307.314 0.551 20 5 DCBDHN COC[C@@](C)([NH3+])CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736967986 598895731 /nfs/dbraw/zinc/89/57/31/598895731.db2.gz OTFSEVXEYXICOQ-LBPRGKRZSA-N 0 3 307.314 0.551 20 5 DCBDHN CCN(CC)CC(=O)N1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000892331056 658912739 /nfs/dbraw/zinc/91/27/39/658912739.db2.gz QSBJQKHUAZRPLI-UHFFFAOYSA-N 0 3 324.385 0.319 20 5 DCBDHN C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[C@H]1N1CCN(C)CC1 ZINC000893046993 659705502 /nfs/dbraw/zinc/70/55/02/659705502.db2.gz IYXCRIVVVCUQEN-QWHCGFSZSA-N 0 3 322.413 0.791 20 5 DCBDHN COc1cc([N+](=O)[O-])cnc1N1CCN(CCN(C)C)C(=O)C1 ZINC000894381466 661945462 /nfs/dbraw/zinc/94/54/62/661945462.db2.gz GTCWOUYLZAURAI-UHFFFAOYSA-N 0 3 323.353 0.209 20 5 DCBDHN CN(CCC(=O)N1CCNCC1)Cc1ccccc1[N+](=O)[O-] ZINC000262279311 662294515 /nfs/dbraw/zinc/29/45/15/662294515.db2.gz ZCFQKIPTPSWRLX-UHFFFAOYSA-N 0 3 306.366 0.849 20 5 DCBDHN C[C@@H](NC[C@]1(CO)COCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000903285483 663451024 /nfs/dbraw/zinc/45/10/24/663451024.db2.gz KYXYGOGONGZPLX-DOMZBBRYSA-N 0 3 309.366 0.939 20 5 DCBDHN COc1ccc(N2CCN(CCNCC[N+](=O)[O-])CC2)cc1 ZINC000905070245 663530391 /nfs/dbraw/zinc/53/03/91/663530391.db2.gz IIMWHEBCQXLAMP-UHFFFAOYSA-N 0 3 308.382 0.684 20 5 DCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC000756817972 668101405 /nfs/dbraw/zinc/10/14/05/668101405.db2.gz JEYHYOJVSXJSNA-WDEREUQCSA-N 0 3 323.353 0.404 20 5 DCBDHN CN(C)C[C@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000876874533 668525531 /nfs/dbraw/zinc/52/55/31/668525531.db2.gz GRKVYQGQXZFZER-ZDUSSCGKSA-N 0 3 306.366 0.975 20 5 DCBDHN Cc1nn(CN2CCN(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000779865472 668945879 /nfs/dbraw/zinc/94/58/79/668945879.db2.gz PCIJZXZZQQDUNF-UHFFFAOYSA-N 0 3 309.370 0.854 20 5 DCBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930441008 669018547 /nfs/dbraw/zinc/01/85/47/669018547.db2.gz QIUCGTWNCMGUKL-HOCLYGCPSA-N 0 3 324.377 0.972 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000716729203 670272144 /nfs/dbraw/zinc/27/21/44/670272144.db2.gz CMPPNCHFGWILPZ-QMMMGPOBSA-N 0 3 301.730 0.901 20 5 DCBDHN CC(COC(=O)CCc1nc(-c2ncccn2)no1)[N+](=O)[O-] ZINC000813102079 670610482 /nfs/dbraw/zinc/61/04/82/670610482.db2.gz NPJAATNBGHSCFN-QMMMGPOBSA-N 0 3 307.266 0.668 20 5 DCBDHN Cc1cccc2c1ncn(CC(=O)OCC(C)[N+](=O)[O-])c2=O ZINC000813103191 670610670 /nfs/dbraw/zinc/61/06/70/670610670.db2.gz YVEMENOTIJECGP-JTQLQIEISA-N 0 3 305.290 0.913 20 5 DCBDHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104367 670611476 /nfs/dbraw/zinc/61/14/76/670611476.db2.gz ZGLAUIKJWRLKSR-GHMZBOCLSA-N 0 3 322.383 0.789 20 5 DCBDHN CC(COC(=O)c1ccccc1OCC(=O)N(C)C)[N+](=O)[O-] ZINC000813106338 670612148 /nfs/dbraw/zinc/61/21/48/670612148.db2.gz BBZQNPRVAWICGD-JTQLQIEISA-N 0 3 310.306 0.976 20 5 DCBDHN CC(COC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)[N+](=O)[O-] ZINC000813112936 670612776 /nfs/dbraw/zinc/61/27/76/670612776.db2.gz MITDLMKRBVMGNA-JOYOIKCWSA-N 0 3 320.305 0.315 20 5 DCBDHN CC(COC(=O)c1cnn(CC(=O)NC2CCCC2)c1)[N+](=O)[O-] ZINC000813114581 670612961 /nfs/dbraw/zinc/61/29/61/670612961.db2.gz TWGTXUKWZFXEFT-JTQLQIEISA-N 0 3 324.337 0.764 20 5 DCBDHN CNS(=O)(=O)c1ccc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813115393 670613145 /nfs/dbraw/zinc/61/31/45/670613145.db2.gz QVJJNHLZXKZLRN-SECBINFHSA-N 0 3 316.335 0.725 20 5 DCBDHN CN(C)CCONC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000854947106 670660438 /nfs/dbraw/zinc/66/04/38/670660438.db2.gz GKHABGWNSRVGKP-UHFFFAOYSA-N 0 3 320.309 0.399 20 5 DCBDHN Cc1cc(C(=O)N[C@H](CO)CN2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000816625644 670829670 /nfs/dbraw/zinc/82/96/70/670829670.db2.gz KCMGWDPNRLYAHU-NSHDSACASA-N 0 3 322.365 0.672 20 5 DCBDHN N[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@H]1F ZINC000850593438 670921577 /nfs/dbraw/zinc/92/15/77/670921577.db2.gz QVNHCODHSJZVCE-VXNVDRBHSA-N 0 3 321.305 0.794 20 5 DCBDHN Nc1nc(N)nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000858312459 670991833 /nfs/dbraw/zinc/99/18/33/670991833.db2.gz ZZRKBKWFJCLYFO-UHFFFAOYSA-N 0 3 316.325 0.271 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000853244857 671223851 /nfs/dbraw/zinc/22/38/51/671223851.db2.gz QFMIWSVUJWFFRZ-UHFFFAOYSA-N 0 3 322.277 0.317 20 5 DCBDHN CC(COC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)[N+](=O)[O-] ZINC000860777017 671237659 /nfs/dbraw/zinc/23/76/59/671237659.db2.gz JFOGGCPGEOCZOX-RYEJSQLPSA-N 0 3 303.292 0.905 20 5 DCBDHN CC(COC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)[N+](=O)[O-] ZINC000860777016 671237931 /nfs/dbraw/zinc/23/79/31/671237931.db2.gz JFOGGCPGEOCZOX-QIUOEGRZSA-N 0 3 303.292 0.905 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnc(C)cn1 ZINC001691180621 1157607607 /nfs/dbraw/zinc/60/76/07/1157607607.db2.gz GLBWTHPGAMNANP-ZIAGYGMSSA-N 0 3 321.381 0.778 20 5 DCBDHN CCn1ccc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)n1 ZINC001570103832 1161422221 /nfs/dbraw/zinc/42/22/21/1161422221.db2.gz JSDAJRGJINHJRF-CHWSQXEVSA-N 0 3 321.381 0.697 20 5 DCBDHN CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](CC)CN1 ZINC001573717732 1163539964 /nfs/dbraw/zinc/53/99/64/1163539964.db2.gz HJJCARCQHJUSFE-VXGBXAGGSA-N 0 3 322.365 0.746 20 5 DCBDHN CC(C)(C(=O)N[C@@]12CCN(C1)CCC2)n1cc([N+](=O)[O-])cn1 ZINC001597367239 1168007264 /nfs/dbraw/zinc/00/72/64/1168007264.db2.gz TVWDNOSOEFELPN-AWEZNQCLSA-N 0 3 307.354 0.881 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001626175165 1169595128 /nfs/dbraw/zinc/59/51/28/1169595128.db2.gz RPDOYKXKXLDEGB-RYUDHWBXSA-N 0 3 320.349 0.770 20 5 DCBDHN C[N@@H+]1CC[C@](O)(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604856506 1169714850 /nfs/dbraw/zinc/71/48/50/1169714850.db2.gz ZEXXWQGGRXWOIE-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@](O)(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604856506 1169714855 /nfs/dbraw/zinc/71/48/55/1169714855.db2.gz ZEXXWQGGRXWOIE-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001636885130 1171751603 /nfs/dbraw/zinc/75/16/03/1171751603.db2.gz ULHXNGZXAFGDEB-NWDGAFQWSA-N 0 3 308.338 0.594 20 5 DCBDHN COC1(OC)CCOC[C@H]1NCCn1ccc([N+](=O)[O-])n1 ZINC001644360571 1172006185 /nfs/dbraw/zinc/00/61/85/1172006185.db2.gz XQGTZRQIEJTXTE-SNVBAGLBSA-N 0 3 300.315 0.159 20 5 DCBDHN O=C1OCC[C@]12CCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001655919704 1173830631 /nfs/dbraw/zinc/83/06/31/1173830631.db2.gz WRLBMNNCEGIZMS-AWEZNQCLSA-N 0 3 307.306 0.396 20 5 DCBDHN Cc1nonc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001666759959 1174634640 /nfs/dbraw/zinc/63/46/40/1174634640.db2.gz PZWSXMJYYIHROD-ZYHUDNBSSA-N 0 3 323.353 0.562 20 5 DCBDHN O=C(NCC1(O)CN(CCC2=CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001724453821 1184446179 /nfs/dbraw/zinc/44/61/79/1184446179.db2.gz JRAVQHULRLDHIY-ZIAGYGMSSA-N 0 3 323.393 0.705 20 5 DCBDHN NC(=O)CC(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001754979556 1188985977 /nfs/dbraw/zinc/98/59/77/1188985977.db2.gz UVUYVXMTZCQCAQ-UHFFFAOYSA-N 0 3 320.349 0.599 20 5 DCBDHN O=C(Cc1cc[nH]n1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125141323 751820476 /nfs/dbraw/zinc/82/04/76/751820476.db2.gz KUPNOAHPLUEKJI-UHFFFAOYSA-N 0 3 303.322 0.766 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]n1 ZINC001123091478 751234777 /nfs/dbraw/zinc/23/47/77/751234777.db2.gz RDODOPPRLZXLTL-UHFFFAOYSA-N 0 3 317.305 0.610 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC(=N)N2CCN(C)CC2)c1 ZINC001168746573 754083322 /nfs/dbraw/zinc/08/33/22/754083322.db2.gz XJEGZNHZERFCGV-UHFFFAOYSA-N 0 3 321.337 0.975 20 5 DCBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3ncc(O)cn3)CC2)C1 ZINC001169042119 760557210 /nfs/dbraw/zinc/55/72/10/760557210.db2.gz CYJMDWSZOJESSX-VXGBXAGGSA-N 0 3 307.354 0.750 20 5 DCBDHN O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@@H]2CNCCO2)cc1F ZINC001580875581 1165748900 /nfs/dbraw/zinc/74/89/00/1165748900.db2.gz NRQTXEIXXHLIMZ-VIFPVBQESA-N 0 3 320.298 0.431 20 5 DCBDHN CC(=O)N(C)CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154819698 770305405 /nfs/dbraw/zinc/30/54/05/770305405.db2.gz PGMNRTRTANDETK-UHFFFAOYSA-N 0 3 322.365 0.669 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001157003439 771516424 /nfs/dbraw/zinc/51/64/24/771516424.db2.gz DGVJRUNKLMMOEU-JTQLQIEISA-N 0 3 315.757 0.829 20 5 DCBDHN O=[N+]([O-])c1cc[n+]([O-])c(N2CCO[C@@H](CN3CCCC3)C2)c1 ZINC001158306288 771756498 /nfs/dbraw/zinc/75/64/98/771756498.db2.gz WEOJIXNNJVEWNG-ZDUSSCGKSA-N 0 3 308.338 0.529 20 5 DCBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCO[C@@H](CN2CCCC2)C1 ZINC001158310309 771757351 /nfs/dbraw/zinc/75/73/51/771757351.db2.gz ZABUVEXQVXOEEN-ZDUSSCGKSA-N 0 3 322.365 0.838 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1CNCCO1 ZINC001159488623 771917895 /nfs/dbraw/zinc/91/78/95/771917895.db2.gz FFPQCWBXBSCGLF-GZMMTYOYSA-N 0 3 310.310 0.565 20 5 DCBDHN COc1ccnc(NCc2nnn3c2CNCCC3)c1[N+](=O)[O-] ZINC001162973667 772438116 /nfs/dbraw/zinc/43/81/16/772438116.db2.gz WXTZQQWAPWDJOD-UHFFFAOYSA-N 0 3 319.325 0.695 20 5 DCBDHN O=[N+]([O-])c1cc(NCc2nnn3c2CNCCC3)cnc1F ZINC001162978276 772438952 /nfs/dbraw/zinc/43/89/52/772438952.db2.gz WUZGCWZFQMYEGZ-UHFFFAOYSA-N 0 3 307.289 0.826 20 5 DCBDHN CN(c1nc2c(cc1[N+](=O)[O-])CCCC2)S(=O)(=O)CCN ZINC001164292445 772638243 /nfs/dbraw/zinc/63/82/43/772638243.db2.gz LZNLPJYCYJTWCU-UHFFFAOYSA-N 0 3 314.367 0.593 20 5 DCBDHN Nc1nc(N2CC[C@@H]3[C@H]2CCCN3CCO)ncc1[N+](=O)[O-] ZINC001164303004 772642434 /nfs/dbraw/zinc/64/24/34/772642434.db2.gz NCBNISDBLYUZIE-NXEZZACHSA-N 0 3 308.342 0.002 20 5 DCBDHN COC(=O)c1cnc(N2CC[C@@H]3NCCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165269601 772713627 /nfs/dbraw/zinc/71/36/27/772713627.db2.gz OUFVWNOKAYMCNR-JQWIXIFHSA-N 0 3 322.321 0.344 20 5 DCBDHN NC(=O)[C@H](C1CC1)N(CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC001197087516 773688325 /nfs/dbraw/zinc/68/83/25/773688325.db2.gz XHLFXIAAMCVSKL-ZDUSSCGKSA-N 0 3 307.354 0.767 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C(C)(F)F ZINC001154114632 775001507 /nfs/dbraw/zinc/00/15/07/775001507.db2.gz OLTXEUXPQODOMZ-UHFFFAOYSA-N 0 3 305.285 0.579 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCCN1CCN(C)CC1 ZINC001224550424 775582345 /nfs/dbraw/zinc/58/23/45/775582345.db2.gz VBZMWHPCTCKNMP-LBPRGKRZSA-N 0 3 311.386 0.752 20 5 DCBDHN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccnn1C ZINC001273507714 947932495 /nfs/dbraw/zinc/93/24/95/947932495.db2.gz KJNYLVFRAIOQEA-CHWSQXEVSA-N 0 3 309.370 0.366 20 5 DCBDHN CN1CCN(CC2CN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC001328393330 948871954 /nfs/dbraw/zinc/87/19/54/948871954.db2.gz AWSONPLYAGZORN-UHFFFAOYSA-N 0 3 312.414 0.528 20 5 DCBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001347857930 954173728 /nfs/dbraw/zinc/17/37/28/954173728.db2.gz VIFQQYNWPXZHPW-SNVBAGLBSA-N 0 3 309.326 0.301 20 5 DCBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CC(N[C@@H]2CCOC2)C1 ZINC001304085246 960075081 /nfs/dbraw/zinc/07/50/81/960075081.db2.gz SPIJYAYQRGKNSE-LLVKDONJSA-N 0 3 321.333 0.563 20 5 DCBDHN CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001471867700 1016679249 /nfs/dbraw/zinc/67/92/49/1016679249.db2.gz IEYPYNSEVRBXON-UHFFFAOYSA-N 0 3 312.282 0.157 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001442676077 1009608627 /nfs/dbraw/zinc/60/86/27/1009608627.db2.gz ZLDBBDDJHUIOBD-NWDGAFQWSA-N 0 3 323.353 0.079 20 5 DCBDHN O=[N+]([O-])c1c(N2CC(N[C@H]3CCOC3)C2)nc2sccn21 ZINC001559290625 1012413554 /nfs/dbraw/zinc/41/35/54/1012413554.db2.gz VZKBFMFYYYUCMD-QMMMGPOBSA-N 0 3 309.351 0.871 20 5 DCBDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2cn(C)nc2[N+](=O)[O-])C1 ZINC001460406887 1012904321 /nfs/dbraw/zinc/90/43/21/1012904321.db2.gz QMOZFYUPONYNAX-CYZMBNFOSA-N 0 3 312.370 0.984 20 5 DCBDHN CN1CCN(CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000172970408 198171863 /nfs/dbraw/zinc/17/18/63/198171863.db2.gz QZLFPNDTMWJILC-UHFFFAOYSA-N 0 3 320.393 0.891 20 5 DCBDHN COC(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174652239 198365538 /nfs/dbraw/zinc/36/55/38/198365538.db2.gz QNCOBQMZCAOILK-GFCCVEGCSA-N 0 3 312.326 0.037 20 5 DCBDHN CN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000162285143 291243480 /nfs/dbraw/zinc/24/34/80/291243480.db2.gz AXJNJIADYNVBCP-CQSZACIVSA-N 0 3 306.366 0.629 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CO)CC(F)F)c1 ZINC000566231140 291285081 /nfs/dbraw/zinc/28/50/81/291285081.db2.gz LFSFWYINTXXYHB-KOLCDFICSA-N 0 3 320.292 0.940 20 5 DCBDHN N[C@@H]1C[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000573141174 291614480 /nfs/dbraw/zinc/61/44/80/291614480.db2.gz UXEKBWWKKLEVCX-NWDGAFQWSA-N 0 3 319.321 0.371 20 5 DCBDHN COC(=O)CC[C@@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000288593746 220269830 /nfs/dbraw/zinc/26/98/30/220269830.db2.gz JWYIZBOQUPHISP-SNVBAGLBSA-N 0 3 307.306 0.764 20 5 DCBDHN CC(C)[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339814509 253149904 /nfs/dbraw/zinc/14/99/04/253149904.db2.gz RXEGOVAAUZZFOV-UONOGXRCSA-N 0 3 312.370 0.899 20 5 DCBDHN CN(C)C/C=C/C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000271654690 209097831 /nfs/dbraw/zinc/09/78/31/209097831.db2.gz LIXVMLKWOCQJBT-CSDYLXSXSA-N 0 3 323.349 0.223 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CCO)c2ccccc2)c1 ZINC000271813111 296522103 /nfs/dbraw/zinc/52/21/03/296522103.db2.gz UPQCHBFZXDQLSB-CABCVRRESA-N 0 3 320.349 0.866 20 5 DCBDHN C[C@@H]1CCNC(=O)[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193586910 395772736 /nfs/dbraw/zinc/77/27/36/395772736.db2.gz ABPJABGSZBUFGF-SUNKGSAMSA-N 0 3 323.349 0.449 20 5 DCBDHN CN1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000048773554 395823192 /nfs/dbraw/zinc/82/31/92/395823192.db2.gz DLVOKGUQVBHRHC-UHFFFAOYSA-N 0 3 306.322 0.744 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115438697 395840145 /nfs/dbraw/zinc/84/01/45/395840145.db2.gz NLYAXFIQHWCLEO-GFCCVEGCSA-N 0 3 309.370 0.900 20 5 DCBDHN COCCCN(C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000152536696 396012545 /nfs/dbraw/zinc/01/25/45/396012545.db2.gz UWILFQJZCJGWJP-UHFFFAOYSA-N 0 3 310.354 0.875 20 5 DCBDHN C[C@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000177096746 396166210 /nfs/dbraw/zinc/16/62/10/396166210.db2.gz QSJOCCXFAGIQRX-WDEREUQCSA-N 0 3 307.354 0.923 20 5 DCBDHN O=C(CCN(CCO)CCCO)Nc1ccccc1[N+](=O)[O-] ZINC000283424840 396336220 /nfs/dbraw/zinc/33/62/20/396336220.db2.gz WNOQVMQFPDZUBR-UHFFFAOYSA-N 0 3 311.338 0.600 20 5 DCBDHN COC(=O)c1cc(NC(=O)C[C@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC000269242643 396398851 /nfs/dbraw/zinc/39/88/51/396398851.db2.gz QTPHPZNBFYPCBP-LBPRGKRZSA-N 0 3 323.305 0.698 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290850020 396474207 /nfs/dbraw/zinc/47/42/07/396474207.db2.gz XGAVCUAJHIZCFB-LDYMZIIASA-N 0 3 305.338 0.983 20 5 DCBDHN CN1CC[C@]2(CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000292572614 396556822 /nfs/dbraw/zinc/55/68/22/396556822.db2.gz LJBSLXURLBCKEU-AWEZNQCLSA-N 0 3 322.369 0.529 20 5 DCBDHN C[C@H](NCCN1C(=O)CNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294428243 396674203 /nfs/dbraw/zinc/67/42/03/396674203.db2.gz UPRJHXYGTYEIDG-QMMMGPOBSA-N 0 3 307.310 0.379 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H]1COCCO1 ZINC000562988995 396691527 /nfs/dbraw/zinc/69/15/27/396691527.db2.gz VGYCNXHRTMDZAY-NWDGAFQWSA-N 0 3 312.322 0.340 20 5 DCBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588863559 396696180 /nfs/dbraw/zinc/69/61/80/396696180.db2.gz QBRACHCNBULZLO-UONOGXRCSA-N 0 3 305.334 0.876 20 5 DCBDHN Cc1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000588873636 396696791 /nfs/dbraw/zinc/69/67/91/396696791.db2.gz NIVCWBXQOXULBS-NSHDSACASA-N 0 3 322.365 0.699 20 5 DCBDHN NC(=O)c1cccc([N+](=O)[O-])c1NCCCN1CCC(O)CC1 ZINC000596085896 396716155 /nfs/dbraw/zinc/71/61/55/396716155.db2.gz NNOJUYWDELGXQJ-UHFFFAOYSA-N 0 3 322.365 0.952 20 5 DCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596468963 396782383 /nfs/dbraw/zinc/78/23/83/396782383.db2.gz QKLMBALETHUZMM-UHFFFAOYSA-N 0 3 311.342 0.015 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CC[NH3+] ZINC000313041774 396768245 /nfs/dbraw/zinc/76/82/45/396768245.db2.gz RLMJPWYXSZWQHR-QMMMGPOBSA-N 0 3 303.340 0.619 20 5 DCBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NCCN1CC[C@H](O)C1 ZINC000600808218 396947583 /nfs/dbraw/zinc/94/75/83/396947583.db2.gz MTVUFLRYXNIQBR-LBPRGKRZSA-N 0 3 323.349 0.547 20 5 DCBDHN CN(C)[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1O ZINC000601166530 397013871 /nfs/dbraw/zinc/01/38/71/397013871.db2.gz MOUXPEUVJSSLQO-BQBZGAKWSA-N 0 3 323.275 0.458 20 5 DCBDHN CC1(C)CN[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591675480 396974073 /nfs/dbraw/zinc/97/40/73/396974073.db2.gz NIUCLNDGEKCVBZ-CYBMUJFWSA-N 0 3 319.365 0.636 20 5 DCBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1CNC1 ZINC000592389387 397167501 /nfs/dbraw/zinc/16/75/01/397167501.db2.gz WVOIPBLMGZCLOD-UHFFFAOYSA-N 0 3 301.324 0.196 20 5 DCBDHN Nc1nc(N)nc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000599084274 397332490 /nfs/dbraw/zinc/33/24/90/397332490.db2.gz QWMBJSLGTIXRRF-SNVBAGLBSA-N 0 3 315.337 0.989 20 5 DCBDHN O=[N+]([O-])c1cc2c(cc1CNCCN1CC[C@@H](O)C1)OCCO2 ZINC000599010115 397323482 /nfs/dbraw/zinc/32/34/82/397323482.db2.gz PIVZUUQAKXSUEC-GFCCVEGCSA-N 0 3 323.349 0.522 20 5 DCBDHN NC(=O)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000578618813 397459618 /nfs/dbraw/zinc/45/96/18/397459618.db2.gz SVWFSFMLQXICIC-ZDUSSCGKSA-N 0 3 319.321 0.041 20 5 DCBDHN CCN(CCN)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000599951479 397551396 /nfs/dbraw/zinc/55/13/96/397551396.db2.gz WWTQLTUWWHQZTA-UHFFFAOYSA-N 0 3 308.338 0.327 20 5 DCBDHN CN1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1(C)C ZINC000330434700 159172672 /nfs/dbraw/zinc/17/26/72/159172672.db2.gz YDUYQTJYBRVCCE-UHFFFAOYSA-N 0 3 309.370 0.679 20 5 DCBDHN CCOC[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246462109 287083946 /nfs/dbraw/zinc/08/39/46/287083946.db2.gz FMPJSDJCFHMIDB-YPMHNXCESA-N 0 3 310.354 0.873 20 5 DCBDHN CO[C@@H](CN)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290120778 415765067 /nfs/dbraw/zinc/76/50/67/415765067.db2.gz ZJOTUPALAFGPSS-AWEZNQCLSA-N 0 3 323.349 0.938 20 5 DCBDHN NC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337312279 415942622 /nfs/dbraw/zinc/94/26/22/415942622.db2.gz DZTFXQRZVIITRG-SNVBAGLBSA-N 0 3 321.337 0.666 20 5 DCBDHN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCCN(CCCO)C1 ZINC000297820771 415976366 /nfs/dbraw/zinc/97/63/66/415976366.db2.gz QNCQDQVPAZIDAN-LLVKDONJSA-N 0 3 323.353 0.958 20 5 DCBDHN COc1ccc(C(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000153393011 415980802 /nfs/dbraw/zinc/98/08/02/415980802.db2.gz WNAGGVCRRHTYDS-AWEZNQCLSA-N 0 3 311.338 0.646 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358052870 416178157 /nfs/dbraw/zinc/17/81/57/416178157.db2.gz GSLRMOTUANUTSE-CQSZACIVSA-N 0 3 311.313 0.459 20 5 DCBDHN COc1cc(C(=O)NC[C@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000358059551 416182764 /nfs/dbraw/zinc/18/27/64/416182764.db2.gz RRONHFFVRVOIJL-CQSZACIVSA-N 0 3 309.322 0.400 20 5 DCBDHN CN(C)CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182597208 416226148 /nfs/dbraw/zinc/22/61/48/416226148.db2.gz SJSLBBAMCFUHFE-CYBMUJFWSA-N 0 3 306.322 0.766 20 5 DCBDHN CCN(CCO)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000183953086 416250750 /nfs/dbraw/zinc/25/07/50/416250750.db2.gz LWQWYOGBUKTBLJ-UHFFFAOYSA-N 0 3 309.366 0.876 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000358703605 416270732 /nfs/dbraw/zinc/27/07/32/416270732.db2.gz HBNPFQYIMLYQMK-HNNXBMFYSA-N 0 3 322.365 0.503 20 5 DCBDHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000192187097 416301022 /nfs/dbraw/zinc/30/10/22/416301022.db2.gz XPLYIQFYZIYRBJ-PWSUYJOCSA-N 0 3 300.384 0.980 20 5 DCBDHN COCCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000193362045 416315933 /nfs/dbraw/zinc/31/59/33/416315933.db2.gz CNWOARKLFNJKDI-UHFFFAOYSA-N 0 3 317.367 0.418 20 5 DCBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246871188 416332402 /nfs/dbraw/zinc/33/24/02/416332402.db2.gz UQDSPPHFWITJOM-WCQYABFASA-N 0 3 307.354 0.734 20 5 DCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000415450298 416344251 /nfs/dbraw/zinc/34/42/51/416344251.db2.gz MWNYOCUOEDZFEG-CYBMUJFWSA-N 0 3 320.349 0.949 20 5 DCBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CNCCO1 ZINC000418764580 416389928 /nfs/dbraw/zinc/38/99/28/416389928.db2.gz KTWXVVYZYIUNHQ-CYBMUJFWSA-N 0 3 322.365 0.767 20 5 DCBDHN N[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000423723565 416549366 /nfs/dbraw/zinc/54/93/66/416549366.db2.gz LRSKHKLMJICUOJ-GFCCVEGCSA-N 0 3 319.321 1.164 20 5 DCBDHN N[C@@H]1C[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000584005448 416492229 /nfs/dbraw/zinc/49/22/29/416492229.db2.gz UGMDKURCJYTHJC-DTWKUNHWSA-N 0 3 311.729 0.391 20 5 DCBDHN CCc1n[nH]c(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000584181681 416506435 /nfs/dbraw/zinc/50/64/35/416506435.db2.gz FTUPUZAERYBUCG-CQSZACIVSA-N 0 3 323.353 0.067 20 5 DCBDHN CNc1nccc(C(=O)NCCN2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000584850951 416516543 /nfs/dbraw/zinc/51/65/43/416516543.db2.gz RESNLRNTIMVRHQ-SNVBAGLBSA-N 0 3 307.354 1.103 20 5 DCBDHN NC[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000423896598 416583719 /nfs/dbraw/zinc/58/37/19/416583719.db2.gz GRUNMQFMZJAYRM-CYBMUJFWSA-N 0 3 321.312 0.789 20 5 DCBDHN Cn1cc([C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@H]2CO)cn1 ZINC000444751254 416866479 /nfs/dbraw/zinc/86/64/79/416866479.db2.gz CQGMQGRGHNCWNC-STQMWFEESA-N 0 3 320.353 0.233 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CNC[C@@H]1CCCO1 ZINC000429967949 417009091 /nfs/dbraw/zinc/00/90/91/417009091.db2.gz GUBQTXNZZLAAIH-ZDUSSCGKSA-N 0 3 323.349 0.988 20 5 DCBDHN CCN1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450260107 417214207 /nfs/dbraw/zinc/21/42/07/417214207.db2.gz ZVVSGCYRTNZZQT-NSHDSACASA-N 0 3 308.386 1.131 20 5 DCBDHN COC(=O)c1cnc(N2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450779996 417264360 /nfs/dbraw/zinc/26/43/60/417264360.db2.gz PBJLIGVPTNIPMF-JOYOIKCWSA-N 0 3 306.322 0.917 20 5 DCBDHN O=C1NC(=O)[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000451635448 417369515 /nfs/dbraw/zinc/36/95/15/417369515.db2.gz QRJNHGHCHRTXRV-TXEJJXNPSA-N 0 3 305.290 0.178 20 5 DCBDHN CNc1nc(C(=O)N2CCN3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000455523382 417607172 /nfs/dbraw/zinc/60/71/72/417607172.db2.gz ZOZWWPZKLPWBHW-SNVBAGLBSA-N 0 3 305.338 0.952 20 5 DCBDHN O=C(CNC[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000577172335 417668861 /nfs/dbraw/zinc/66/88/61/417668861.db2.gz PUPFKMBAGRDXIY-LBPRGKRZSA-N 0 3 323.349 0.547 20 5 DCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C(C)(C)CN1CCOCC1 ZINC000412086695 262181268 /nfs/dbraw/zinc/18/12/68/262181268.db2.gz FWMMEEDLMHHVHQ-UHFFFAOYSA-N 0 3 311.386 0.834 20 5 DCBDHN CN(CCN)C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419163356 262315132 /nfs/dbraw/zinc/31/51/32/262315132.db2.gz JLLDXSDKOMTVIZ-UHFFFAOYSA-N 0 3 314.729 0.282 20 5 DCBDHN Cc1[nH]nc(C(=O)Nc2ccnn2CCN(C)C)c1[N+](=O)[O-] ZINC000359499148 271121688 /nfs/dbraw/zinc/12/16/88/271121688.db2.gz CKJWQOLNTWJPHP-UHFFFAOYSA-N 0 3 307.314 0.637 20 5 DCBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCCN1CCCO ZINC000420639467 271374012 /nfs/dbraw/zinc/37/40/12/271374012.db2.gz QDWSHPHFPCPEJW-NSHDSACASA-N 0 3 322.365 0.952 20 5 DCBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1cc([N+](=O)[O-])n[nH]1 ZINC000422778381 271384820 /nfs/dbraw/zinc/38/48/20/271384820.db2.gz HIUFTHWADUIJCE-UHFFFAOYSA-N 0 3 317.309 0.375 20 5 DCBDHN CN(C)C/C=C\C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000492363885 272126828 /nfs/dbraw/zinc/12/68/28/272126828.db2.gz LIXVMLKWOCQJBT-SQLJOLKNSA-N 0 3 323.349 0.223 20 5 DCBDHN CC[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N(C)C ZINC000457129572 276541386 /nfs/dbraw/zinc/54/13/86/276541386.db2.gz WMQBODPSHHKXCM-GFCCVEGCSA-N 0 3 321.381 0.979 20 5 DCBDHN C[C@H]1CN(CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CCCO1 ZINC000549357284 288196933 /nfs/dbraw/zinc/19/69/33/288196933.db2.gz ZNTHMARYOMSYSX-JTQLQIEISA-N 0 3 311.342 0.549 20 5 DCBDHN CN1CC[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000582721097 337124985 /nfs/dbraw/zinc/12/49/85/337124985.db2.gz UGCJUJQNEPWAFX-NSHDSACASA-N 0 3 306.322 0.744 20 5 DCBDHN COCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736990312 598500648 /nfs/dbraw/zinc/50/06/48/598500648.db2.gz MYLKJAQDKKONMU-UHFFFAOYSA-N 0 3 322.329 0.160 20 5 DCBDHN COCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736990312 598500650 /nfs/dbraw/zinc/50/06/50/598500650.db2.gz MYLKJAQDKKONMU-UHFFFAOYSA-N 0 3 322.329 0.160 20 5 DCBDHN C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736847581 598500748 /nfs/dbraw/zinc/50/07/48/598500748.db2.gz HTGZEBDIHFWHMZ-UHFFFAOYSA-N 0 3 318.341 0.924 20 5 DCBDHN C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736847581 598500750 /nfs/dbraw/zinc/50/07/50/598500750.db2.gz HTGZEBDIHFWHMZ-UHFFFAOYSA-N 0 3 318.341 0.924 20 5 DCBDHN Cc1noc(CN2CC[C@@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000934271283 658264244 /nfs/dbraw/zinc/26/42/44/658264244.db2.gz GFEPIFBPIWPTSO-VXGBXAGGSA-N 0 3 310.354 0.922 20 5 DCBDHN CS(=O)(=O)CCCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158624432 658527753 /nfs/dbraw/zinc/52/77/53/658527753.db2.gz DVFSJXFPBNPOTF-LBPRGKRZSA-N 0 3 302.352 0.653 20 5 DCBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2CCCS2(=O)=O)cc1 ZINC000158667776 661614390 /nfs/dbraw/zinc/61/43/90/661614390.db2.gz MWIPTGBWSJFMAL-OLZOCXBDSA-N 0 3 314.363 0.795 20 5 DCBDHN CN1CCC(N(CCO)C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000911940757 664127157 /nfs/dbraw/zinc/12/71/57/664127157.db2.gz VIAVXOXOORQDCT-UHFFFAOYSA-N 0 3 308.338 0.519 20 5 DCBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCN1CC[C@@H](O)C1 ZINC000863328940 667130986 /nfs/dbraw/zinc/13/09/86/667130986.db2.gz HJJIKZBJQNORKB-BOTMBNHJSA-N 0 3 305.334 0.791 20 5 DCBDHN COc1ccc(NC(=O)CN[C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000763086265 668397112 /nfs/dbraw/zinc/39/71/12/668397112.db2.gz RKUFHCPHTALCKV-GFCCVEGCSA-N 0 3 309.322 0.902 20 5 DCBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000764272262 668441753 /nfs/dbraw/zinc/44/17/53/668441753.db2.gz FCUXVZCSBFOOIL-LLVKDONJSA-N 0 3 323.353 0.691 20 5 DCBDHN C[C@H]1CN(C2CCOCC2)CCN1Cn1nccc1[N+](=O)[O-] ZINC000782898617 669130662 /nfs/dbraw/zinc/13/06/62/669130662.db2.gz MPCUVLZIUILMJU-LBPRGKRZSA-N 0 3 309.370 0.934 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880579721 669241586 /nfs/dbraw/zinc/24/15/86/669241586.db2.gz UPONNVAJAKXGJA-ZDUSSCGKSA-N 0 3 324.381 0.963 20 5 DCBDHN Cn1cc(CN2CC[C@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])n1 ZINC000934277058 669590318 /nfs/dbraw/zinc/59/03/18/669590318.db2.gz YEUZKZKGOQKBGN-STQMWFEESA-N 0 3 309.370 0.359 20 5 DCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCCC1 ZINC000808221926 670400275 /nfs/dbraw/zinc/40/02/75/670400275.db2.gz UFSNFCHJPGYXJP-CYBMUJFWSA-N 0 3 307.350 0.710 20 5 DCBDHN CNS(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813111628 670612182 /nfs/dbraw/zinc/61/21/82/670612182.db2.gz JGCJGPJVVTULKI-QMMMGPOBSA-N 0 3 302.308 0.417 20 5 DCBDHN O=C1C[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819132296 671097775 /nfs/dbraw/zinc/09/77/75/671097775.db2.gz VUYFAMXLEQAAFV-BXUZGUMPSA-N 0 3 305.334 0.981 20 5 DCBDHN Cc1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1[N+](=O)[O-] ZINC000825648490 671468638 /nfs/dbraw/zinc/46/86/38/671468638.db2.gz SRHUJLWVSPSLPK-OAHLLOKOSA-N 0 3 318.377 0.909 20 5 DCBDHN CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000845916940 672282604 /nfs/dbraw/zinc/28/26/04/672282604.db2.gz DTVISZPZSTYCNX-UHFFFAOYSA-N 0 3 316.383 0.998 20 5 DCBDHN Cc1nocc1CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072721064 694656925 /nfs/dbraw/zinc/65/69/25/694656925.db2.gz BSCVDGZLHLAKKE-CHWSQXEVSA-N 0 3 320.349 0.683 20 5 DCBDHN CN(CCNCc1nccn1C(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001691314717 1157639858 /nfs/dbraw/zinc/63/98/58/1157639858.db2.gz FXLGKOJGANHEGH-RKDXNWHRSA-N 0 3 317.296 0.491 20 5 DCBDHN CN(CCCN(C)C(=O)CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001755036154 1157909594 /nfs/dbraw/zinc/90/95/94/1157909594.db2.gz BQUYWEJXWYZXAY-UHFFFAOYSA-N 0 3 322.365 0.751 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566330763 1159972332 /nfs/dbraw/zinc/97/23/32/1159972332.db2.gz OFUWHKYETCKTRH-LDYMZIIASA-N 0 3 305.338 0.785 20 5 DCBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(OC)n1 ZINC001567332044 1160314434 /nfs/dbraw/zinc/31/44/34/1160314434.db2.gz SWNJXEYSOBHLFE-CHWSQXEVSA-N 0 3 322.365 0.694 20 5 DCBDHN C[C@@H](C(=O)NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1F ZINC001575069406 1163878374 /nfs/dbraw/zinc/87/83/74/1163878374.db2.gz LQSPISLLACCNOZ-KOLCDFICSA-N 0 3 311.313 0.942 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580667431 1165680991 /nfs/dbraw/zinc/68/09/91/1165680991.db2.gz RLPQRVOHHQHQDL-MELADBBJSA-N 0 3 305.334 0.803 20 5 DCBDHN COC[C@@](C)([NH3+])CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605044195 1169794342 /nfs/dbraw/zinc/79/43/42/1169794342.db2.gz JPMNHXVWMKWHRO-LBPRGKRZSA-N 0 3 307.314 0.551 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001609602671 1171038973 /nfs/dbraw/zinc/03/89/73/1171038973.db2.gz CFKPMXTWVBMTDP-DTORHVGOSA-N 0 3 301.310 0.431 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001609602671 1171038976 /nfs/dbraw/zinc/03/89/76/1171038976.db2.gz CFKPMXTWVBMTDP-DTORHVGOSA-N 0 3 301.310 0.431 20 5 DCBDHN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC(N[C@@H]2CCOC2)C1 ZINC001645427202 1172040652 /nfs/dbraw/zinc/04/06/52/1172040652.db2.gz ZZRYWRGKWNWRGS-SECBINFHSA-N 0 3 309.297 0.937 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@H]2COC(=O)N2)CC1 ZINC001654962142 1173814184 /nfs/dbraw/zinc/81/41/84/1173814184.db2.gz PEJHMFGTIVNCDY-GFCCVEGCSA-N 0 3 323.353 0.920 20 5 DCBDHN COc1cc(C[NH2+]CC[C@H]2CNC(=O)C2)c([N+](=O)[O-])cc1[O-] ZINC001656918398 1173895281 /nfs/dbraw/zinc/89/52/81/1173895281.db2.gz UXQBCYGYFMRLFC-SECBINFHSA-N 0 3 309.322 0.925 20 5 DCBDHN NC(=O)C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001691807622 1177364297 /nfs/dbraw/zinc/36/42/97/1177364297.db2.gz YFBWUPJJXHYCQE-HOMQSWHASA-N 0 3 306.322 0.065 20 5 DCBDHN O=C(CCn1ccnn1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126263703 748348491 /nfs/dbraw/zinc/34/84/91/748348491.db2.gz BXMWWFFJQOCBMZ-UHFFFAOYSA-N 0 3 318.337 0.482 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccc[nH]1 ZINC001154563346 758753789 /nfs/dbraw/zinc/75/37/89/758753789.db2.gz YZOPFLCTDJDONB-UHFFFAOYSA-N 0 3 306.326 0.566 20 5 DCBDHN COC(=O)[C@@H]1COCCC12CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169036175 760554953 /nfs/dbraw/zinc/55/49/53/760554953.db2.gz FQMUZSNDVNRAAQ-AGIUHOORSA-N 0 3 312.366 0.943 20 5 DCBDHN CCOC(=O)c1cnc(N[C@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170564322 763840308 /nfs/dbraw/zinc/84/03/08/763840308.db2.gz PVVNEGOGTZQHFK-SKDRFNHKSA-N 0 3 324.337 0.955 20 5 DCBDHN Cc1[nH]cnc1CC(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093777083 768735739 /nfs/dbraw/zinc/73/57/39/768735739.db2.gz VAHZCDLONHJXRS-UHFFFAOYSA-N 0 3 304.310 0.792 20 5 DCBDHN CCC(=O)NCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155801858 770622161 /nfs/dbraw/zinc/62/21/61/770622161.db2.gz DSUKNTXFUWHCBU-UHFFFAOYSA-N 0 3 322.365 0.717 20 5 DCBDHN Cc1nc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)co1 ZINC001157018292 771518077 /nfs/dbraw/zinc/51/80/77/771518077.db2.gz LKCHMLRLXKPHRL-UHFFFAOYSA-N 0 3 322.325 0.534 20 5 DCBDHN CCc1nnc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001157767435 771665827 /nfs/dbraw/zinc/66/58/27/771665827.db2.gz MUKWPWZTTNQLHS-RKDXNWHRSA-N 0 3 313.383 0.362 20 5 DCBDHN O=C1C[C@@H]2[NH2+]CC[C@]2([N-]c2ncc3cccc([N+](=O)[O-])c3n2)N1 ZINC001163243235 772489503 /nfs/dbraw/zinc/48/95/03/772489503.db2.gz RVUYYQHPQHZZDM-IINYFYTJSA-N 0 3 314.305 0.528 20 5 DCBDHN CCOc1nc(N(C2CNC2)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC001166970281 772894063 /nfs/dbraw/zinc/89/40/63/772894063.db2.gz JBQXTQVKKXSJIG-UHFFFAOYSA-N 0 3 316.339 0.126 20 5 DCBDHN COc1c([O-])ccc(C[NH2+]CC[C@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC001207485358 773217363 /nfs/dbraw/zinc/21/73/63/773217363.db2.gz QANHICZVKFNOCT-SECBINFHSA-N 0 3 309.322 0.925 20 5 DCBDHN O=C(NC/C=C/CNCc1ccc(F)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC001483007187 941774571 /nfs/dbraw/zinc/77/45/71/941774571.db2.gz GRKSXHAUGNULKV-DKZVVXNFSA-N 0 3 308.313 0.648 20 5 DCBDHN CN(CCCN(C)C(=O)C(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001280850084 944655939 /nfs/dbraw/zinc/65/59/39/944655939.db2.gz MVMSLKSCNKIFNA-UHFFFAOYSA-N 0 3 308.338 0.360 20 5 DCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC001320223052 945774975 /nfs/dbraw/zinc/77/49/75/945774975.db2.gz RFRNIQRHSZINGL-AWEZNQCLSA-N 0 3 308.338 0.433 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CNCCN1C ZINC001263076817 947803032 /nfs/dbraw/zinc/80/30/32/947803032.db2.gz KJPQLJQLAHLOAL-GFCCVEGCSA-N 0 3 308.338 0.123 20 5 DCBDHN CCn1c(CC[NH3+])nnc1Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001347219762 954049778 /nfs/dbraw/zinc/04/97/78/954049778.db2.gz QFGBREPWACKYGU-UHFFFAOYSA-N 0 3 310.339 0.959 20 5 DCBDHN O=c1c(Br)cn(C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001350007018 954963541 /nfs/dbraw/zinc/96/35/41/954963541.db2.gz RVWJVDMDIOQMBT-ZETCQYMHSA-N 0 3 318.127 0.507 20 5 DCBDHN O=[N+]([O-])c1c(N2CC(N[C@H]3CCOC3)C2)nc2ccccn21 ZINC001472888685 956557492 /nfs/dbraw/zinc/55/74/92/956557492.db2.gz LJLBAJJMFDGPBO-JTQLQIEISA-N 0 3 303.322 0.810 20 5 DCBDHN CNc1c(C(=O)N[C@H](CO)CN2CCCC2)cccc1[N+](=O)[O-] ZINC001298752559 958702233 /nfs/dbraw/zinc/70/22/33/958702233.db2.gz VBPDBWUMWNGGLZ-NSHDSACASA-N 0 3 322.365 0.823 20 5 DCBDHN CN(C)CCn1nccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001450406034 1015120484 /nfs/dbraw/zinc/12/04/84/1015120484.db2.gz FBEKTKOIUNWKEF-UHFFFAOYSA-N 0 3 319.325 0.582 20 5 DCBDHN CC1(C)CCCN1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001468935325 1016293434 /nfs/dbraw/zinc/29/34/34/1016293434.db2.gz QGGYDPZDXYXEJY-UHFFFAOYSA-N 0 3 322.365 0.747 20 5 DCBDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2cn(C)nc2[N+](=O)[O-])C1 ZINC001460406888 1012904209 /nfs/dbraw/zinc/90/42/09/1012904209.db2.gz QMOZFYUPONYNAX-RAIGVLPGSA-N 0 3 312.370 0.984 20 5 DCBDHN O=C(NCC1(O)CN(CC2CC3(CCC3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001500834306 1018683853 /nfs/dbraw/zinc/68/38/53/1018683853.db2.gz MXEJFTCPPUIVJU-CHWSQXEVSA-N 0 3 323.393 0.395 20 5 DCBDHN CCc1n[nH]c(C(=O)NCCN(C)CCCOC)c1[N+](=O)[O-] ZINC000173563089 198227822 /nfs/dbraw/zinc/22/78/22/198227822.db2.gz TUSLVWLVIMVUJB-UHFFFAOYSA-N 0 3 313.358 0.578 20 5 DCBDHN CCOc1cccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000566490496 291307939 /nfs/dbraw/zinc/30/79/39/291307939.db2.gz KBMXDAYOIUOPJX-QWRGUYRKSA-N 0 3 320.349 0.742 20 5 DCBDHN COc1cc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000347552188 254167085 /nfs/dbraw/zinc/16/70/85/254167085.db2.gz GOKMCTRMSOOROJ-ZWNOBZJWSA-N 0 3 321.337 0.907 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000347610319 254171550 /nfs/dbraw/zinc/17/15/50/254171550.db2.gz WYKXWBGXAVRINR-LLVKDONJSA-N 0 3 307.354 0.843 20 5 DCBDHN COC(=O)CC[C@@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000289731621 221187213 /nfs/dbraw/zinc/18/72/13/221187213.db2.gz GQNIXJHXSKZGDU-SECBINFHSA-N 0 3 321.293 0.690 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108300947 395788021 /nfs/dbraw/zinc/78/80/21/395788021.db2.gz AMJCRFJXLVFHEY-LBPRGKRZSA-N 0 3 320.349 0.357 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCCN(C)C1 ZINC000108328538 395789319 /nfs/dbraw/zinc/78/93/19/395789319.db2.gz YPZHCHQXPBLYQT-GFCCVEGCSA-N 0 3 309.370 0.948 20 5 DCBDHN CN(CC1CCN(C)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000103450177 395773065 /nfs/dbraw/zinc/77/30/65/395773065.db2.gz MSDZNGDPKLXJCS-UHFFFAOYSA-N 0 3 309.370 0.982 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](O)C1 ZINC000114470027 395835003 /nfs/dbraw/zinc/83/50/03/395835003.db2.gz PBZAZZZKEPETHF-NSHDSACASA-N 0 3 309.322 0.999 20 5 DCBDHN COCCNCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237163951 395905237 /nfs/dbraw/zinc/90/52/37/395905237.db2.gz NIBVKYOCTAGAPH-UHFFFAOYSA-N 0 3 322.365 0.479 20 5 DCBDHN CO[C@H](CN)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000262523123 396150223 /nfs/dbraw/zinc/15/02/23/396150223.db2.gz OLOQOLDBJKRIHM-CYBMUJFWSA-N 0 3 308.338 0.217 20 5 DCBDHN C[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CN1C1CC1 ZINC000177188931 396169469 /nfs/dbraw/zinc/16/94/69/396169469.db2.gz SBTOMTORYABSDP-WDEREUQCSA-N 0 3 320.349 0.498 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]1CN1CCCCC1 ZINC000075505707 396180923 /nfs/dbraw/zinc/18/09/23/396180923.db2.gz YMZFGXKJDORJLP-GFCCVEGCSA-N 0 3 322.369 0.663 20 5 DCBDHN CN(CC1CCN(C)CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000264063356 396253028 /nfs/dbraw/zinc/25/30/28/396253028.db2.gz MKLDRKLYMSCECM-UHFFFAOYSA-N 0 3 322.365 0.557 20 5 DCBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184443678 396295932 /nfs/dbraw/zinc/29/59/32/396295932.db2.gz RVAWZCLVECTZPL-UHFFFAOYSA-N 0 3 310.354 0.875 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCC(Cn3cncn3)CC2)c1 ZINC000186243960 396346380 /nfs/dbraw/zinc/34/63/80/396346380.db2.gz AWLBNFWLALFIQN-UHFFFAOYSA-N 0 3 305.342 0.795 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286241969 396382932 /nfs/dbraw/zinc/38/29/32/396382932.db2.gz YYTSMEQHZZNOIC-JTQLQIEISA-N 0 3 310.358 0.074 20 5 DCBDHN C[C@@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCO1 ZINC000286422385 396394530 /nfs/dbraw/zinc/39/45/30/396394530.db2.gz GJXXGOBNAIQUKF-SNVBAGLBSA-N 0 3 311.342 0.549 20 5 DCBDHN O=C(CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1 ZINC000580887654 396507862 /nfs/dbraw/zinc/50/78/62/396507862.db2.gz CMESHPLQQIYJPA-CYBMUJFWSA-N 0 3 319.321 0.381 20 5 DCBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000288423962 396446915 /nfs/dbraw/zinc/44/69/15/396446915.db2.gz NXQUNSPWKOTDAL-NWDGAFQWSA-N 0 3 307.354 0.877 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290850014 396474132 /nfs/dbraw/zinc/47/41/32/396474132.db2.gz XGAVCUAJHIZCFB-GZMMTYOYSA-N 0 3 305.338 0.983 20 5 DCBDHN CON(C)C(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000291825283 396514568 /nfs/dbraw/zinc/51/45/68/396514568.db2.gz OAKVGJRXRQICKR-UHFFFAOYSA-N 0 3 311.342 0.523 20 5 DCBDHN CCN1C[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000580064433 396485310 /nfs/dbraw/zinc/48/53/10/396485310.db2.gz CXHJKLMHYZFEOL-AAEUAGOBSA-N 0 3 323.349 0.545 20 5 DCBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000595104047 396548804 /nfs/dbraw/zinc/54/88/04/396548804.db2.gz DAISHZKFPBOACT-VHSXEESVSA-N 0 3 314.367 0.656 20 5 DCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860773 396695515 /nfs/dbraw/zinc/69/55/15/396695515.db2.gz LGNNASHSUNDVQG-LSDHHAIUSA-N 0 3 319.361 0.805 20 5 DCBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588860129 396695561 /nfs/dbraw/zinc/69/55/61/396695561.db2.gz DXSONEYXJHTPMU-KBPBESRZSA-N 0 3 319.361 0.805 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000588863870 396697173 /nfs/dbraw/zinc/69/71/73/396697173.db2.gz ZDAMTKYKEBCBQG-SECBINFHSA-N 0 3 301.730 0.901 20 5 DCBDHN C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000596224277 396736539 /nfs/dbraw/zinc/73/65/39/396736539.db2.gz YOTKKUMITIQINE-SNVBAGLBSA-N 0 3 310.354 0.977 20 5 DCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610808395 396766202 /nfs/dbraw/zinc/76/62/02/396766202.db2.gz HMQIZKQDYLIHQO-CYBMUJFWSA-N 0 3 319.365 0.733 20 5 DCBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000564854916 396883493 /nfs/dbraw/zinc/88/34/93/396883493.db2.gz QCJYOAPSEQPCFG-QWRGUYRKSA-N 0 3 311.338 0.401 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccn3ccnc3c2)c1 ZINC000591754398 396997151 /nfs/dbraw/zinc/99/71/51/396997151.db2.gz IYLVHRZAQYSCDT-ZDUSSCGKSA-N 0 3 316.321 0.590 20 5 DCBDHN O=C(C[C@H]1CNCCO1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572997738 397122785 /nfs/dbraw/zinc/12/27/85/397122785.db2.gz LPPKHOQUWNHBAI-ZDUSSCGKSA-N 0 3 309.322 0.468 20 5 DCBDHN COC(=O)[C@H]1CNCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000592490522 397191918 /nfs/dbraw/zinc/19/19/18/397191918.db2.gz YWHDMUAPNAKFBU-CQSZACIVSA-N 0 3 323.349 0.811 20 5 DCBDHN COc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000386878165 397290994 /nfs/dbraw/zinc/29/09/94/397290994.db2.gz DZJJIJSVMYHWMM-CYBMUJFWSA-N 0 3 306.322 0.951 20 5 DCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000577443597 397332226 /nfs/dbraw/zinc/33/22/26/397332226.db2.gz UIXZEVAABCBQPT-LLVKDONJSA-N 0 3 322.365 0.699 20 5 DCBDHN NC(=O)[C@@H]1CCCN1CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000599131334 397345356 /nfs/dbraw/zinc/34/53/56/397345356.db2.gz UVSKPYQZVHPGEH-JTQLQIEISA-N 0 3 309.326 0.447 20 5 DCBDHN NC[C@@H]1CCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000577999501 397377778 /nfs/dbraw/zinc/37/77/78/397377778.db2.gz NKGYCDFHVPYANT-LBPRGKRZSA-N 0 3 306.322 0.161 20 5 DCBDHN CN(CCN1CCCCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000593884576 397466763 /nfs/dbraw/zinc/46/67/63/397466763.db2.gz RRWHLUTYABLJRQ-UHFFFAOYSA-N 0 3 322.365 0.701 20 5 DCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@]1(O)CN2CCC1CC2 ZINC000578910968 397501951 /nfs/dbraw/zinc/50/19/51/397501951.db2.gz YUKYIJDRYUMULD-MRXNPFEDSA-N 0 3 319.361 0.710 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594197266 397512197 /nfs/dbraw/zinc/51/21/97/397512197.db2.gz BLGXCFLSJAXGHI-WDEREUQCSA-N 0 3 308.342 0.319 20 5 DCBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCN(C)CC1 ZINC000599985306 397557899 /nfs/dbraw/zinc/55/78/99/397557899.db2.gz BWHDMEXRFZYAPK-UHFFFAOYSA-N 0 3 322.365 0.699 20 5 DCBDHN CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602904100 397519280 /nfs/dbraw/zinc/51/92/80/397519280.db2.gz ISVICUMOEUFGIF-AWEZNQCLSA-N 0 3 322.365 0.532 20 5 DCBDHN COc1cc(S(=O)(=O)N[C@@H]2CCCNC2)ccc1[N+](=O)[O-] ZINC000122898015 158225398 /nfs/dbraw/zinc/22/53/98/158225398.db2.gz FVCCUJNGIOOHIS-SECBINFHSA-N 0 3 315.351 0.634 20 5 DCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000318437070 159006698 /nfs/dbraw/zinc/00/66/98/159006698.db2.gz XTVMZIVLIRETQZ-JTQLQIEISA-N 0 3 305.338 0.882 20 5 DCBDHN COC(=O)C[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246453900 287083494 /nfs/dbraw/zinc/08/34/94/287083494.db2.gz FCLGNOYTVILFRD-ZYHUDNBSSA-N 0 3 312.326 0.180 20 5 DCBDHN NC1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000353760001 415647122 /nfs/dbraw/zinc/64/71/22/415647122.db2.gz PAKLENLSUXKRDZ-UHFFFAOYSA-N 0 3 305.294 0.918 20 5 DCBDHN CO[C@@H]1C[C@H](CN(C)c2cccc(C(N)=O)c2[N+](=O)[O-])N(C)C1 ZINC000343876908 415761498 /nfs/dbraw/zinc/76/14/98/415761498.db2.gz WGNZMXOIPLWWSM-GHMZBOCLSA-N 0 3 322.365 0.849 20 5 DCBDHN CN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000120763088 415781430 /nfs/dbraw/zinc/78/14/30/415781430.db2.gz GTWRYOIZPRXMKZ-VBROQKIQSA-N 0 3 304.350 0.709 20 5 DCBDHN COC[C@](C)(N)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345158084 416055395 /nfs/dbraw/zinc/05/53/95/416055395.db2.gz DDBRAMXMGVWKTM-GFCCVEGCSA-N 0 3 317.367 0.774 20 5 DCBDHN CN(CCc1cnccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000357046102 416025097 /nfs/dbraw/zinc/02/50/97/416025097.db2.gz ULZJQVGDHMOYPY-ZDUSSCGKSA-N 0 3 306.326 0.117 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000358041191 416175412 /nfs/dbraw/zinc/17/54/12/416175412.db2.gz GCXVXGQZLRNLDX-HNNXBMFYSA-N 0 3 318.333 0.873 20 5 DCBDHN NS(=O)(=O)c1cccc(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000183728527 416248770 /nfs/dbraw/zinc/24/87/70/416248770.db2.gz JRGKMNDRBYUSFL-UHFFFAOYSA-N 0 3 314.367 0.750 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358421061 416235990 /nfs/dbraw/zinc/23/59/90/416235990.db2.gz CQVGFAILECXHNF-CQSZACIVSA-N 0 3 324.337 0.792 20 5 DCBDHN CN(C)CC[C@@](C)(O)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000352112547 416289190 /nfs/dbraw/zinc/28/91/90/416289190.db2.gz UFRVTVVYEPZTNG-OAHLLOKOSA-N 0 3 309.366 0.956 20 5 DCBDHN COc1ccc(NC(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415445572 416343744 /nfs/dbraw/zinc/34/37/44/416343744.db2.gz SIVAULQDXLSJHE-JTQLQIEISA-N 0 3 310.310 0.713 20 5 DCBDHN CN1CC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000416496116 416372348 /nfs/dbraw/zinc/37/23/48/416372348.db2.gz NVESDHZHPGRSBB-LBPRGKRZSA-N 0 3 313.379 0.966 20 5 DCBDHN CN(CCN)C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423103377 416467041 /nfs/dbraw/zinc/46/70/41/416467041.db2.gz PGVHYGCBSBNRFW-UHFFFAOYSA-N 0 3 320.349 0.503 20 5 DCBDHN CN(C)C[C@@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000532677772 416450708 /nfs/dbraw/zinc/45/07/08/416450708.db2.gz RTZBGQYBDNWXMO-LBPRGKRZSA-N 0 3 322.365 0.699 20 5 DCBDHN N[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000423723567 416549452 /nfs/dbraw/zinc/54/94/52/416549452.db2.gz LRSKHKLMJICUOJ-LBPRGKRZSA-N 0 3 319.321 1.164 20 5 DCBDHN COCCNCCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000440827816 416649586 /nfs/dbraw/zinc/64/95/86/416649586.db2.gz ANUYGVKIPKDOON-UHFFFAOYSA-N 0 3 317.367 0.418 20 5 DCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000514744703 416674602 /nfs/dbraw/zinc/67/46/02/416674602.db2.gz NYKWBSPCJPRFJS-SNVBAGLBSA-N 0 3 323.353 0.094 20 5 DCBDHN N[C@H]1C[C@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000565239888 416955306 /nfs/dbraw/zinc/95/53/06/416955306.db2.gz NMWBLBPILRZDFH-RYUDHWBXSA-N 0 3 324.768 0.992 20 5 DCBDHN C[C@H]1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000525804194 417151434 /nfs/dbraw/zinc/15/14/34/417151434.db2.gz LROCQNOPEVTFDA-NSHDSACASA-N 0 3 308.338 0.215 20 5 DCBDHN CNc1nccc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000568899156 417192778 /nfs/dbraw/zinc/19/27/78/417192778.db2.gz PAYVEDXEPNOVLH-LLVKDONJSA-N 0 3 319.365 1.342 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CNCCO1 ZINC000414659562 417292741 /nfs/dbraw/zinc/29/27/41/417292741.db2.gz TURHZKNZDUAEDR-JTQLQIEISA-N 0 3 310.310 0.713 20 5 DCBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000570201923 417325007 /nfs/dbraw/zinc/32/50/07/417325007.db2.gz NMAIOLABFIVNSE-PWSUYJOCSA-N 0 3 311.338 0.401 20 5 DCBDHN COc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000570223788 417326782 /nfs/dbraw/zinc/32/67/82/417326782.db2.gz FKQNIJCKVZAMBK-RYUDHWBXSA-N 0 3 309.322 0.350 20 5 DCBDHN O=C(NC[C@H]1CCCN1CCCO)Nc1ccncc1[N+](=O)[O-] ZINC000455032280 417590624 /nfs/dbraw/zinc/59/06/24/417590624.db2.gz BIJOTVDWCHJCBO-LLVKDONJSA-N 0 3 323.353 0.380 20 5 DCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C(C)(C)CN1CCOCC1 ZINC000412085089 262181623 /nfs/dbraw/zinc/18/16/23/262181623.db2.gz CYAXUYSEGKTNNG-UHFFFAOYSA-N 0 3 311.386 0.834 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOCC3(CCC3)C2)c1 ZINC000363886165 271207236 /nfs/dbraw/zinc/20/72/36/271207236.db2.gz JQWPSGGFRRFUFX-CYBMUJFWSA-N 0 3 310.354 0.655 20 5 DCBDHN NCCNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419829632 271330582 /nfs/dbraw/zinc/33/05/82/271330582.db2.gz DVTZKZMLVDJDEF-UHFFFAOYSA-N 0 3 306.322 0.161 20 5 DCBDHN NS(=O)(=O)CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488721536 272048548 /nfs/dbraw/zinc/04/85/48/272048548.db2.gz MKTIJOUUIZNEIH-UHFFFAOYSA-N 0 3 317.371 0.107 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000492561459 272134992 /nfs/dbraw/zinc/13/49/92/272134992.db2.gz KGSNVYBKOOIFJX-LLYBFZRZSA-N 0 3 305.334 0.791 20 5 DCBDHN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C ZINC000564353525 288740007 /nfs/dbraw/zinc/74/00/07/288740007.db2.gz CZYHSZNRSKQRKS-LLVKDONJSA-N 0 3 322.365 0.320 20 5 DCBDHN COc1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000565434361 288852523 /nfs/dbraw/zinc/85/25/23/288852523.db2.gz ZGAJTJYXMINRJZ-QWRGUYRKSA-N 0 3 306.322 0.352 20 5 DCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000570464696 332759903 /nfs/dbraw/zinc/75/99/03/332759903.db2.gz TYOPFNGINVMEDN-GHMZBOCLSA-N 0 3 318.333 0.287 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000580368956 336260943 /nfs/dbraw/zinc/26/09/43/336260943.db2.gz PBGSMWHRXCMHRW-OAHLLOKOSA-N 0 3 320.349 0.364 20 5 DCBDHN CC(C)(N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236778541 519293053 /nfs/dbraw/zinc/29/30/53/519293053.db2.gz DJPZWFVXBHZGAV-UHFFFAOYSA-N 0 3 320.349 0.617 20 5 DCBDHN CN(C)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000131088116 521782990 /nfs/dbraw/zinc/78/29/90/521782990.db2.gz KDSOQKBXQVROBI-UHFFFAOYSA-N 0 3 304.306 0.728 20 5 DCBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000893754074 661404658 /nfs/dbraw/zinc/40/46/58/661404658.db2.gz VVKXTFQLLBBMNU-OLZOCXBDSA-N 0 3 322.369 0.669 20 5 DCBDHN CN(CCO)CCN(C)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000894590561 661985176 /nfs/dbraw/zinc/98/51/76/661985176.db2.gz HUERSYSHOFEHKJ-UHFFFAOYSA-N 0 3 301.318 0.587 20 5 DCBDHN C[C@H](NC[C@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285311 663451204 /nfs/dbraw/zinc/45/12/04/663451204.db2.gz IRTAEYJUVVYHFS-WFASDCNBSA-N 0 3 309.366 0.939 20 5 DCBDHN Cc1c(CNC[C@]2(CO)COCCN2C)cccc1[N+](=O)[O-] ZINC000922533828 666476658 /nfs/dbraw/zinc/47/66/58/666476658.db2.gz FFGPTQUEQADION-HNNXBMFYSA-N 0 3 309.366 0.686 20 5 DCBDHN O=C(N[C@H]1CC[C@H](NCc2cnon2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644145 667089663 /nfs/dbraw/zinc/08/96/63/667089663.db2.gz CYPSUGIUXYVQPR-CNVPUSNMSA-N 0 3 309.326 0.252 20 5 DCBDHN CC(COC(=O)CCNS(=O)(=O)c1cccs1)[N+](=O)[O-] ZINC000813110373 670611688 /nfs/dbraw/zinc/61/16/88/670611688.db2.gz YZJLGPHMXQPSQG-MRVPVSSYSA-N 0 3 322.364 0.625 20 5 DCBDHN CC(COC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)[N+](=O)[O-] ZINC000851037466 670963140 /nfs/dbraw/zinc/96/31/40/670963140.db2.gz YONNYOHOXXJAIC-CLAHSXSESA-N 0 3 321.289 0.563 20 5 DCBDHN CS(=O)(=O)CCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000818963504 671080679 /nfs/dbraw/zinc/08/06/79/671080679.db2.gz UWHAPNIKQQIZRD-UHFFFAOYSA-N 0 3 315.351 0.558 20 5 DCBDHN CN(CC1CN(C)C1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000853553472 671243641 /nfs/dbraw/zinc/24/36/41/671243641.db2.gz OROJNFOEOIPRNC-UHFFFAOYSA-N 0 3 306.322 0.954 20 5 DCBDHN CCOC(=O)C[C@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843078364 672059495 /nfs/dbraw/zinc/05/94/95/672059495.db2.gz YEDQGLOMCKQJKD-YPMHNXCESA-N 0 3 312.322 0.532 20 5 DCBDHN Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H]3CNCCO3)n2)n1C ZINC000843221894 672071679 /nfs/dbraw/zinc/07/16/79/672071679.db2.gz NCIWRQGBXISZPI-QMMMGPOBSA-N 0 3 308.298 0.218 20 5 DCBDHN CN(C)CCN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1=O ZINC000844375066 672178324 /nfs/dbraw/zinc/17/83/24/672178324.db2.gz CQBIQTZANNRESQ-UHFFFAOYSA-N 0 3 324.356 0.940 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(CCN(C)C)C(=O)C2)n1 ZINC000845635701 672267965 /nfs/dbraw/zinc/26/79/65/672267965.db2.gz PNCFTNWCMHMYJO-UHFFFAOYSA-N 0 3 307.354 0.508 20 5 DCBDHN CCNC(=O)CC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001691299330 1157634228 /nfs/dbraw/zinc/63/42/28/1157634228.db2.gz SIVOVPBCRDLQFE-UHFFFAOYSA-N 0 3 322.365 0.669 20 5 DCBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cnnn1C ZINC001691303581 1157636117 /nfs/dbraw/zinc/63/61/17/1157636117.db2.gz ADUMIIFJSUKYAF-UHFFFAOYSA-N 0 3 318.337 0.585 20 5 DCBDHN CN(CCNC(=O)Cc1nnc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001567314242 1160306441 /nfs/dbraw/zinc/30/64/41/1160306441.db2.gz UPJLCOATHKTEPW-UHFFFAOYSA-N 0 3 318.337 0.504 20 5 DCBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cnon1 ZINC001567577873 1160428098 /nfs/dbraw/zinc/42/80/98/1160428098.db2.gz HXDJSKNVVAYNRX-UHFFFAOYSA-N 0 3 305.294 0.840 20 5 DCBDHN CC(C)(C(=O)NC[C@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001575092458 1163889910 /nfs/dbraw/zinc/88/99/10/1163889910.db2.gz NFXHFFNPNGNCHW-LLVKDONJSA-N 0 3 307.350 0.977 20 5 DCBDHN C[N@H+]1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196800 1167148877 /nfs/dbraw/zinc/14/88/77/1167148877.db2.gz ZXRVNVSTYJDLTL-PHIMTYICSA-N 0 3 315.337 0.773 20 5 DCBDHN C[N@@H+]1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196800 1167148882 /nfs/dbraw/zinc/14/88/82/1167148882.db2.gz ZXRVNVSTYJDLTL-PHIMTYICSA-N 0 3 315.337 0.773 20 5 DCBDHN C[N@H+]1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196800 1167148885 /nfs/dbraw/zinc/14/88/85/1167148885.db2.gz ZXRVNVSTYJDLTL-PHIMTYICSA-N 0 3 315.337 0.773 20 5 DCBDHN C[N@@H+]1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196800 1167148889 /nfs/dbraw/zinc/14/88/89/1167148889.db2.gz ZXRVNVSTYJDLTL-PHIMTYICSA-N 0 3 315.337 0.773 20 5 DCBDHN C[NH+](C)C[C@@H](O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604680938 1169654673 /nfs/dbraw/zinc/65/46/73/1169654673.db2.gz RPUSUVQKPRKLOV-VIFPVBQESA-N 0 3 307.314 0.109 20 5 DCBDHN C[NH+](C)C[C@@H](O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604680938 1169654676 /nfs/dbraw/zinc/65/46/76/1169654676.db2.gz RPUSUVQKPRKLOV-VIFPVBQESA-N 0 3 307.314 0.109 20 5 DCBDHN CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604686582 1169656551 /nfs/dbraw/zinc/65/65/51/1169656551.db2.gz QLQWQBZEGUNEBL-UHFFFAOYSA-N 0 3 306.330 0.355 20 5 DCBDHN CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604686582 1169656552 /nfs/dbraw/zinc/65/65/52/1169656552.db2.gz QLQWQBZEGUNEBL-UHFFFAOYSA-N 0 3 306.330 0.355 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001607079145 1170382838 /nfs/dbraw/zinc/38/28/38/1170382838.db2.gz KETUEEYANRFQDT-UWVGGRQHSA-N 0 3 301.310 0.431 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001607079145 1170382842 /nfs/dbraw/zinc/38/28/42/1170382842.db2.gz KETUEEYANRFQDT-UWVGGRQHSA-N 0 3 301.310 0.431 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnoc1C ZINC001714654301 1181463584 /nfs/dbraw/zinc/46/35/84/1181463584.db2.gz UHGBEKDZKSPRLR-CHWSQXEVSA-N 0 3 310.354 0.976 20 5 DCBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1nnc[nH]1 ZINC001714781608 1181542433 /nfs/dbraw/zinc/54/24/33/1181542433.db2.gz QKXTVNAYASGFBZ-UHFFFAOYSA-N 0 3 318.337 0.504 20 5 DCBDHN O=C(C1CC1)N(CCO)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001717043532 1182641367 /nfs/dbraw/zinc/64/13/67/1182641367.db2.gz NWXBUARISBIYQT-UHFFFAOYSA-N 0 3 307.350 0.915 20 5 DCBDHN NC(=O)C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001753667936 1188637462 /nfs/dbraw/zinc/63/74/62/1188637462.db2.gz ONYIPDBOWGJOAZ-UHFFFAOYSA-N 0 3 320.349 0.599 20 5 DCBDHN Cn1nccc1CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126393002 748691611 /nfs/dbraw/zinc/69/16/11/748691611.db2.gz IGHFZBGCVVIAHK-UHFFFAOYSA-N 0 3 317.349 0.777 20 5 DCBDHN Cc1cnc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)o1 ZINC001048814491 754957297 /nfs/dbraw/zinc/95/72/97/754957297.db2.gz OEZWRRPCVPMMBM-YVECIDJPSA-N 0 3 320.349 0.538 20 5 DCBDHN Nc1nccnc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125029398 768341802 /nfs/dbraw/zinc/34/18/02/768341802.db2.gz UBVJLHVTXVNMMA-UHFFFAOYSA-N 0 3 316.321 0.487 20 5 DCBDHN CN(CCO)CCN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001149204478 768716060 /nfs/dbraw/zinc/71/60/60/768716060.db2.gz HBDBKIRUCMYSLF-UHFFFAOYSA-N 0 3 321.337 0.467 20 5 DCBDHN CC[N@H+](C)CCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093840309 768741964 /nfs/dbraw/zinc/74/19/64/768741964.db2.gz GPCWLSSFUWPJML-UHFFFAOYSA-N 0 3 311.342 0.565 20 5 DCBDHN CC[N@@H+](C)CCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093840309 768741967 /nfs/dbraw/zinc/74/19/67/768741967.db2.gz GPCWLSSFUWPJML-UHFFFAOYSA-N 0 3 311.342 0.565 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)/C=C/C1CC1 ZINC001156166008 770737284 /nfs/dbraw/zinc/73/72/84/770737284.db2.gz RGFCZNSOOHKLRM-AATRIKPKSA-N 0 3 307.354 0.890 20 5 DCBDHN CNC(=O)NCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001159341084 771898877 /nfs/dbraw/zinc/89/88/77/771898877.db2.gz JTZAMMAYYBEAHC-UHFFFAOYSA-N 0 3 323.353 0.120 20 5 DCBDHN CN1CCN(CC2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC001159367136 771902248 /nfs/dbraw/zinc/90/22/48/771902248.db2.gz WMTFITHVEIVMHN-UHFFFAOYSA-N 0 3 307.354 0.242 20 5 DCBDHN C[C@@H](Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@H]1CNCCO1 ZINC001159500212 771920463 /nfs/dbraw/zinc/92/04/63/771920463.db2.gz QXRVEFPBOIQKRQ-VXNVDRBHSA-N 0 3 302.718 0.670 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cnco1 ZINC001163529416 772536151 /nfs/dbraw/zinc/53/61/51/772536151.db2.gz ZKYFQAIUXHDMFC-UHFFFAOYSA-N 0 3 308.298 0.226 20 5 DCBDHN CN(c1ccc2cc([N+](=O)[O-])ccc2n1)S(=O)(=O)CCN ZINC001164287238 772637254 /nfs/dbraw/zinc/63/72/54/772637254.db2.gz NXBFJDAVMRNBOV-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN NC(=O)C(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001166923867 772880986 /nfs/dbraw/zinc/88/09/86/772880986.db2.gz QSRASFPRHVLERC-UHFFFAOYSA-N 0 3 320.349 0.456 20 5 DCBDHN CS(=O)(=O)N(c1cc(Cl)cc([N+](=O)[O-])n1)C1CNC1 ZINC001166969462 772893296 /nfs/dbraw/zinc/89/32/96/772893296.db2.gz SRBJAXMQGBNEST-UHFFFAOYSA-N 0 3 306.731 0.381 20 5 DCBDHN C[C@H](N)C(=O)N[C@@H](C)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001205168226 772981518 /nfs/dbraw/zinc/98/15/18/772981518.db2.gz BBYQCTBSIAQCBT-WDSKDSINSA-N 0 3 324.272 0.703 20 5 DCBDHN Cc1nnc(CN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)[nH]1 ZINC001267257830 939405798 /nfs/dbraw/zinc/40/57/98/939405798.db2.gz WZNSFEWOAIBCFN-VXGBXAGGSA-N 0 3 324.385 0.495 20 5 DCBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCN(CC2CC2)C1 ZINC001320009693 945718359 /nfs/dbraw/zinc/71/83/59/945718359.db2.gz KJSDPNURTYVWMR-GFCCVEGCSA-N 0 3 320.349 0.357 20 5 DCBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCOCC1 ZINC001254580730 946412648 /nfs/dbraw/zinc/41/26/48/946412648.db2.gz DZNMLFIKZHMBCS-ZDUSSCGKSA-N 0 3 305.334 0.510 20 5 DCBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1COC2(CNC2)C1 ZINC001263155682 947814104 /nfs/dbraw/zinc/81/41/04/947814104.db2.gz CPONTNCDJSOIOH-LBPRGKRZSA-N 0 3 305.334 0.775 20 5 DCBDHN CC(COC(=O)c1cc(=O)n(C)cc1Br)[N+](=O)[O-] ZINC001343650328 953362334 /nfs/dbraw/zinc/36/23/34/953362334.db2.gz MTNMXJPTWWTFGM-ZCFIWIBFSA-N 0 3 319.111 0.970 20 5 DCBDHN COc1c(C(=O)N2CC(N[C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001456303359 1010181759 /nfs/dbraw/zinc/18/17/59/1010181759.db2.gz LRSBXGYYZAZAEU-JTQLQIEISA-N 0 3 321.333 0.806 20 5 DCBDHN COC(=O)c1cnc(NC[C@@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC001458563163 1012218056 /nfs/dbraw/zinc/21/80/56/1012218056.db2.gz JQUVADJNOFZUFN-SECBINFHSA-N 0 3 312.351 0.893 20 5 DCBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184602227 529965711 /nfs/dbraw/zinc/96/57/11/529965711.db2.gz FMYCVCROGBNMAX-JTQLQIEISA-N 0 3 307.354 0.986 20 5 DCBDHN Cc1c(NC(=O)C(=O)N(C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000154830297 291216188 /nfs/dbraw/zinc/21/61/88/291216188.db2.gz FAPNXZNVYNFJBG-UHFFFAOYSA-N 0 3 308.338 0.862 20 5 DCBDHN CN(C[C@@H]1CCCN1C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000421704301 240099040 /nfs/dbraw/zinc/09/90/40/240099040.db2.gz OEXRKTJLGUNSOY-NSHDSACASA-N 0 3 308.338 0.309 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000493763928 241152023 /nfs/dbraw/zinc/15/20/23/241152023.db2.gz YIVYXTBGFZLIDK-NSDHSQQOSA-N 0 3 305.334 0.741 20 5 DCBDHN CCN1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000264867340 204222528 /nfs/dbraw/zinc/22/25/28/204222528.db2.gz GBAFBBYOMIBQEN-UHFFFAOYSA-N 0 3 306.366 0.962 20 5 DCBDHN CCN(C)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264894021 204247680 /nfs/dbraw/zinc/24/76/80/204247680.db2.gz KIFPNEUKSOIXFG-UHFFFAOYSA-N 0 3 322.365 0.783 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]CC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000063170830 184275584 /nfs/dbraw/zinc/27/55/84/184275584.db2.gz BJNQZOUASAUYDB-QMMMGPOBSA-N 0 3 303.340 0.619 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1COC[C@H]1O ZINC000285720880 131195985 /nfs/dbraw/zinc/19/59/85/131195985.db2.gz WYIHYCJQYFLWPO-ZIAGYGMSSA-N 0 3 323.349 0.923 20 5 DCBDHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193586883 395772634 /nfs/dbraw/zinc/77/26/34/395772634.db2.gz ABPJABGSZBUFGF-UHIISALHSA-N 0 3 323.349 0.449 20 5 DCBDHN CCN1CCN(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000112918178 395825672 /nfs/dbraw/zinc/82/56/72/395825672.db2.gz VNMORTWVSQBPKF-UHFFFAOYSA-N 0 3 321.381 0.544 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000061648888 395969480 /nfs/dbraw/zinc/96/94/80/395969480.db2.gz JRPRLNYFROGAJJ-NWDGAFQWSA-N 0 3 323.353 0.079 20 5 DCBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000252403150 396018966 /nfs/dbraw/zinc/01/89/66/396018966.db2.gz BAYBKANXXXDJDX-IWIIMEHWSA-N 0 3 311.363 0.708 20 5 DCBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000252403936 396019303 /nfs/dbraw/zinc/01/93/03/396019303.db2.gz BXUHIDJHJQAMPM-VROVMSAKSA-N 0 3 317.754 0.744 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1NCCc2ccccc21 ZINC000262406964 396136903 /nfs/dbraw/zinc/13/69/03/396136903.db2.gz QERKTICWWWSXJB-GFCCVEGCSA-N 0 3 316.321 0.190 20 5 DCBDHN CC(C)CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075586606 396181760 /nfs/dbraw/zinc/18/17/60/396181760.db2.gz AULGLODJEXWWCR-AWEZNQCLSA-N 0 3 311.386 0.426 20 5 DCBDHN CN(C)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000264495886 396285050 /nfs/dbraw/zinc/28/50/50/396285050.db2.gz XDEYCEOGGNMBLG-NSHDSACASA-N 0 3 308.338 0.309 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000184384808 396293308 /nfs/dbraw/zinc/29/33/08/396293308.db2.gz NKKBWXHJMSKOGG-NSHDSACASA-N 0 3 310.354 0.944 20 5 DCBDHN NC(=O)c1ccc(CN[C@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000184845363 396308882 /nfs/dbraw/zinc/30/88/82/396308882.db2.gz CSSGFZJNQMBAFM-NEPJUHHUSA-N 0 3 320.349 0.827 20 5 DCBDHN CC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)COC1 ZINC000285871394 396359464 /nfs/dbraw/zinc/35/94/64/396359464.db2.gz JATMOQXTZMKEHF-UHFFFAOYSA-N 0 3 314.363 0.995 20 5 DCBDHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000288003867 396436721 /nfs/dbraw/zinc/43/67/21/396436721.db2.gz BNVMGXMXCMUWOH-JTQLQIEISA-N 0 3 308.338 0.908 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](n3cccn3)C2)c1 ZINC000291755353 396510892 /nfs/dbraw/zinc/51/08/92/396510892.db2.gz KVWPBEBTOSKTCE-YPMHNXCESA-N 0 3 306.326 0.296 20 5 DCBDHN CCN1C[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000580064435 396485416 /nfs/dbraw/zinc/48/54/16/396485416.db2.gz CXHJKLMHYZFEOL-WCQYABFASA-N 0 3 323.349 0.545 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1O ZINC000519615614 396521511 /nfs/dbraw/zinc/52/15/11/396521511.db2.gz QWFXMBPURSUIPH-QWRGUYRKSA-N 0 3 323.305 0.070 20 5 DCBDHN O=C(CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCNCC1 ZINC000581245803 396536857 /nfs/dbraw/zinc/53/68/57/396536857.db2.gz YNUYRRFNZVJEHQ-HNNXBMFYSA-N 0 3 318.377 0.994 20 5 DCBDHN C[C@H](CNCCOc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000562993579 396691454 /nfs/dbraw/zinc/69/14/54/396691454.db2.gz JSPUQJWPHQLQEJ-SNVBAGLBSA-N 0 3 302.352 0.996 20 5 DCBDHN CCN1CCN(CCNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000596073829 396715010 /nfs/dbraw/zinc/71/50/10/396715010.db2.gz BILRMJAZWSWQMO-UHFFFAOYSA-N 0 3 321.381 0.743 20 5 DCBDHN CCN1CCN([C@@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596124925 396720622 /nfs/dbraw/zinc/72/06/22/396720622.db2.gz ZZFNFOOBPZELLU-GFCCVEGCSA-N 0 3 321.381 0.912 20 5 DCBDHN CCN1CCN([C@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596124926 396720718 /nfs/dbraw/zinc/72/07/18/396720718.db2.gz ZZFNFOOBPZELLU-LBPRGKRZSA-N 0 3 321.381 0.912 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563438383 396736611 /nfs/dbraw/zinc/73/66/11/396736611.db2.gz CZXPKKSARFZORE-QWHCGFSZSA-N 0 3 320.349 0.347 20 5 DCBDHN COC(=O)Cc1ccc(N[C@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000596242340 396742542 /nfs/dbraw/zinc/74/25/42/396742542.db2.gz DQKMVRFDXZRMQS-NSHDSACASA-N 0 3 311.338 0.645 20 5 DCBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1COCCN1 ZINC000600678704 396915698 /nfs/dbraw/zinc/91/56/98/396915698.db2.gz SSSLSEGYSWQPDQ-WCQYABFASA-N 0 3 322.365 0.890 20 5 DCBDHN CCN(CCN)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600717437 396928468 /nfs/dbraw/zinc/92/84/68/396928468.db2.gz AFRVYHCLVVKETD-UHFFFAOYSA-N 0 3 301.368 0.649 20 5 DCBDHN CN1CCC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000376637376 396955405 /nfs/dbraw/zinc/95/54/05/396955405.db2.gz RFCPSYDNUVVPPD-UHFFFAOYSA-N 0 3 307.354 0.878 20 5 DCBDHN CN1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000571743775 396982053 /nfs/dbraw/zinc/98/20/53/396982053.db2.gz QFXRROIXFFKTBV-GFCCVEGCSA-N 0 3 311.317 0.841 20 5 DCBDHN Cc1c(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000572016422 397014379 /nfs/dbraw/zinc/01/43/79/397014379.db2.gz VDVVJHJHOQIMCI-OLZOCXBDSA-N 0 3 304.350 0.647 20 5 DCBDHN CN1CC[C@@](O)(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613014674 397180052 /nfs/dbraw/zinc/18/00/52/397180052.db2.gz UVJJEPPUKJMPAA-OAHLLOKOSA-N 0 3 323.349 0.522 20 5 DCBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000592431368 397175008 /nfs/dbraw/zinc/17/50/08/397175008.db2.gz XPXKADYIAFWSGR-ZQARSLAVSA-N 0 3 312.248 0.054 20 5 DCBDHN COC(=O)[C@@H]1CNCCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000592491273 397191379 /nfs/dbraw/zinc/19/13/79/397191379.db2.gz IYPFFTKSLPAWJH-ZDUSSCGKSA-N 0 3 323.349 0.940 20 5 DCBDHN CN(C)CCN(C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598901913 397305554 /nfs/dbraw/zinc/30/55/54/397305554.db2.gz VODIOGLQPVVCDC-UHFFFAOYSA-N 0 3 323.353 0.736 20 5 DCBDHN O=[N+]([O-])c1c(NCCN2CCCC2)ncnc1N1CCOCC1 ZINC000598588936 397251590 /nfs/dbraw/zinc/25/15/90/397251590.db2.gz LZNWPMRUNKBPMY-UHFFFAOYSA-N 0 3 322.369 0.729 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000602773456 397480868 /nfs/dbraw/zinc/48/08/68/397480868.db2.gz TWWMVCBLAODCKS-KBPBESRZSA-N 0 3 323.397 0.631 20 5 DCBDHN CN(C[C@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O)C1CC1 ZINC000578988291 397509652 /nfs/dbraw/zinc/50/96/52/397509652.db2.gz JQKXPBLOCZQRMN-VIFPVBQESA-N 0 3 324.362 0.821 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594197262 397512337 /nfs/dbraw/zinc/51/23/37/397512337.db2.gz BLGXCFLSJAXGHI-MNOVXSKESA-N 0 3 308.342 0.319 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000579375659 397562805 /nfs/dbraw/zinc/56/28/05/397562805.db2.gz QBTYSLDFNYYNQY-ZYHUDNBSSA-N 0 3 318.333 0.287 20 5 DCBDHN CC(C)[C@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169186983 158373673 /nfs/dbraw/zinc/37/36/73/158373673.db2.gz YMNJARHRCVEBMH-MFKMUULPSA-N 0 3 307.354 0.986 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171453620 158383176 /nfs/dbraw/zinc/38/31/76/158383176.db2.gz GVHGVWUHEXSOBT-GFCCVEGCSA-N 0 3 307.354 0.796 20 5 DCBDHN Nc1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000321806258 159011827 /nfs/dbraw/zinc/01/18/27/159011827.db2.gz YHWIKHHBYHWKDM-WDEREUQCSA-N 0 3 320.349 0.770 20 5 DCBDHN CCN1C[C@H](C)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330588480 159198424 /nfs/dbraw/zinc/19/84/24/159198424.db2.gz UEDCRTRZWWYGCB-SGMGOOAPSA-N 0 3 311.386 0.567 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000368404212 159392263 /nfs/dbraw/zinc/39/22/63/159392263.db2.gz KIHDZTBJACZHEP-OLZOCXBDSA-N 0 3 309.370 0.322 20 5 DCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNCc2cc[nH]c2)c1 ZINC000086252007 286930883 /nfs/dbraw/zinc/93/08/83/286930883.db2.gz HMBTUYAWFSQDFH-UHFFFAOYSA-N 0 3 324.362 0.991 20 5 DCBDHN COC(=O)C[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246453892 287083595 /nfs/dbraw/zinc/08/35/95/287083595.db2.gz FCLGNOYTVILFRD-CMPLNLGQSA-N 0 3 312.326 0.180 20 5 DCBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N(C)[C@@H](C)CN)cc1[N+](=O)[O-] ZINC000419241328 287276618 /nfs/dbraw/zinc/27/66/18/287276618.db2.gz BVEGJRAHABKNOR-QWRGUYRKSA-N 0 3 322.365 0.886 20 5 DCBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352646545 415264917 /nfs/dbraw/zinc/26/49/17/415264917.db2.gz POSSNMNQGGCEJC-JTQLQIEISA-N 0 3 311.342 0.501 20 5 DCBDHN CC(C(=O)NCCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000048943019 415301903 /nfs/dbraw/zinc/30/19/03/415301903.db2.gz GMROKXRVUIAJLX-VIFPVBQESA-N 0 3 300.336 0.687 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](COC(F)F)C2)c1 ZINC000353021376 415409238 /nfs/dbraw/zinc/40/92/38/415409238.db2.gz JTDVFVVYBUUGCW-KOLCDFICSA-N 0 3 320.296 0.713 20 5 DCBDHN CN1CCC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000108328401 415678257 /nfs/dbraw/zinc/67/82/57/415678257.db2.gz XOWWAUGTSKODEY-NSHDSACASA-N 0 3 309.370 0.984 20 5 DCBDHN CN1CCC(n2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)n2)CC1 ZINC000355505535 415864299 /nfs/dbraw/zinc/86/42/99/415864299.db2.gz RFDLDVPWYWDRDC-UHFFFAOYSA-N 0 3 319.325 1.033 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000153148237 415977577 /nfs/dbraw/zinc/97/75/77/415977577.db2.gz GHOVTTKUWNYVTJ-HNNXBMFYSA-N 0 3 324.381 0.703 20 5 DCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000356727042 415977646 /nfs/dbraw/zinc/97/76/46/415977646.db2.gz BXPJPMWQVSZKMX-MNOVXSKESA-N 0 3 307.354 0.885 20 5 DCBDHN CN1CCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302123195 416097791 /nfs/dbraw/zinc/09/77/91/416097791.db2.gz HFDMKPMWRNZFSL-SECBINFHSA-N 0 3 314.367 0.748 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000358043830 416177299 /nfs/dbraw/zinc/17/72/99/416177299.db2.gz AWRXVHGETFYJAJ-HNNXBMFYSA-N 0 3 318.333 0.873 20 5 DCBDHN CC(C)c1n[nH]c(C(=O)NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000345970695 416177498 /nfs/dbraw/zinc/17/74/98/416177498.db2.gz XPQKBVLLQXYWFC-UHFFFAOYSA-N 0 3 313.358 0.749 20 5 DCBDHN CNC(=O)c1ccc(NC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000358328056 416223026 /nfs/dbraw/zinc/22/30/26/416223026.db2.gz IFOHGDIUQMQCQM-CQSZACIVSA-N 0 3 308.338 0.433 20 5 DCBDHN CN1CC[C@@](O)(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000358328780 416223319 /nfs/dbraw/zinc/22/33/19/416223319.db2.gz KJIGXXIGXHAGKM-OAHLLOKOSA-N 0 3 320.349 0.958 20 5 DCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000415415219 416342100 /nfs/dbraw/zinc/34/21/00/416342100.db2.gz HOKATXWBJMLLFD-VIFPVBQESA-N 0 3 308.338 0.901 20 5 DCBDHN CN(C)[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1O ZINC000359965989 416367031 /nfs/dbraw/zinc/36/70/31/416367031.db2.gz ILDOJNMEIMUTJS-NWDGAFQWSA-N 0 3 303.322 0.649 20 5 DCBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1c1ccccc1 ZINC000423600994 416524101 /nfs/dbraw/zinc/52/41/01/416524101.db2.gz BLIRBZOCGUPKIT-WDEREUQCSA-N 0 3 301.306 0.885 20 5 DCBDHN CN1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000516465381 416724813 /nfs/dbraw/zinc/72/48/13/416724813.db2.gz UICPBIUZCZRYAZ-GFCCVEGCSA-N 0 3 308.338 0.075 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000565330695 416967006 /nfs/dbraw/zinc/96/70/06/416967006.db2.gz BHLHXJFYQFLIKU-NWDGAFQWSA-N 0 3 307.354 0.795 20 5 DCBDHN O=C(CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)NCC1CC1 ZINC000520799583 416977201 /nfs/dbraw/zinc/97/72/01/416977201.db2.gz PKCZVFIQVUFUIZ-ZDUSSCGKSA-N 0 3 323.349 0.450 20 5 DCBDHN Cc1nc(NC[C@@H](O)CN2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000450329873 417215822 /nfs/dbraw/zinc/21/58/22/417215822.db2.gz SBQWEQLDFNVEIU-GFCCVEGCSA-N 0 3 309.370 1.198 20 5 DCBDHN CN(C)C(=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000576220223 417590679 /nfs/dbraw/zinc/59/06/79/417590679.db2.gz HGSMDIIZZVRNGF-NSHDSACASA-N 0 3 311.338 0.402 20 5 DCBDHN CCc1n[nH]c(C(=O)NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000362346316 262023718 /nfs/dbraw/zinc/02/37/18/262023718.db2.gz LHQWHWCKMMQCAZ-UHFFFAOYSA-N 0 3 324.385 0.248 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418757734 262287661 /nfs/dbraw/zinc/28/76/61/262287661.db2.gz DYKVHUSFAGPSIW-AWEZNQCLSA-N 0 3 320.349 0.651 20 5 DCBDHN NC[C@H](NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418862426 262293658 /nfs/dbraw/zinc/29/36/58/262293658.db2.gz GCNFSCJCEZEPAQ-ZDUSSCGKSA-N 0 3 320.349 0.107 20 5 DCBDHN CN(C)CCN(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000359593709 271128232 /nfs/dbraw/zinc/12/82/32/271128232.db2.gz SXSFDULNTLKYMI-UHFFFAOYSA-N 0 3 323.349 0.929 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000492557675 272134911 /nfs/dbraw/zinc/13/49/11/272134911.db2.gz DBGKVTULNMSUIN-SZTZYQKNSA-N 0 3 305.334 0.791 20 5 DCBDHN CN(C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000330598514 276791915 /nfs/dbraw/zinc/79/19/15/276791915.db2.gz DKLFKTOVJIXKTC-UHFFFAOYSA-N 0 3 311.342 0.501 20 5 DCBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000552083216 288264241 /nfs/dbraw/zinc/26/42/41/288264241.db2.gz WRCBGAJBBAJVRN-SNVBAGLBSA-N 0 3 308.338 0.391 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H]2COCCO2)c1 ZINC000555575437 288357285 /nfs/dbraw/zinc/35/72/85/288357285.db2.gz JWOKNEDPMAPTNO-OCCSQVGLSA-N 0 3 312.322 0.340 20 5 DCBDHN COc1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000563899343 288713939 /nfs/dbraw/zinc/71/39/39/288713939.db2.gz UEUPQIRVHFUCII-WPRPVWTQSA-N 0 3 324.312 0.491 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000565832218 288881541 /nfs/dbraw/zinc/88/15/41/288881541.db2.gz HZILBJAHGCAVPJ-NWDGAFQWSA-N 0 3 315.333 0.895 20 5 DCBDHN Cn1cncc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584586757 337369644 /nfs/dbraw/zinc/36/96/44/337369644.db2.gz WQGJPBDRHMXFOI-CYBMUJFWSA-N 0 3 306.322 0.858 20 5 DCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161410014 524895883 /nfs/dbraw/zinc/89/58/83/524895883.db2.gz MALFJCVRCFPHRP-YPMHNXCESA-N 0 3 324.385 0.773 20 5 DCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000247442156 524900032 /nfs/dbraw/zinc/90/00/32/524900032.db2.gz MALFJCVRCFPHRP-DGCLKSJQSA-N 0 3 324.385 0.773 20 5 DCBDHN C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736764987 598601974 /nfs/dbraw/zinc/60/19/74/598601974.db2.gz SOBKFMZLCOTJBY-SNVBAGLBSA-N 0 3 303.326 0.915 20 5 DCBDHN C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736764987 598601976 /nfs/dbraw/zinc/60/19/76/598601976.db2.gz SOBKFMZLCOTJBY-SNVBAGLBSA-N 0 3 303.326 0.915 20 5 DCBDHN CC(C)n1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001022064173 658821421 /nfs/dbraw/zinc/82/14/21/658821421.db2.gz ZHAZHSDRANLPAR-LYIQGSDWSA-N 0 3 322.369 0.261 20 5 DCBDHN Cc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])sn1 ZINC001025778543 659555246 /nfs/dbraw/zinc/55/52/46/659555246.db2.gz UJKQTLYQBGFHTQ-LBELIVKGSA-N 0 3 322.390 0.663 20 5 DCBDHN Cc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc1 ZINC000983655689 662000956 /nfs/dbraw/zinc/00/09/56/662000956.db2.gz UREYXVDTQCBQPD-FDYHWXHSSA-N 0 3 319.365 0.435 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)C(F)F)CC1 ZINC000989828041 662982544 /nfs/dbraw/zinc/98/25/44/662982544.db2.gz OWVPXFBGPKVIRO-UHFFFAOYSA-N 0 3 317.296 0.674 20 5 DCBDHN CN1CC[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000905547085 663563390 /nfs/dbraw/zinc/56/33/90/663563390.db2.gz SGWVNRZKAJZOLZ-LBPRGKRZSA-N 0 3 313.379 0.662 20 5 DCBDHN Cn1c(C(=O)N(CCO)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000911936216 664126824 /nfs/dbraw/zinc/12/68/24/664126824.db2.gz ZRFRFXKGZXZWRF-UHFFFAOYSA-N 0 3 310.354 0.462 20 5 DCBDHN COC(=O)c1ccc(OC(=O)C2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000774479616 668835163 /nfs/dbraw/zinc/83/51/63/668835163.db2.gz RACWBQNOSRHBSS-SNVBAGLBSA-N 0 3 322.273 0.765 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935980322 669806318 /nfs/dbraw/zinc/80/63/18/669806318.db2.gz HWOLFMMAXBYOBU-KWCYVHTRSA-N 0 3 307.350 0.737 20 5 DCBDHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104369 670611596 /nfs/dbraw/zinc/61/15/96/670611596.db2.gz ZGLAUIKJWRLKSR-QWRGUYRKSA-N 0 3 322.383 0.789 20 5 DCBDHN CC(COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)[N+](=O)[O-] ZINC000842362837 672009199 /nfs/dbraw/zinc/00/91/99/672009199.db2.gz ADICQRCRHFPVQP-RKDXNWHRSA-N 0 3 306.274 0.880 20 5 DCBDHN Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H]3CNCCO3)n2)n1C ZINC000843221884 672071712 /nfs/dbraw/zinc/07/17/12/672071712.db2.gz NCIWRQGBXISZPI-MRVPVSSYSA-N 0 3 308.298 0.218 20 5 DCBDHN CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](CC)CN1 ZINC001573717730 1163540050 /nfs/dbraw/zinc/54/00/50/1163540050.db2.gz HJJCARCQHJUSFE-RYUDHWBXSA-N 0 3 322.365 0.746 20 5 DCBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1COC2(CNC2)C1 ZINC001580569752 1165641157 /nfs/dbraw/zinc/64/11/57/1165641157.db2.gz CZFGXILJLRZDDX-NSHDSACASA-N 0 3 309.297 0.524 20 5 DCBDHN C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591011497 1167078128 /nfs/dbraw/zinc/07/81/28/1167078128.db2.gz CELROVYMTOAEEG-SECBINFHSA-N 0 3 307.314 0.109 20 5 DCBDHN C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591011497 1167078132 /nfs/dbraw/zinc/07/81/32/1167078132.db2.gz CELROVYMTOAEEG-SECBINFHSA-N 0 3 307.314 0.109 20 5 DCBDHN CN(CC[NH+](C)C)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591017907 1167082856 /nfs/dbraw/zinc/08/28/56/1167082856.db2.gz WSCVMTIVTQARCP-UHFFFAOYSA-N 0 3 309.305 0.912 20 5 DCBDHN CN(CC[NH+](C)C)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591017907 1167082859 /nfs/dbraw/zinc/08/28/59/1167082859.db2.gz WSCVMTIVTQARCP-UHFFFAOYSA-N 0 3 309.305 0.912 20 5 DCBDHN C[N@@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591181315 1167133835 /nfs/dbraw/zinc/13/38/35/1167133835.db2.gz YJZGPAGZVAYUOK-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591181315 1167133839 /nfs/dbraw/zinc/13/38/39/1167133839.db2.gz YJZGPAGZVAYUOK-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591181315 1167133842 /nfs/dbraw/zinc/13/38/42/1167133842.db2.gz YJZGPAGZVAYUOK-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591181315 1167133845 /nfs/dbraw/zinc/13/38/45/1167133845.db2.gz YJZGPAGZVAYUOK-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@H]2C1 ZINC001591196794 1167147178 /nfs/dbraw/zinc/14/71/78/1167147178.db2.gz ZLHRXZNSNKIGEW-AOOOYVTPSA-N 0 3 315.337 0.773 20 5 DCBDHN C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@H]2C1 ZINC001591196794 1167147186 /nfs/dbraw/zinc/14/71/86/1167147186.db2.gz ZLHRXZNSNKIGEW-AOOOYVTPSA-N 0 3 315.337 0.773 20 5 DCBDHN C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@H]2C1 ZINC001591196794 1167147189 /nfs/dbraw/zinc/14/71/89/1167147189.db2.gz ZLHRXZNSNKIGEW-AOOOYVTPSA-N 0 3 315.337 0.773 20 5 DCBDHN C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@H]2C1 ZINC001591196794 1167147195 /nfs/dbraw/zinc/14/71/95/1167147195.db2.gz ZLHRXZNSNKIGEW-AOOOYVTPSA-N 0 3 315.337 0.773 20 5 DCBDHN C[NH+](C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604681194 1169654191 /nfs/dbraw/zinc/65/41/91/1169654191.db2.gz VFQRLHXKGQRPEW-SECBINFHSA-N 0 3 307.314 0.109 20 5 DCBDHN C[N@@H+]1CC[C@@H]2CN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C[C@@H]21 ZINC001604867428 1169718890 /nfs/dbraw/zinc/71/88/90/1169718890.db2.gz HQHYDPCCKIFGRC-MFKMUULPSA-N 0 3 315.337 0.915 20 5 DCBDHN C[N@H+]1CC[C@@H]2CN(c3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])C[C@@H]21 ZINC001604867428 1169718892 /nfs/dbraw/zinc/71/88/92/1169718892.db2.gz HQHYDPCCKIFGRC-MFKMUULPSA-N 0 3 315.337 0.915 20 5 DCBDHN C[N@@H+]1CC[C@@H]2CN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])C[C@@H]21 ZINC001604867428 1169718894 /nfs/dbraw/zinc/71/88/94/1169718894.db2.gz HQHYDPCCKIFGRC-MFKMUULPSA-N 0 3 315.337 0.915 20 5 DCBDHN C[N@H+]1CC[C@@H]2CN(c3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])C[C@@H]21 ZINC001604867428 1169718900 /nfs/dbraw/zinc/71/89/00/1169718900.db2.gz HQHYDPCCKIFGRC-MFKMUULPSA-N 0 3 315.337 0.915 20 5 DCBDHN C[C@H]1[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1C ZINC001612939396 1171366395 /nfs/dbraw/zinc/36/63/95/1171366395.db2.gz CHMAUODMQVSLQV-WCBMZHEXSA-N 0 3 314.367 0.747 20 5 DCBDHN CCN1CCN([C@H](C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001628312310 1171524697 /nfs/dbraw/zinc/52/46/97/1171524697.db2.gz HLXJPCLFVXYIAD-SNVBAGLBSA-N 0 3 310.358 0.074 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC001642432044 1171945478 /nfs/dbraw/zinc/94/54/78/1171945478.db2.gz GBOUBXIXWARDBT-JTQLQIEISA-N 0 3 310.354 0.508 20 5 DCBDHN Cn1cnnc1CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001648374847 1173074191 /nfs/dbraw/zinc/07/41/91/1173074191.db2.gz UMPZUTHVWMVVHF-UHFFFAOYSA-N 0 3 319.369 0.875 20 5 DCBDHN CNC(=O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090512019 1175412571 /nfs/dbraw/zinc/41/25/71/1175412571.db2.gz HEHVZWIROXANGH-UHFFFAOYSA-N 0 3 308.338 0.215 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nccnc1C ZINC001713546433 1180913015 /nfs/dbraw/zinc/91/30/15/1180913015.db2.gz LQRPIAFAWJGXCE-TZMCWYRMSA-N 0 3 321.381 0.778 20 5 DCBDHN O=C(NC1(CO)CCN(C/C=C\Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001717350407 1182796275 /nfs/dbraw/zinc/79/62/75/1182796275.db2.gz BLBFSKQTCSGOEU-UGJREKFNSA-N 0 3 317.773 0.347 20 5 DCBDHN COc1ncccc1CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732848775 1186010858 /nfs/dbraw/zinc/01/08/58/1186010858.db2.gz NPEZJAVRONAPHE-LLGAQUFESA-N 0 3 320.349 0.517 20 5 DCBDHN CCn1nncc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126726492 749672282 /nfs/dbraw/zinc/67/22/82/749672282.db2.gz BHHXMQJNVMWAFK-UHFFFAOYSA-N 0 3 318.337 0.726 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC001122828023 767881184 /nfs/dbraw/zinc/88/11/84/767881184.db2.gz XURMWVWKYLAPQL-UHFFFAOYSA-N 0 3 301.306 0.904 20 5 DCBDHN Cc1cnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc1 ZINC001086363465 760101382 /nfs/dbraw/zinc/10/13/82/760101382.db2.gz VTMAHAGZERHLFJ-FDYHWXHSSA-N 0 3 319.365 0.435 20 5 DCBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cnon1 ZINC001168876097 760493181 /nfs/dbraw/zinc/49/31/81/760493181.db2.gz YVPXDZJOETXTGJ-UHFFFAOYSA-N 0 3 305.294 0.888 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cccnn1 ZINC001169007911 760542439 /nfs/dbraw/zinc/54/24/39/760542439.db2.gz FVACWYLXSSLILW-UHFFFAOYSA-N 0 3 319.325 0.028 20 5 DCBDHN CN(CC(=O)NCCNCc1c([N+](=O)[O-])ncn1C)C1CCC1 ZINC001129526304 762951776 /nfs/dbraw/zinc/95/17/76/762951776.db2.gz ABOVHKAAKRKRIT-UHFFFAOYSA-N 0 3 324.385 0.018 20 5 DCBDHN CC(C)N(C)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001100149784 763354094 /nfs/dbraw/zinc/35/40/94/763354094.db2.gz QAGRCGBTRFTRIU-UHFFFAOYSA-N 0 3 309.370 0.882 20 5 DCBDHN C[C@H](Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170563884 763840536 /nfs/dbraw/zinc/84/05/36/763840536.db2.gz NTHAZCCFPDHDFW-OIBJUYFYSA-N 0 3 302.718 0.670 20 5 DCBDHN Cn1c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c[nH]c1=O ZINC001132367015 764407571 /nfs/dbraw/zinc/40/75/71/764407571.db2.gz JCBRUBRIPKZOBW-UHFFFAOYSA-N 0 3 319.321 0.554 20 5 DCBDHN O=[N+]([O-])c1cnc(Cl)nc1NCc1nnn2c1CNCCC2 ZINC001155391102 770488894 /nfs/dbraw/zinc/48/88/94/770488894.db2.gz UJQRUUZNMPBZKC-UHFFFAOYSA-N 0 3 324.732 0.735 20 5 DCBDHN Nc1nc(NCc2nnn3c2CNCCC3)ccc1[N+](=O)[O-] ZINC001155397482 770491346 /nfs/dbraw/zinc/49/13/46/770491346.db2.gz LVTIXRYGQFBCGB-UHFFFAOYSA-N 0 3 304.314 0.269 20 5 DCBDHN CSc1nc(Cl)nc(-n2nncc2CN)c1[N+](=O)[O-] ZINC001158422570 771772219 /nfs/dbraw/zinc/77/22/19/771772219.db2.gz BTWFCLODOIGHIU-UHFFFAOYSA-N 0 3 301.719 0.800 20 5 DCBDHN COc1cc([N+](=O)[O-])cnc1NCc1nnn2c1CNCCC2 ZINC001162965877 772436582 /nfs/dbraw/zinc/43/65/82/772436582.db2.gz AVNCMCNSUDVERG-UHFFFAOYSA-N 0 3 319.325 0.695 20 5 DCBDHN CN(c1ccc2cnccc2c1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164297162 772640621 /nfs/dbraw/zinc/64/06/21/772640621.db2.gz LFURHUKMPFBJOQ-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN CS(=O)(=O)N(c1cc([N+](=O)[O-])c2cc[nH]c2n1)C1CNC1 ZINC001166970306 772894347 /nfs/dbraw/zinc/89/43/47/772894347.db2.gz JOKCPLIMCAVNAR-UHFFFAOYSA-N 0 3 311.323 0.209 20 5 DCBDHN CN(CCNCc1cc2n(n1)CCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696583 939212947 /nfs/dbraw/zinc/21/29/47/939212947.db2.gz MOVJPGSDRKEWBA-CHWSQXEVSA-N 0 3 307.354 0.043 20 5 DCBDHN O=[N+]([O-])c1ccc(N2CCC(NC3(CO)COC3)CC2)cc1 ZINC001254467080 946396750 /nfs/dbraw/zinc/39/67/50/946396750.db2.gz VRIKPYVVTHRIRH-UHFFFAOYSA-N 0 3 307.350 0.915 20 5 DCBDHN CCOC(=O)CNC(=O)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537771 946407232 /nfs/dbraw/zinc/40/72/32/946407232.db2.gz HMQIDCAILAOTLZ-LLVKDONJSA-N 0 3 323.349 0.795 20 5 DCBDHN Cc1c(CC(=O)N[C@H]2COC3(CNC3)C2)cccc1[N+](=O)[O-] ZINC001340736078 953190993 /nfs/dbraw/zinc/19/09/93/953190993.db2.gz RVXSMVCIYSUYFV-GFCCVEGCSA-N 0 3 305.334 0.693 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3ncccn3)C2)c1 ZINC001460853402 1012983432 /nfs/dbraw/zinc/98/34/32/1012983432.db2.gz BXIFZVKUQZQIIY-DGCLKSJQSA-N 0 3 318.337 0.432 20 5 DCBDHN NC(=O)c1cccc(NC[C@@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000339969072 283386106 /nfs/dbraw/zinc/38/61/06/283386106.db2.gz MWUCCGVRGKKBOE-LLVKDONJSA-N 0 3 322.365 0.952 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CO)CC(F)F)c1 ZINC000566231142 291285176 /nfs/dbraw/zinc/28/51/76/291285176.db2.gz LFSFWYINTXXYHB-ONGXEEELSA-N 0 3 320.292 0.940 20 5 DCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000420437392 240029974 /nfs/dbraw/zinc/02/99/74/240029974.db2.gz CJHNUVOUNWLIHU-JTQLQIEISA-N 0 3 321.305 0.870 20 5 DCBDHN CS[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271769969 209198910 /nfs/dbraw/zinc/19/89/10/209198910.db2.gz IMMOUIITIGCPAA-WPRPVWTQSA-N 0 3 313.383 0.446 20 5 DCBDHN CN1CCC[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569332510 291473676 /nfs/dbraw/zinc/47/36/76/291473676.db2.gz UFHVQLRRRLUNHH-NWDGAFQWSA-N 0 3 323.349 0.545 20 5 DCBDHN COCCN1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000266105521 205101283 /nfs/dbraw/zinc/10/12/83/205101283.db2.gz LPWNWHAJHZTGDP-CYBMUJFWSA-N 0 3 307.350 0.974 20 5 DCBDHN COc1ccc(NC(=O)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000273010826 210390650 /nfs/dbraw/zinc/39/06/50/210390650.db2.gz ZBEFZSLJFRLFDW-UHFFFAOYSA-N 0 3 310.310 0.220 20 5 DCBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346179326 254019527 /nfs/dbraw/zinc/01/95/27/254019527.db2.gz BBOIXLXUNKYSGU-OBJOEFQTSA-N 0 3 321.381 0.980 20 5 DCBDHN CCN1CCC(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 ZINC000102204464 395769330 /nfs/dbraw/zinc/76/93/30/395769330.db2.gz BSJSUKMGROGSLC-UHFFFAOYSA-N 0 3 308.338 0.357 20 5 DCBDHN CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000124310418 395900899 /nfs/dbraw/zinc/90/08/99/395900899.db2.gz ZJZXDCQYCVHKCR-JTQLQIEISA-N 0 3 312.757 0.963 20 5 DCBDHN CN(C)CCN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000055197506 395913527 /nfs/dbraw/zinc/91/35/27/395913527.db2.gz AISBELAUBGIRRY-UHFFFAOYSA-N 0 3 320.393 0.843 20 5 DCBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000247314322 395971532 /nfs/dbraw/zinc/97/15/32/395971532.db2.gz HQSWWDKWCNGQOH-WCQYABFASA-N 0 3 322.365 0.555 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCO)CCO ZINC000154926121 396044423 /nfs/dbraw/zinc/04/44/23/396044423.db2.gz IFKURHVNFGFEPS-UHFFFAOYSA-N 0 3 311.338 0.518 20 5 DCBDHN COc1ccc(CNC(=O)[C@@H](N)C2CCOCC2)cc1[N+](=O)[O-] ZINC000261796835 396067162 /nfs/dbraw/zinc/06/71/62/396067162.db2.gz NYARKJOXRYFAOG-AWEZNQCLSA-N 0 3 323.349 0.974 20 5 DCBDHN Cc1c(NC(=O)CCN2C[C@@H](O)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000278637960 396136607 /nfs/dbraw/zinc/13/66/07/396136607.db2.gz GTTGEIAZXHFHLH-BETUJISGSA-N 0 3 309.322 0.269 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2ccncc2)CC1 ZINC000160460482 396074446 /nfs/dbraw/zinc/07/44/46/396074446.db2.gz BNBGWMDJRIHBHO-UHFFFAOYSA-N 0 3 316.321 0.686 20 5 DCBDHN O=C(CN1CCNCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000261921937 396079704 /nfs/dbraw/zinc/07/97/04/396079704.db2.gz HYOGEFHPYZAHAR-UHFFFAOYSA-N 0 3 308.294 0.167 20 5 DCBDHN Nc1c(C(=O)NCCCN2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000176778803 396160759 /nfs/dbraw/zinc/16/07/59/396160759.db2.gz NFGHEVWSIBOXTI-UHFFFAOYSA-N 0 3 322.365 0.754 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]1CN1CCCCC1 ZINC000075505710 396180830 /nfs/dbraw/zinc/18/08/30/396180830.db2.gz YMZFGXKJDORJLP-LBPRGKRZSA-N 0 3 322.369 0.663 20 5 DCBDHN O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)c2nonc21 ZINC000264243143 396264322 /nfs/dbraw/zinc/26/43/22/396264322.db2.gz JTTRIQFCPQVRBU-UHFFFAOYSA-N 0 3 307.310 0.635 20 5 DCBDHN CCN(CCO)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000183985665 396280011 /nfs/dbraw/zinc/28/00/11/396280011.db2.gz KIAXJZHJPJLWQT-UHFFFAOYSA-N 0 3 311.338 0.404 20 5 DCBDHN COCCN1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000264540093 396288935 /nfs/dbraw/zinc/28/89/35/396288935.db2.gz NLQIZVBSZMDFHQ-CYBMUJFWSA-N 0 3 307.350 0.974 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)CNCCO2 ZINC000291146246 396479976 /nfs/dbraw/zinc/47/99/76/396479976.db2.gz YGTGRXNQKDQUNX-UHFFFAOYSA-N 0 3 317.305 0.912 20 5 DCBDHN Cc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000581677569 396575415 /nfs/dbraw/zinc/57/54/15/396575415.db2.gz GHCKQIATFUFCPG-OLZOCXBDSA-N 0 3 318.333 0.287 20 5 DCBDHN O=C(NC1CNC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000562829144 396683738 /nfs/dbraw/zinc/68/37/38/396683738.db2.gz WFGFHXGICNTSOW-UHFFFAOYSA-N 0 3 318.333 0.174 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588867042 396696840 /nfs/dbraw/zinc/69/68/40/396696840.db2.gz VPJIMPIACYGVEV-LLVKDONJSA-N 0 3 320.349 0.657 20 5 DCBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000610925096 396784760 /nfs/dbraw/zinc/78/47/60/396784760.db2.gz MSXZXJMPESDQGW-LLVKDONJSA-N 0 3 308.338 0.906 20 5 DCBDHN C[C@](O)(CNCc1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000304287427 396729122 /nfs/dbraw/zinc/72/91/22/396729122.db2.gz FYRSLZXMMUGFCA-HNNXBMFYSA-N 0 3 309.366 0.768 20 5 DCBDHN Cc1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000563433633 396734559 /nfs/dbraw/zinc/73/45/59/396734559.db2.gz PHZUMUBFBHIDPW-GXSJLCMTSA-N 0 3 308.313 0.791 20 5 DCBDHN COC(=O)Cc1ccc(N[C@@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000596242339 396742628 /nfs/dbraw/zinc/74/26/28/396742628.db2.gz DQKMVRFDXZRMQS-LLVKDONJSA-N 0 3 311.338 0.645 20 5 DCBDHN NC(=O)c1cc(NCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000596257598 396745945 /nfs/dbraw/zinc/74/59/45/396745945.db2.gz BXGHKYNYUOKBQG-UHFFFAOYSA-N 0 3 308.338 0.562 20 5 DCBDHN NC(=O)[C@H]1CCCN1C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611242273 396843565 /nfs/dbraw/zinc/84/35/65/396843565.db2.gz TYMFEXAGRCOCRT-GFCCVEGCSA-N 0 3 319.365 0.908 20 5 DCBDHN CCN1CC[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000591765967 396999855 /nfs/dbraw/zinc/99/98/55/396999855.db2.gz XHQMZFYCASAGQB-NEPJUHHUSA-N 0 3 323.349 0.545 20 5 DCBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601422257 397113372 /nfs/dbraw/zinc/11/33/72/397113372.db2.gz RJEYQUAPBPEFJV-VHSXEESVSA-N 0 3 314.367 0.703 20 5 DCBDHN C[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1CN ZINC000592471053 397185170 /nfs/dbraw/zinc/18/51/70/397185170.db2.gz LDLNPHAOJBCPDD-MNOVXSKESA-N 0 3 308.338 0.342 20 5 DCBDHN CC1(C)CC[C@H](CO)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598648087 397267971 /nfs/dbraw/zinc/26/79/71/397267971.db2.gz NQBBXNVEEQOEHK-DGCLKSJQSA-N 0 3 312.370 0.635 20 5 DCBDHN C[C@H](NC1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000382962395 397276995 /nfs/dbraw/zinc/27/69/95/397276995.db2.gz OZFCEPQNAQHAEF-NSHDSACASA-N 0 3 319.365 0.779 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2COC[C@@H]2C1 ZINC000601974529 397278198 /nfs/dbraw/zinc/27/81/98/397278198.db2.gz SKZHFRHRLLNCGU-FRRDWIJNSA-N 0 3 308.334 0.913 20 5 DCBDHN Cc1cnc(N2CC(CN3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000599104933 397338224 /nfs/dbraw/zinc/33/82/24/397338224.db2.gz GKEYIKAIJAPFQV-UHFFFAOYSA-N 0 3 305.382 0.982 20 5 DCBDHN CC(C)[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000488023609 397483032 /nfs/dbraw/zinc/48/30/32/397483032.db2.gz IWAMTZHVTMPGRM-UONOGXRCSA-N 0 3 311.386 0.424 20 5 DCBDHN CN1C[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000579424876 397565029 /nfs/dbraw/zinc/56/50/29/397565029.db2.gz JGJYTXCLKFYIOU-AOOOYVTPSA-N 0 3 312.351 0.172 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599939268 397546027 /nfs/dbraw/zinc/54/60/27/397546027.db2.gz UQVDETFDWKDDJY-ZYHUDNBSSA-N 0 3 308.338 0.214 20 5 DCBDHN Cc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000579972668 397601703 /nfs/dbraw/zinc/60/17/03/397601703.db2.gz FTLDTMASHCWBCK-NEPJUHHUSA-N 0 3 318.333 0.287 20 5 DCBDHN O=C(CCN1CCN(CCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000068128257 158042440 /nfs/dbraw/zinc/04/24/40/158042440.db2.gz LRXDLOOLLXQPPZ-UHFFFAOYSA-N 0 3 322.365 0.533 20 5 DCBDHN C[C@@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193401547 287060823 /nfs/dbraw/zinc/06/08/23/287060823.db2.gz YGQRTZSCSIURGI-SFYZADRCSA-N 0 3 305.381 0.933 20 5 DCBDHN Nc1c(C(=O)NCCNc2ccncc2)cc(F)cc1[N+](=O)[O-] ZINC000342861293 415320415 /nfs/dbraw/zinc/32/04/15/415320415.db2.gz WDUMCHQQOIGZRS-UHFFFAOYSA-N 0 3 319.296 0.975 20 5 DCBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000352797180 415324198 /nfs/dbraw/zinc/32/41/98/415324198.db2.gz IBPRVJPRGBAGRX-OLZOCXBDSA-N 0 3 309.322 0.615 20 5 DCBDHN CN1CCC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000108328403 415679064 /nfs/dbraw/zinc/67/90/64/415679064.db2.gz XOWWAUGTSKODEY-LLVKDONJSA-N 0 3 309.370 0.984 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425555091 287317239 /nfs/dbraw/zinc/31/72/39/287317239.db2.gz XHDOPVMCSHOZQB-SNVBAGLBSA-N 0 3 304.310 0.364 20 5 DCBDHN O=C(CN1CCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344433785 415914993 /nfs/dbraw/zinc/91/49/93/415914993.db2.gz KFZLUXXDEKXIRW-UHFFFAOYSA-N 0 3 319.365 0.734 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000152851978 415971098 /nfs/dbraw/zinc/97/10/98/415971098.db2.gz YHPLRAWSGOBVKF-CQSZACIVSA-N 0 3 311.338 0.402 20 5 DCBDHN Cc1cc(NC(=O)C(=O)N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000298681188 416020838 /nfs/dbraw/zinc/02/08/38/416020838.db2.gz RWUXRXVDRVCZMO-UHFFFAOYSA-N 0 3 308.338 0.862 20 5 DCBDHN CN(CCc1cnccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000357046097 416025464 /nfs/dbraw/zinc/02/54/64/416025464.db2.gz ULZJQVGDHMOYPY-CYBMUJFWSA-N 0 3 306.326 0.117 20 5 DCBDHN COc1ccc(CNC(=O)C(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000298857951 416034201 /nfs/dbraw/zinc/03/42/01/416034201.db2.gz OULLXJXORLHHHJ-QMMMGPOBSA-N 0 3 316.335 0.653 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000358065166 416185873 /nfs/dbraw/zinc/18/58/73/416185873.db2.gz MSFRKOOIOVZSQW-CQSZACIVSA-N 0 3 309.322 0.156 20 5 DCBDHN CN1CC[C@](O)(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000358328773 416223344 /nfs/dbraw/zinc/22/33/44/416223344.db2.gz KJIGXXIGXHAGKM-HNNXBMFYSA-N 0 3 320.349 0.958 20 5 DCBDHN Cc1ccc(NC(=O)C(=O)N[C@@H](CN)C2CC2)cc1[N+](=O)[O-] ZINC000415455112 416344300 /nfs/dbraw/zinc/34/43/00/416344300.db2.gz PGNDQHBOGFCSLA-NSHDSACASA-N 0 3 306.322 0.695 20 5 DCBDHN COc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1C ZINC000359759924 416357390 /nfs/dbraw/zinc/35/73/90/416357390.db2.gz SWQWWQAXVHIUSF-HNNXBMFYSA-N 0 3 323.349 0.708 20 5 DCBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000367578965 416648259 /nfs/dbraw/zinc/64/82/59/416648259.db2.gz XKYMFNTXRYSEDF-CHWSQXEVSA-N 0 3 309.370 0.586 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000369998406 416863879 /nfs/dbraw/zinc/86/38/79/416863879.db2.gz RVFXQXFFJWDIDM-KGLIPLIRSA-N 0 3 309.370 0.322 20 5 DCBDHN CN(C)C1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC1 ZINC000438517619 287372594 /nfs/dbraw/zinc/37/25/94/287372594.db2.gz NDLCQAMJCJZBGQ-UHFFFAOYSA-N 0 3 308.338 0.357 20 5 DCBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571226318 417439021 /nfs/dbraw/zinc/43/90/21/417439021.db2.gz NDTLAYQXOHRQDG-DGCLKSJQSA-N 0 3 318.333 0.546 20 5 DCBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571226320 417439450 /nfs/dbraw/zinc/43/94/50/417439450.db2.gz NDTLAYQXOHRQDG-YPMHNXCESA-N 0 3 318.333 0.546 20 5 DCBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576053075 417575877 /nfs/dbraw/zinc/57/58/77/417575877.db2.gz AZGLCZZRCKRQFG-DDTOSNHZSA-N 0 3 304.350 0.900 20 5 DCBDHN CC(C)N1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000457110099 417691958 /nfs/dbraw/zinc/69/19/58/417691958.db2.gz HUCBAKJGFKXOBB-GFCCVEGCSA-N 0 3 322.365 0.698 20 5 DCBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC000417757225 262260675 /nfs/dbraw/zinc/26/06/75/262260675.db2.gz AXGLQWCEUSNGSG-LBPRGKRZSA-N 0 3 308.338 0.425 20 5 DCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N1CCOCC1 ZINC000449248883 271845727 /nfs/dbraw/zinc/84/57/27/271845727.db2.gz IHKOGDGOCXABOD-GFCCVEGCSA-N 0 3 307.350 0.974 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000492557674 272135049 /nfs/dbraw/zinc/13/50/49/272135049.db2.gz DBGKVTULNMSUIN-QZDDGCDVSA-N 0 3 305.334 0.791 20 5 DCBDHN COc1cccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000516938250 272451483 /nfs/dbraw/zinc/45/14/83/272451483.db2.gz MLTDMHXSSFCPLL-VHSXEESVSA-N 0 3 306.322 0.352 20 5 DCBDHN CN1CC[C@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000290985355 290234133 /nfs/dbraw/zinc/23/41/33/290234133.db2.gz SHESSCWXNPNHOI-GXSJLCMTSA-N 0 3 305.338 0.619 20 5 DCBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000571164724 333674228 /nfs/dbraw/zinc/67/42/28/333674228.db2.gz YKUXFXHKCYRMPU-SECBINFHSA-N 0 3 302.356 0.786 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCn1cncn1 ZINC000582236259 336383695 /nfs/dbraw/zinc/38/36/95/336383695.db2.gz KLYKRCJUCWTVKH-LLVKDONJSA-N 0 3 307.310 0.216 20 5 DCBDHN N[C@@H]1C[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577410608 341908693 /nfs/dbraw/zinc/90/86/93/341908693.db2.gz AEDHPJNOCYEGLF-NWDGAFQWSA-N 0 3 319.321 0.371 20 5 DCBDHN COC(=O)[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266566838 523951298 /nfs/dbraw/zinc/95/12/98/523951298.db2.gz ZXAFYLSKSNGXPX-CMPLNLGQSA-N 0 3 312.326 0.037 20 5 DCBDHN COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736990955 598394969 /nfs/dbraw/zinc/39/49/69/598394969.db2.gz WDMDHZUYLMQAEI-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736990955 598394970 /nfs/dbraw/zinc/39/49/70/598394970.db2.gz WDMDHZUYLMQAEI-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000738368050 598499638 /nfs/dbraw/zinc/49/96/38/598499638.db2.gz CMXVQGGCOYVANC-MRVPVSSYSA-N 0 3 316.325 0.819 20 5 DCBDHN O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000738368050 598499639 /nfs/dbraw/zinc/49/96/39/598499639.db2.gz CMXVQGGCOYVANC-MRVPVSSYSA-N 0 3 316.325 0.819 20 5 DCBDHN CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000825465645 607447876 /nfs/dbraw/zinc/44/78/76/607447876.db2.gz PDSJYOKWUZQXCA-UHFFFAOYSA-N 0 3 303.326 0.917 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892784250 659454210 /nfs/dbraw/zinc/45/42/10/659454210.db2.gz HDBGVUUJULQVBM-CQSZACIVSA-N 0 3 307.354 0.700 20 5 DCBDHN C[C@]1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CN2CCC1CC2 ZINC000892785815 659455367 /nfs/dbraw/zinc/45/53/67/659455367.db2.gz PTBKRWUMWNRHEE-HNNXBMFYSA-N 0 3 320.349 0.357 20 5 DCBDHN Cc1nnc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC000985424796 662439076 /nfs/dbraw/zinc/43/90/76/662439076.db2.gz ASDSVZNRQTZSHR-VXGBXAGGSA-N 0 3 322.369 0.201 20 5 DCBDHN CN(Cc1ccon1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430267 662441852 /nfs/dbraw/zinc/44/18/52/662441852.db2.gz CZAWZDQURDHNDJ-CHWSQXEVSA-N 0 3 308.338 0.763 20 5 DCBDHN C[C@@H](NC[C@@]1(CO)COCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000903285484 663451188 /nfs/dbraw/zinc/45/11/88/663451188.db2.gz KYXYGOGONGZPLX-IUODEOHRSA-N 0 3 309.366 0.939 20 5 DCBDHN CN1CCOC[C@@]1(CO)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903277214 663451494 /nfs/dbraw/zinc/45/14/94/663451494.db2.gz FCBIPFAMAGGUEV-HOCLYGCPSA-N 0 3 321.377 0.865 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874843079 668226570 /nfs/dbraw/zinc/22/65/70/668226570.db2.gz LOXJSOWMYJTXKB-VXGBXAGGSA-N 0 3 307.354 0.795 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCCN1CCCCC1 ZINC000770357915 668689816 /nfs/dbraw/zinc/68/98/16/668689816.db2.gz GKCMWLCQYNIDKV-UHFFFAOYSA-N 0 3 309.322 0.786 20 5 DCBDHN CN1CCC(CCO)(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000787245117 669360948 /nfs/dbraw/zinc/36/09/48/669360948.db2.gz KDSRMTHNYRWKDB-UHFFFAOYSA-N 0 3 322.365 0.754 20 5 DCBDHN CS(=O)(=O)CCCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158624575 669927123 /nfs/dbraw/zinc/92/71/23/669927123.db2.gz DVFSJXFPBNPOTF-GFCCVEGCSA-N 0 3 302.352 0.653 20 5 DCBDHN CC(COC(=O)c1sccc1S(=O)(=O)N(C)C)[N+](=O)[O-] ZINC000813115131 670613058 /nfs/dbraw/zinc/61/30/58/670613058.db2.gz KZXIENHEXSIIHD-SSDOTTSWSA-N 0 3 322.364 0.820 20 5 DCBDHN Cc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc(N)n1 ZINC000840310375 670671628 /nfs/dbraw/zinc/67/16/28/670671628.db2.gz JRRZBIOWQZMLAL-UHFFFAOYSA-N 0 3 315.337 0.997 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@@H]2C)n1 ZINC000826677827 671496391 /nfs/dbraw/zinc/49/63/91/671496391.db2.gz PETPSAQWALZTAG-NSHDSACASA-N 0 3 307.354 0.854 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000829570082 671580202 /nfs/dbraw/zinc/58/02/02/671580202.db2.gz MVBPXSLZRPYVRR-NWDGAFQWSA-N 0 3 307.354 0.795 20 5 DCBDHN CCn1nc(C)c(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001020140002 693711312 /nfs/dbraw/zinc/71/13/12/693711312.db2.gz STJFSESTYDFDRE-PRULPYPASA-N 0 3 322.369 0.008 20 5 DCBDHN O=C([C@H]1C[C@@H](F)CN1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001574428170 1163721364 /nfs/dbraw/zinc/72/13/64/1163721364.db2.gz GBZZUSUWYQZWTD-GHMZBOCLSA-N 0 3 323.328 0.338 20 5 DCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC001578523544 1165040879 /nfs/dbraw/zinc/04/08/79/1165040879.db2.gz MNAINYPOYLVXQC-PJODQICGSA-N 0 3 318.377 0.931 20 5 DCBDHN N[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC001580391260 1165592826 /nfs/dbraw/zinc/59/28/26/1165592826.db2.gz YJZPMGNLUWCPDW-VXGBXAGGSA-N 0 3 324.312 0.222 20 5 DCBDHN O=C(NC[C@H]1CNCCO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580667429 1165681306 /nfs/dbraw/zinc/68/13/06/1165681306.db2.gz RLPQRVOHHQHQDL-HZSPNIEDSA-N 0 3 305.334 0.803 20 5 DCBDHN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1COC2(CNC2)C1 ZINC001580766692 1165714478 /nfs/dbraw/zinc/71/44/78/1165714478.db2.gz KJKXYCBYGQDMCW-VIFPVBQESA-N 0 3 310.285 0.986 20 5 DCBDHN C[N@@H+]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001591196284 1167145412 /nfs/dbraw/zinc/14/54/12/1167145412.db2.gz RSLZXUPQQNEHPU-RNCFNFMXSA-N 0 3 315.337 0.915 20 5 DCBDHN C[N@H+]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001591196284 1167145430 /nfs/dbraw/zinc/14/54/30/1167145430.db2.gz RSLZXUPQQNEHPU-RNCFNFMXSA-N 0 3 315.337 0.915 20 5 DCBDHN C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001591774233 1167375047 /nfs/dbraw/zinc/37/50/47/1167375047.db2.gz ZBURHQIBEOIRHE-OCAPTIKFSA-N 0 3 304.314 0.357 20 5 DCBDHN C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001591774233 1167375049 /nfs/dbraw/zinc/37/50/49/1167375049.db2.gz ZBURHQIBEOIRHE-OCAPTIKFSA-N 0 3 304.314 0.357 20 5 DCBDHN O=[N+]([O-])c1cnc(N[C@H]2C[NH+]3CCC2CC3)c(-c2nnn[n-]2)c1 ZINC001593484563 1167866391 /nfs/dbraw/zinc/86/63/91/1167866391.db2.gz FROUKXWKFYXGAO-NSHDSACASA-N 0 3 316.325 0.676 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001607077646 1170382246 /nfs/dbraw/zinc/38/22/46/1170382246.db2.gz QDANZVVMSIOMQH-TXEJJXNPSA-N 0 3 315.337 0.426 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001607077646 1170382254 /nfs/dbraw/zinc/38/22/54/1170382254.db2.gz QDANZVVMSIOMQH-TXEJJXNPSA-N 0 3 315.337 0.426 20 5 DCBDHN O=C(N[C@H](Cc1nnc[nH]1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001633251040 1171636766 /nfs/dbraw/zinc/63/67/66/1171636766.db2.gz SAXNNSAUJIAUID-IJLUTSLNSA-N 0 3 301.306 0.870 20 5 DCBDHN CN(CCO)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001638257202 1171794023 /nfs/dbraw/zinc/79/40/23/1171794023.db2.gz OMYXHPFHKQTZAE-UHFFFAOYSA-N 0 3 306.322 0.730 20 5 DCBDHN COC[C@]1(CO)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001643116882 1171966266 /nfs/dbraw/zinc/96/62/66/1171966266.db2.gz DNJTYWKWPPLDMC-HUUCEWRRSA-N 0 3 310.350 0.959 20 5 DCBDHN CN(CCO)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001643172261 1171968502 /nfs/dbraw/zinc/96/85/02/1171968502.db2.gz IFFKBVWQQSAKFB-UHFFFAOYSA-N 0 3 308.338 0.816 20 5 DCBDHN COCCN(CCC(=O)OC)CCn1cc([N+](=O)[O-])cn1 ZINC001644584039 1172011316 /nfs/dbraw/zinc/01/13/16/1172011316.db2.gz KQFCUIHSPAXTGC-UHFFFAOYSA-N 0 3 300.315 0.303 20 5 DCBDHN CN1CCC[C@H]2[C@@H]1CCN2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001651383833 1173748036 /nfs/dbraw/zinc/74/80/36/1173748036.db2.gz PFQVKJOZUFMSBD-QWRGUYRKSA-N 0 3 305.338 0.762 20 5 DCBDHN COC(=O)c1ccnc(N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001651456856 1173748915 /nfs/dbraw/zinc/74/89/15/1173748915.db2.gz HGLNHWVPYYZSQP-VIFPVBQESA-N 0 3 322.321 0.344 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3cnccn3)C2)c1 ZINC001655712571 1173825443 /nfs/dbraw/zinc/82/54/43/1173825443.db2.gz HJMVMCIWFGQPDK-YPMHNXCESA-N 0 3 318.337 0.432 20 5 DCBDHN COC1(OC)CCOC[C@@H]1NCCn1c(C)ncc1[N+](=O)[O-] ZINC001660001441 1173938795 /nfs/dbraw/zinc/93/87/95/1173938795.db2.gz GLQCGEAQUOGAOE-NSHDSACASA-N 0 3 314.342 0.467 20 5 DCBDHN CCc1onc(C)c1CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001716292183 1182309725 /nfs/dbraw/zinc/30/97/25/1182309725.db2.gz FJNRYVVJFWLBJM-WPCUQIPDSA-N 0 3 322.365 0.973 20 5 DCBDHN COc1nscc1CNCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001731910713 1185567259 /nfs/dbraw/zinc/56/72/59/1185567259.db2.gz CQODNVZOOBDYJW-NXEZZACHSA-N 0 3 314.367 0.365 20 5 DCBDHN Cc1nc(C(C)C)oc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936982 750150470 /nfs/dbraw/zinc/15/04/70/750150470.db2.gz ZUWLSRXNDFZLRO-GHMZBOCLSA-N 0 3 310.354 0.977 20 5 DCBDHN CS(=O)(=O)N(c1ncc([N+](=O)[O-])cc1Cl)C1CNC1 ZINC001166968613 757987988 /nfs/dbraw/zinc/98/79/88/757987988.db2.gz ZNMCKLPXGBBBOD-UHFFFAOYSA-N 0 3 306.731 0.381 20 5 DCBDHN Cc1nc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)oc1C ZINC001086082689 759691103 /nfs/dbraw/zinc/69/11/03/759691103.db2.gz ZTGQDZHKBXKXJE-YVECIDJPSA-N 0 3 322.365 0.941 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc[n+]([O-])cc1 ZINC001123039856 767919432 /nfs/dbraw/zinc/91/94/32/767919432.db2.gz KDHQFDDWTNQDBN-UHFFFAOYSA-N 0 3 316.317 0.748 20 5 DCBDHN CN(CCNc1cc[nH]c(=O)c1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001101633323 764209915 /nfs/dbraw/zinc/20/99/15/764209915.db2.gz LNNARLRHBVMJPZ-UHFFFAOYSA-N 0 3 323.353 0.662 20 5 DCBDHN CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001101927009 764429545 /nfs/dbraw/zinc/42/95/45/764429545.db2.gz JMEOYDUYAQYUIR-UHFFFAOYSA-N 0 3 311.342 0.517 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ncccn1 ZINC001135600362 766001315 /nfs/dbraw/zinc/00/13/15/766001315.db2.gz SWYQCIGVEOHHJG-UHFFFAOYSA-N 0 3 301.306 0.904 20 5 DCBDHN Cn1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])nn1 ZINC001157453693 771612069 /nfs/dbraw/zinc/61/20/69/771612069.db2.gz CEVAVKREVNYOMR-UHFFFAOYSA-N 0 3 318.337 0.633 20 5 DCBDHN CCOC(=O)c1ccnc(N[C@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159502458 771920873 /nfs/dbraw/zinc/92/08/73/771920873.db2.gz NBKVQYAXBKNULU-MWLCHTKSSA-N 0 3 324.337 0.955 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccsn1 ZINC001160698137 772098722 /nfs/dbraw/zinc/09/87/22/772098722.db2.gz RWOQRBJQGFTVTQ-UHFFFAOYSA-N 0 3 324.366 0.695 20 5 DCBDHN Cc1cc(NCc2nnn3c2CNCCC3)ncc1[N+](=O)[O-] ZINC001162971331 772437538 /nfs/dbraw/zinc/43/75/38/772437538.db2.gz BWIOQFKXDJNLCR-UHFFFAOYSA-N 0 3 303.326 0.995 20 5 DCBDHN COc1cnc(NCc2nnn3c2CNCCC3)cc1[N+](=O)[O-] ZINC001162974311 772438102 /nfs/dbraw/zinc/43/81/02/772438102.db2.gz XZPMBJLULOCLIT-UHFFFAOYSA-N 0 3 319.325 0.695 20 5 DCBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncc(F)c1 ZINC001266391109 939103674 /nfs/dbraw/zinc/10/36/74/939103674.db2.gz ZMHZHFLYBLSCMG-CHWSQXEVSA-N 0 3 310.329 0.824 20 5 DCBDHN CN(C)[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319474284 945597248 /nfs/dbraw/zinc/59/72/48/945597248.db2.gz NKDBQXVOHMAKCI-NWDGAFQWSA-N 0 3 322.365 0.746 20 5 DCBDHN CON(C)C(=O)CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001462361925 1013064972 /nfs/dbraw/zinc/06/49/72/1013064972.db2.gz PIRYIELEGPHQIF-JTQLQIEISA-N 0 3 324.337 0.921 20 5 DCBDHN NC(=O)COC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001324938743 947579584 /nfs/dbraw/zinc/57/95/84/947579584.db2.gz JVZKDDWLTPGOQR-AWEZNQCLSA-N 0 3 323.349 0.595 20 5 DCBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC001263163637 947816600 /nfs/dbraw/zinc/81/66/00/947816600.db2.gz WDHKRGRTJROGOK-UHFFFAOYSA-N 0 3 323.324 0.867 20 5 DCBDHN Cc1nc(N2CN(CCN(C)C)C(=O)[C@H]2C)ncc1[N+](=O)[O-] ZINC001329255309 949465843 /nfs/dbraw/zinc/46/58/43/949465843.db2.gz YAJZOKQUKAXXPD-SNVBAGLBSA-N 0 3 308.342 0.249 20 5 DCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC001302245447 960016479 /nfs/dbraw/zinc/01/64/79/960016479.db2.gz NIXBGFOTDRWPAB-NSHDSACASA-N 0 3 322.365 0.873 20 5 DCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001304077716 960076464 /nfs/dbraw/zinc/07/64/64/960076464.db2.gz BYANXSOWCCVOAL-JTQLQIEISA-N 0 3 320.349 0.839 20 5 DCBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC001454608732 1009224073 /nfs/dbraw/zinc/22/40/73/1009224073.db2.gz NWFTZAFEZSLGLM-JTQLQIEISA-N 0 3 322.365 0.752 20 5 DCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC(N[C@@H]2CCOC2)C1 ZINC001456299563 1010178004 /nfs/dbraw/zinc/17/80/04/1010178004.db2.gz VLSUJMNJSLZJNU-GFCCVEGCSA-N 0 3 305.334 0.727 20 5 DCBDHN COC(=O)c1ccnc(N2C[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001458393369 1012168212 /nfs/dbraw/zinc/16/82/12/1012168212.db2.gz GOJPGRITAKCYMG-KOLCDFICSA-N 0 3 306.322 0.917 20 5 DCBDHN C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000330903332 232150312 /nfs/dbraw/zinc/15/03/12/232150312.db2.gz LPDAHGZWZLJISH-WDEREUQCSA-N 0 3 308.338 0.355 20 5 DCBDHN COC[C@H](CO)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279634333 215021279 /nfs/dbraw/zinc/02/12/79/215021279.db2.gz CGQOAKURGKOHIP-JQWIXIFHSA-N 0 3 311.338 0.909 20 5 DCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCCNCC1 ZINC000423617270 282580530 /nfs/dbraw/zinc/58/05/30/282580530.db2.gz XNKUFRUVDQPJHD-UHFFFAOYSA-N 0 3 320.349 0.375 20 5 DCBDHN CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160272440 291238103 /nfs/dbraw/zinc/23/81/03/291238103.db2.gz NTMSTWXVGJJTOA-UHFFFAOYSA-N 0 3 324.381 0.866 20 5 DCBDHN Cn1cncc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567378818 291351835 /nfs/dbraw/zinc/35/18/35/291351835.db2.gz SADOGOREBOJATF-GFCCVEGCSA-N 0 3 306.322 0.858 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000573141176 291614272 /nfs/dbraw/zinc/61/42/72/291614272.db2.gz UXEKBWWKKLEVCX-VXGBXAGGSA-N 0 3 319.321 0.371 20 5 DCBDHN COCCN(CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272985066 210363738 /nfs/dbraw/zinc/36/37/38/210363738.db2.gz DRRHHHYFDMSHJI-GFCCVEGCSA-N 0 3 314.338 0.275 20 5 DCBDHN COC(=O)COc1ccc(CN(C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000349300763 254279871 /nfs/dbraw/zinc/27/98/71/254279871.db2.gz TXUNPZZTZDDIAJ-JTQLQIEISA-N 0 3 312.322 0.959 20 5 DCBDHN C[NH2+]CCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000036298069 395722899 /nfs/dbraw/zinc/72/28/99/395722899.db2.gz YAGFTHUUXLAUDM-UHFFFAOYSA-N 0 3 303.340 0.491 20 5 DCBDHN CN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000042059881 395742658 /nfs/dbraw/zinc/74/26/58/395742658.db2.gz OSWSJBZISNDCCH-UHFFFAOYSA-N 0 3 309.370 0.680 20 5 DCBDHN CCOc1ccc(C(=O)NCCNCCOC)cc1[N+](=O)[O-] ZINC000237080805 395902492 /nfs/dbraw/zinc/90/24/92/395902492.db2.gz RZZBSUOGAGQFHK-UHFFFAOYSA-N 0 3 311.338 0.959 20 5 DCBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000272135852 395872202 /nfs/dbraw/zinc/87/22/02/395872202.db2.gz CRAIWBGBNVJQJR-NSHDSACASA-N 0 3 309.370 0.980 20 5 DCBDHN CN(CC1CCN(C)CC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151718474 395991282 /nfs/dbraw/zinc/99/12/82/395991282.db2.gz NAPXUDJOHDMVJU-UHFFFAOYSA-N 0 3 324.385 0.775 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)CCO ZINC000154921205 396044869 /nfs/dbraw/zinc/04/48/69/396044869.db2.gz DBVGQYRSSQQMEC-UHFFFAOYSA-N 0 3 311.338 0.518 20 5 DCBDHN COCCCN(C)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000152327614 396006554 /nfs/dbraw/zinc/00/65/54/396006554.db2.gz GJIOJTFIOIONRU-UHFFFAOYSA-N 0 3 313.358 0.184 20 5 DCBDHN CN(CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000066924484 396018316 /nfs/dbraw/zinc/01/83/16/396018316.db2.gz ZEZAQMRHAGAJOD-UHFFFAOYSA-N 0 3 320.349 0.535 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CO)c2ccccc2)c1 ZINC000170846600 396098587 /nfs/dbraw/zinc/09/85/87/396098587.db2.gz IRSUXFVOQQVUNL-KBPBESRZSA-N 0 3 306.322 0.475 20 5 DCBDHN CO[C@@H](CN)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000262523124 396150257 /nfs/dbraw/zinc/15/02/57/396150257.db2.gz OLOQOLDBJKRIHM-ZDUSSCGKSA-N 0 3 308.338 0.217 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000184384826 396293426 /nfs/dbraw/zinc/29/34/26/396293426.db2.gz NKKBWXHJMSKOGG-LLVKDONJSA-N 0 3 310.354 0.944 20 5 DCBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283011317 396299122 /nfs/dbraw/zinc/29/91/22/396299122.db2.gz HDJTZVZEOPGUQM-UHFFFAOYSA-N 0 3 314.317 0.360 20 5 DCBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CN1C1CC1 ZINC000185281829 396323836 /nfs/dbraw/zinc/32/38/36/396323836.db2.gz STOFKFBYRYBCGK-BDAKNGLRSA-N 0 3 305.338 0.927 20 5 DCBDHN C[C@H](C[S@](C)=O)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580184383 396491719 /nfs/dbraw/zinc/49/17/19/396491719.db2.gz XUSZTSKQSOPIPQ-VPOQAHPWSA-N 0 3 316.379 0.691 20 5 DCBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588860137 396695725 /nfs/dbraw/zinc/69/57/25/396695725.db2.gz DXSONEYXJHTPMU-UONOGXRCSA-N 0 3 319.361 0.805 20 5 DCBDHN CN(C)C[C@@H](CO)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000589101355 396704453 /nfs/dbraw/zinc/70/44/53/396704453.db2.gz ALJYESXXNIGRBN-JTQLQIEISA-N 0 3 308.338 0.814 20 5 DCBDHN C[N@H+](CCCO)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596129209 396722183 /nfs/dbraw/zinc/72/21/83/396722183.db2.gz QKWSKJGXSGVBAU-UHFFFAOYSA-N 0 3 310.354 0.978 20 5 DCBDHN C[N@@H+](CCCO)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596129209 396722188 /nfs/dbraw/zinc/72/21/88/396722188.db2.gz QKWSKJGXSGVBAU-UHFFFAOYSA-N 0 3 310.354 0.978 20 5 DCBDHN CC(C)[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315219603 396788976 /nfs/dbraw/zinc/78/89/76/396788976.db2.gz JSCKYYOUEBQAIK-ZDUSSCGKSA-N 0 3 307.354 0.622 20 5 DCBDHN CCCc1n[nH]c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000590386063 396766568 /nfs/dbraw/zinc/76/65/68/396766568.db2.gz UATWQEVNIGOBAV-UWVGGRQHSA-N 0 3 311.342 0.017 20 5 DCBDHN CCCc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000590386063 396766575 /nfs/dbraw/zinc/76/65/75/396766575.db2.gz UATWQEVNIGOBAV-UWVGGRQHSA-N 0 3 311.342 0.017 20 5 DCBDHN C[C@](CO)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000322480699 396818671 /nfs/dbraw/zinc/81/86/71/396818671.db2.gz BQCKSFOBYXGLLO-HUUCEWRRSA-N 0 3 320.349 0.650 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccn3ccnc3c2)c1 ZINC000591754397 396997536 /nfs/dbraw/zinc/99/75/36/396997536.db2.gz IYLVHRZAQYSCDT-CYBMUJFWSA-N 0 3 316.321 0.590 20 5 DCBDHN O=C1CCC[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])N1 ZINC000591763687 396998875 /nfs/dbraw/zinc/99/88/75/396998875.db2.gz BNHQNIABXZFHGU-NWDGAFQWSA-N 0 3 323.349 0.593 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCOC2)cc1 ZINC000612610452 397103564 /nfs/dbraw/zinc/10/35/64/397103564.db2.gz HVQFOWNSIIHVKT-LLVKDONJSA-N 0 3 314.363 0.995 20 5 DCBDHN CCOc1ccc(C(=O)N[C@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000597654257 397046297 /nfs/dbraw/zinc/04/62/97/397046297.db2.gz REUWOKXYMOSIOJ-NSHDSACASA-N 0 3 311.338 0.646 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2C=C[C@H](CO)C2)c1 ZINC000592430819 397175175 /nfs/dbraw/zinc/17/51/75/397175175.db2.gz LBKUSVHXROUTMR-OUCADQQQSA-N 0 3 308.334 0.861 20 5 DCBDHN CN(C)C[C@H](CO)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592432171 397176225 /nfs/dbraw/zinc/17/62/25/397176225.db2.gz JWUMCWUONKYJPI-LLVKDONJSA-N 0 3 310.354 0.436 20 5 DCBDHN Cc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000572900637 397110766 /nfs/dbraw/zinc/11/07/66/397110766.db2.gz MCCLJHFQGHGNMG-VXGBXAGGSA-N 0 3 318.333 0.287 20 5 DCBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000367583842 397404902 /nfs/dbraw/zinc/40/49/02/397404902.db2.gz GDRHZZNLBASSKP-CHWSQXEVSA-N 0 3 309.370 0.586 20 5 DCBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000367583843 397405325 /nfs/dbraw/zinc/40/53/25/397405325.db2.gz GDRHZZNLBASSKP-OLZOCXBDSA-N 0 3 309.370 0.586 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594204687 397513306 /nfs/dbraw/zinc/51/33/06/397513306.db2.gz WRAPIXARHQSROI-STQMWFEESA-N 0 3 307.354 0.924 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000602890190 397513891 /nfs/dbraw/zinc/51/38/91/397513891.db2.gz XJHLJHLQMAMCGV-NEPJUHHUSA-N 0 3 307.354 0.700 20 5 DCBDHN C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000086471328 158091496 /nfs/dbraw/zinc/09/14/96/158091496.db2.gz ZBDYVYHRKRUHKL-RKDXNWHRSA-N 0 3 314.367 0.429 20 5 DCBDHN CC[C@@](C)(NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000133556682 158320994 /nfs/dbraw/zinc/32/09/94/158320994.db2.gz GGGKEAIKWIKQPZ-SMDDNHRTSA-N 0 3 311.338 0.578 20 5 DCBDHN Nc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000320727501 159010811 /nfs/dbraw/zinc/01/08/11/159010811.db2.gz DQSZZFURJZPPAW-NEPJUHHUSA-N 0 3 320.349 0.770 20 5 DCBDHN NC(=O)C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000367308138 159330544 /nfs/dbraw/zinc/33/05/44/159330544.db2.gz NIGKXEAYXUPCPF-AAEUAGOBSA-N 0 3 323.349 0.532 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000367822135 159357923 /nfs/dbraw/zinc/35/79/23/159357923.db2.gz KFWWXKFFVWAOKA-UKRRQHHQSA-N 0 3 324.381 0.901 20 5 DCBDHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCCNCC1 ZINC000237875857 287067377 /nfs/dbraw/zinc/06/73/77/287067377.db2.gz AOZTZRIDVZMGKI-UHFFFAOYSA-N 0 3 316.321 0.611 20 5 DCBDHN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1 ZINC000370730892 287224248 /nfs/dbraw/zinc/22/42/48/287224248.db2.gz REFHEVBNOIRJOZ-QWRGUYRKSA-N 0 3 317.342 0.714 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000268199139 415175135 /nfs/dbraw/zinc/17/51/35/415175135.db2.gz ODXDIJWHMHBZGG-MFKMUULPSA-N 0 3 307.354 0.780 20 5 DCBDHN C[C@@H](CN1CCOCC1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000279699500 415522271 /nfs/dbraw/zinc/52/22/71/415522271.db2.gz IQBJKUDHSHLPFX-ZDUSSCGKSA-N 0 3 324.381 0.409 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000153119890 415974368 /nfs/dbraw/zinc/97/43/68/415974368.db2.gz PPWNKJVHXQFPOL-AWEZNQCLSA-N 0 3 310.354 0.436 20 5 DCBDHN CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCN(C)C1 ZINC000153932538 415989673 /nfs/dbraw/zinc/98/96/73/415989673.db2.gz FFUSYONSQCKECC-NSHDSACASA-N 0 3 308.338 0.309 20 5 DCBDHN COC(=O)c1cnc(NCCOCCN(C)C)c([N+](=O)[O-])c1 ZINC000357683994 416116737 /nfs/dbraw/zinc/11/67/37/416116737.db2.gz AJVVGMQPLAYDMO-UHFFFAOYSA-N 0 3 312.326 0.767 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000358058245 416181658 /nfs/dbraw/zinc/18/16/58/416181658.db2.gz CIBJPNCYHREBPX-CQSZACIVSA-N 0 3 309.322 0.156 20 5 DCBDHN O=C(NCCNc1ccncc1)Nc1ccncc1[N+](=O)[O-] ZINC000346007254 416183632 /nfs/dbraw/zinc/18/36/32/416183632.db2.gz ZWYLYVZNSWCMMC-UHFFFAOYSA-N 0 3 302.294 0.462 20 5 DCBDHN COc1cc(CNC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000358163215 416203990 /nfs/dbraw/zinc/20/39/90/416203990.db2.gz IRQLVUIOFBPXQZ-AWEZNQCLSA-N 0 3 311.338 0.465 20 5 DCBDHN COc1cc(CNC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000358163215 416203995 /nfs/dbraw/zinc/20/39/95/416203995.db2.gz IRQLVUIOFBPXQZ-AWEZNQCLSA-N 0 3 311.338 0.465 20 5 DCBDHN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1CC(C)(C)O ZINC000331288009 416301698 /nfs/dbraw/zinc/30/16/98/416301698.db2.gz IFTWCPJSCQBMPA-LLVKDONJSA-N 0 3 311.386 0.605 20 5 DCBDHN CCN(CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000263661911 416338769 /nfs/dbraw/zinc/33/87/69/416338769.db2.gz AWVDYZQWFAXROD-UHFFFAOYSA-N 0 3 308.338 0.357 20 5 DCBDHN CN1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000583430402 416462675 /nfs/dbraw/zinc/46/26/75/416462675.db2.gz RMUQVLGZAQCKLX-CYBMUJFWSA-N 0 3 321.381 0.422 20 5 DCBDHN CC(C)N1CC[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000458555544 416481127 /nfs/dbraw/zinc/48/11/27/416481127.db2.gz JCQIWAVXEWFTQT-GFCCVEGCSA-N 0 3 324.385 0.915 20 5 DCBDHN CNc1nccc(C(=O)NC[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000582190033 416448175 /nfs/dbraw/zinc/44/81/75/416448175.db2.gz IFWGGBBQAQNSLP-SNVBAGLBSA-N 0 3 319.365 1.246 20 5 DCBDHN Cn1ccnc1[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068895 416536883 /nfs/dbraw/zinc/53/68/83/416536883.db2.gz PZSHCYJOAORYQQ-WCQYABFASA-N 0 3 320.353 0.375 20 5 DCBDHN O=C(NC[C@H]1CNCCO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000423997242 416602176 /nfs/dbraw/zinc/60/21/76/416602176.db2.gz XYVFQTOARHPIBG-SECBINFHSA-N 0 3 305.294 0.189 20 5 DCBDHN N[C@H]1Cc2ccccc2N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000424075418 416608560 /nfs/dbraw/zinc/60/85/60/416608560.db2.gz MBUSPEWCQXVJEL-NSHDSACASA-N 0 3 301.306 0.708 20 5 DCBDHN C[C@@H]1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CN1C1CC1 ZINC000548092004 416685062 /nfs/dbraw/zinc/68/50/62/416685062.db2.gz USXOBNPOJAUOPD-BDAKNGLRSA-N 0 3 305.338 0.927 20 5 DCBDHN CN(C)CCOCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000441833338 416681769 /nfs/dbraw/zinc/68/17/69/416681769.db2.gz NOLUZCRBTFEYKR-UHFFFAOYSA-N 0 3 324.337 0.228 20 5 DCBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)Cn1ccnn1 ZINC000514951492 416685022 /nfs/dbraw/zinc/68/50/22/416685022.db2.gz LOUJCLWSGCAFRW-GWCFXTLKSA-N 0 3 303.322 0.824 20 5 DCBDHN CN(C)C[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000517082573 416780058 /nfs/dbraw/zinc/78/00/58/416780058.db2.gz ZOUJCEHIYDIEOZ-LBPRGKRZSA-N 0 3 322.365 0.699 20 5 DCBDHN CC(C)N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000520901774 416983495 /nfs/dbraw/zinc/98/34/95/416983495.db2.gz FOKMHSCAMIWKQL-UHFFFAOYSA-N 0 3 321.381 0.979 20 5 DCBDHN O=C1NCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000568483119 417141820 /nfs/dbraw/zinc/14/18/20/417141820.db2.gz GFQOPYSBYYCTPE-GFCCVEGCSA-N 0 3 319.365 0.638 20 5 DCBDHN CN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000576038060 417574394 /nfs/dbraw/zinc/57/43/94/417574394.db2.gz URLWRPIRXIMTPL-LLVKDONJSA-N 0 3 308.338 0.075 20 5 DCBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](CN)C1 ZINC000576702202 417629851 /nfs/dbraw/zinc/62/98/51/417629851.db2.gz OLLXQNZGLWFHAJ-JTQLQIEISA-N 0 3 312.757 0.963 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1CCCCC1 ZINC000299493065 229151821 /nfs/dbraw/zinc/15/18/21/229151821.db2.gz IVGZDJIFRMEMBN-UHFFFAOYSA-N 0 3 308.338 0.359 20 5 DCBDHN CN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000316576519 261175217 /nfs/dbraw/zinc/17/52/17/261175217.db2.gz LUBCKXFWZBOAED-BTKRWWFXSA-N 0 3 304.350 0.709 20 5 DCBDHN CN(C)C1(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000419001318 262302755 /nfs/dbraw/zinc/30/27/55/262302755.db2.gz AMWMLXPPROZEHK-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN CN1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000517456973 272468406 /nfs/dbraw/zinc/46/84/06/272468406.db2.gz FFNCFUCYKKRDDX-NSHDSACASA-N 0 3 308.338 0.215 20 5 DCBDHN CCN(CC)CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000078440743 276321989 /nfs/dbraw/zinc/32/19/89/276321989.db2.gz IPNYSACJZTVNQR-UHFFFAOYSA-N 0 3 321.381 0.980 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000580368955 336260913 /nfs/dbraw/zinc/26/09/13/336260913.db2.gz PBGSMWHRXCMHRW-HNNXBMFYSA-N 0 3 320.349 0.364 20 5 DCBDHN Cc1n[nH]c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000725895550 659260584 /nfs/dbraw/zinc/26/05/84/659260584.db2.gz HACDOXUYLVYAGB-UWVGGRQHSA-N 0 3 309.326 0.219 20 5 DCBDHN O=C(N[C@H]1C[C@H](CNCc2ncccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983648875 661997109 /nfs/dbraw/zinc/99/71/09/661997109.db2.gz KTVTWDLTFPSDDF-DDHJBXDOSA-N 0 3 305.338 0.126 20 5 DCBDHN CN(CCO)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000899726492 663182438 /nfs/dbraw/zinc/18/24/38/663182438.db2.gz ODXDXDZTYIMWTH-UHFFFAOYSA-N 0 3 301.730 0.902 20 5 DCBDHN CSc1ccc(C(=O)NCCN(C)CCO)cc1[N+](=O)[O-] ZINC000899726540 663182489 /nfs/dbraw/zinc/18/24/89/663182489.db2.gz PGHOYJHYKZMKCB-UHFFFAOYSA-N 0 3 313.379 0.971 20 5 DCBDHN O=C(NC1CCN(Cc2cncs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002788828 666222555 /nfs/dbraw/zinc/22/25/55/666222555.db2.gz PZMVLHYMWKQWSQ-VXGBXAGGSA-N 0 3 310.379 0.889 20 5 DCBDHN CCN(CCO)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867462766 667405769 /nfs/dbraw/zinc/40/57/69/667405769.db2.gz UZROSQXWFJJHAR-UHFFFAOYSA-N 0 3 313.329 0.707 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747232256 667898090 /nfs/dbraw/zinc/89/80/90/667898090.db2.gz VLICREXRJNZNHZ-PWSUYJOCSA-N 0 3 308.338 0.526 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889779258 667996541 /nfs/dbraw/zinc/99/65/41/667996541.db2.gz DJCGPFMQECHKSA-QWHCGFSZSA-N 0 3 322.365 0.605 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874843078 668226211 /nfs/dbraw/zinc/22/62/11/668226211.db2.gz LOXJSOWMYJTXKB-RYUDHWBXSA-N 0 3 307.354 0.795 20 5 DCBDHN CN(C)C[C@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000876940551 668539430 /nfs/dbraw/zinc/53/94/30/668539430.db2.gz VLEIWVJDIGDQNT-AWEZNQCLSA-N 0 3 306.366 0.975 20 5 DCBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1(O)CCOCC1 ZINC000930355569 669000346 /nfs/dbraw/zinc/00/03/46/669000346.db2.gz ZONRXMBUGRCHTD-OAHLLOKOSA-N 0 3 324.377 0.972 20 5 DCBDHN NC(=O)c1ccnc(NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000811782105 670548485 /nfs/dbraw/zinc/54/84/85/670548485.db2.gz GMROMKFQUVJJIQ-NXEZZACHSA-N 0 3 321.337 0.364 20 5 DCBDHN CC(COC(=O)CCCN1C(=O)NC(C)(C)C1=O)[N+](=O)[O-] ZINC000813104316 670611881 /nfs/dbraw/zinc/61/18/81/670611881.db2.gz MIGNMZPAQSLGKI-QMMMGPOBSA-N 0 3 301.299 0.305 20 5 DCBDHN CC(COC(=O)Cn1cc(C(N)=O)c2ccccc21)[N+](=O)[O-] ZINC000813109507 670612031 /nfs/dbraw/zinc/61/20/31/670612031.db2.gz JZRDDFBNRQDTMY-VIFPVBQESA-N 0 3 305.290 0.949 20 5 DCBDHN CC(COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[N+](=O)[O-] ZINC000813112033 670612036 /nfs/dbraw/zinc/61/20/36/670612036.db2.gz MOCNFSCDRYENDK-UWVGGRQHSA-N 0 3 318.326 0.831 20 5 DCBDHN CC(COC(=O)CCn1nnc2ccccc2c1=O)[N+](=O)[O-] ZINC000813115559 670613182 /nfs/dbraw/zinc/61/31/82/670613182.db2.gz VGULDNBITOSKHV-SECBINFHSA-N 0 3 306.278 0.390 20 5 DCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855698297 670748018 /nfs/dbraw/zinc/74/80/18/670748018.db2.gz PGSKASNHGNEHKE-UHFFFAOYSA-N 0 3 316.402 0.300 20 5 DCBDHN C[C@H](NCC(=O)N1CCNCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945561 670955906 /nfs/dbraw/zinc/95/59/06/670955906.db2.gz GIIQJKIGYIMBSF-JTQLQIEISA-N 0 3 307.354 0.259 20 5 DCBDHN CCN(CCO)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829551636 671579448 /nfs/dbraw/zinc/57/94/48/671579448.db2.gz MVBMUIRUSJXNLZ-CYBMUJFWSA-N 0 3 311.338 0.059 20 5 DCBDHN CN1CCN(CCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1(C)C ZINC000831243849 671660733 /nfs/dbraw/zinc/66/07/33/671660733.db2.gz YGODSENLBONGNE-UHFFFAOYSA-N 0 3 314.430 0.964 20 5 DCBDHN Nc1nccc(N2CCC[C@@H](OC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000842347637 672006957 /nfs/dbraw/zinc/00/69/57/672006957.db2.gz RGMFIPGWRRVIPE-OPRDCNLKSA-N 0 3 307.310 0.236 20 5 DCBDHN CN(C)CCN1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1=O ZINC000845631089 672268109 /nfs/dbraw/zinc/26/81/09/672268109.db2.gz XFMGVQMXFMEHQM-UHFFFAOYSA-N 0 3 307.354 0.387 20 5 DCBDHN O=C(N[C@H]1C[C@H](NCc2ncc(C3CC3)o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139160 693709470 /nfs/dbraw/zinc/70/94/70/693709470.db2.gz UJSNIBMYMROEIU-DDHJBXDOSA-N 0 3 320.349 0.954 20 5 DCBDHN CCCn1ncnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138862 693709891 /nfs/dbraw/zinc/70/98/91/693709891.db2.gz FIRTVQKRASLVBX-DDHJBXDOSA-N 0 3 322.369 0.090 20 5 DCBDHN Cc1cc(OS(=O)(=O)C[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001579639839 1165368349 /nfs/dbraw/zinc/36/83/49/1165368349.db2.gz VEWDZSTZSXTISH-LLVKDONJSA-N 0 3 316.335 0.600 20 5 DCBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CNCCO2)c1F ZINC001579642625 1165369774 /nfs/dbraw/zinc/36/97/74/1165369774.db2.gz NANHXNWYPFAXAN-MRVPVSSYSA-N 0 3 315.276 0.900 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1Cc2ccccc2CN1 ZINC001580578842 1165643124 /nfs/dbraw/zinc/64/31/24/1165643124.db2.gz NVIJMSGKZHXPLX-CYBMUJFWSA-N 0 3 315.333 0.622 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CSCC[NH2+]1 ZINC001593472351 1167864800 /nfs/dbraw/zinc/86/48/00/1167864800.db2.gz ZTKDNSDABJEESH-MRVPVSSYSA-N 0 3 322.354 0.287 20 5 DCBDHN CC1(C)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC001603786957 1169390715 /nfs/dbraw/zinc/39/07/15/1169390715.db2.gz FKCJQEHMKFOUTL-UHFFFAOYSA-N 0 3 303.326 0.963 20 5 DCBDHN CC1(C)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC001603786957 1169390723 /nfs/dbraw/zinc/39/07/23/1169390723.db2.gz FKCJQEHMKFOUTL-UHFFFAOYSA-N 0 3 303.326 0.963 20 5 DCBDHN C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC001633829583 1171654588 /nfs/dbraw/zinc/65/45/88/1171654588.db2.gz MXFOJNRFAWXLSH-LLVKDONJSA-N 0 3 320.349 0.523 20 5 DCBDHN CNc1c(C(=O)N2CC(N[C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001645426485 1172041555 /nfs/dbraw/zinc/04/15/55/1172041555.db2.gz RTFGGMBIKYGEIB-SNVBAGLBSA-N 0 3 320.349 0.839 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001645434755 1172043701 /nfs/dbraw/zinc/04/37/01/1172043701.db2.gz HRMRANRRPCOXTG-MNOVXSKESA-N 0 3 309.326 0.530 20 5 DCBDHN Cn1nnnc1CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001654503595 1173806372 /nfs/dbraw/zinc/80/63/72/1173806372.db2.gz NREDMGOEPGBUKF-CYBMUJFWSA-N 0 3 306.326 0.158 20 5 DCBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ncn(C)n1 ZINC001713588461 1180946287 /nfs/dbraw/zinc/94/62/87/1180946287.db2.gz DDVKPZXRWIMVFE-UHFFFAOYSA-N 0 3 318.337 0.585 20 5 DCBDHN O=C(NC1(CO)CCN(C/C=C/Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001717350406 1182795825 /nfs/dbraw/zinc/79/58/25/1182795825.db2.gz BLBFSKQTCSGOEU-HOXXMDGGSA-N 0 3 317.773 0.347 20 5 DCBDHN O=C(NC1(CNCc2cnon2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001732228733 1185741896 /nfs/dbraw/zinc/74/18/96/1185741896.db2.gz IYWCVWHHZSXKBR-GHMZBOCLSA-N 0 3 309.326 0.253 20 5 DCBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ncc(O)cn3)CC2)C1 ZINC001169042118 760557230 /nfs/dbraw/zinc/55/72/30/760557230.db2.gz CYJMDWSZOJESSX-RYUDHWBXSA-N 0 3 307.354 0.750 20 5 DCBDHN Cn1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cn1 ZINC001123347674 767966644 /nfs/dbraw/zinc/96/66/44/767966644.db2.gz DYBXAKZERUSAKI-UHFFFAOYSA-N 0 3 303.322 0.848 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001116633892 765890677 /nfs/dbraw/zinc/89/06/77/765890677.db2.gz LSCQRYKTBZWYER-NSHDSACASA-N 0 3 324.385 0.084 20 5 DCBDHN O=C(CN[C@@H](CO)[C@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC001171144953 766812530 /nfs/dbraw/zinc/81/25/30/766812530.db2.gz SLOBRDATFCSSOZ-AAEUAGOBSA-N 0 3 323.349 0.910 20 5 DCBDHN C[NH+](C)CCCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094094133 768860010 /nfs/dbraw/zinc/86/00/10/768860010.db2.gz JNSRXUOMVYEPAU-UHFFFAOYSA-N 0 3 311.342 0.565 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)C[C@H](O)CO)c1F ZINC001173186283 769556315 /nfs/dbraw/zinc/55/63/15/769556315.db2.gz PKWQHLSGVFTHAQ-UWVGGRQHSA-N 0 3 316.329 0.959 20 5 DCBDHN NC(=O)CCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001153455944 769817596 /nfs/dbraw/zinc/81/75/96/769817596.db2.gz RPBRAUBJDYJJDL-UHFFFAOYSA-N 0 3 308.338 0.456 20 5 DCBDHN COc1nc(N2CCO[C@H](CN3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158306329 771756634 /nfs/dbraw/zinc/75/66/34/771756634.db2.gz XHPPQRVIEHWTEU-LLVKDONJSA-N 0 3 323.353 0.694 20 5 DCBDHN COC(=O)c1ccnc(N[C@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159497213 771919703 /nfs/dbraw/zinc/91/97/03/771919703.db2.gz HESOZBRVYRGXNB-PSASIEDQSA-N 0 3 310.310 0.565 20 5 DCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2CNCCO2)n1 ZINC001159502590 771921121 /nfs/dbraw/zinc/92/11/21/771921121.db2.gz NTVHJNABUDMNPL-XCBNKYQSSA-N 0 3 324.341 0.440 20 5 DCBDHN COC(=O)c1ccnc(N2CC[C@@H]3NCCO[C@H]3C2)c1[N+](=O)[O-] ZINC001165270377 772713771 /nfs/dbraw/zinc/71/37/71/772713771.db2.gz DDOPEHMIGWYGHE-QWRGUYRKSA-N 0 3 322.321 0.344 20 5 DCBDHN O=C(NC/C=C\CNCc1ccc(F)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC001483007188 941774539 /nfs/dbraw/zinc/77/45/39/941774539.db2.gz GRKSXHAUGNULKV-IKGCNYHESA-N 0 3 308.313 0.648 20 5 DCBDHN COc1ccc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001317448058 944976256 /nfs/dbraw/zinc/97/62/56/944976256.db2.gz MPJADZSDCGAPDK-VXGBXAGGSA-N 0 3 308.338 0.303 20 5 DCBDHN CC(C)(C)CCCN1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001278864496 946497548 /nfs/dbraw/zinc/49/75/48/946497548.db2.gz WKAFASDIARZBIA-VXGBXAGGSA-N 0 3 313.398 0.641 20 5 DCBDHN C[C@H](c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001338056530 952955707 /nfs/dbraw/zinc/95/57/07/952955707.db2.gz KWZDAKKXVQFKPH-VXGBXAGGSA-N 0 3 324.385 0.311 20 5 DCBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(C[N+](=O)[O-])n1C ZINC001339663303 953110838 /nfs/dbraw/zinc/11/08/38/953110838.db2.gz AJWCZTWAIGWCNV-LLVKDONJSA-N 0 3 324.385 0.281 20 5 DCBDHN CN1CCNC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001339933865 953132441 /nfs/dbraw/zinc/13/24/41/953132441.db2.gz FQQOIIVOXFATCQ-CQSZACIVSA-N 0 3 304.350 0.383 20 5 DCBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC001346109703 953802974 /nfs/dbraw/zinc/80/29/74/953802974.db2.gz KGTNYPVFUKNCDT-LLVKDONJSA-N 0 3 315.395 0.908 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001347858252 954174007 /nfs/dbraw/zinc/17/40/07/954174007.db2.gz ZTLQFGPUTQMULV-LLVKDONJSA-N 0 3 323.353 0.311 20 5 DCBDHN C[C@H]1[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC001303798404 960063802 /nfs/dbraw/zinc/06/38/02/960063802.db2.gz AUFDGDCFCQMSSQ-GWCFXTLKSA-N 0 3 320.349 0.533 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](O)[C@@H](O)C1 ZINC001308005538 960163058 /nfs/dbraw/zinc/16/30/58/960163058.db2.gz JSEPPCTXBPNCBC-KGLIPLIRSA-N 0 3 323.349 0.659 20 5 DCBDHN CN1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001311240603 960248769 /nfs/dbraw/zinc/24/87/69/960248769.db2.gz FYHMJKHJJFZKAN-SNVBAGLBSA-N 0 3 321.337 0.909 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001471641174 1016611792 /nfs/dbraw/zinc/61/17/92/1016611792.db2.gz BTIIICMTTPQDEM-NWDGAFQWSA-N 0 3 320.349 0.458 20 5 DCBDHN Nc1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001558549112 1012364904 /nfs/dbraw/zinc/36/49/04/1012364904.db2.gz MLOPILCBHNNIBT-SNVBAGLBSA-N 0 3 306.322 0.380 20 5 DCBDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2cn(C)nc2[N+](=O)[O-])C1 ZINC001460406889 1012904505 /nfs/dbraw/zinc/90/45/05/1012904505.db2.gz QMOZFYUPONYNAX-RTXFEEFZSA-N 0 3 312.370 0.984 20 5 DCBDHN CN1CC=C(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330702038 530047195 /nfs/dbraw/zinc/04/71/95/530047195.db2.gz ZIMKHPAAVQEMAE-UHFFFAOYSA-N 0 3 307.354 0.905 20 5 DCBDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000161462451 237095583 /nfs/dbraw/zinc/09/55/83/237095583.db2.gz KNVBKICGTLNKBG-GFCCVEGCSA-N 0 3 317.367 0.186 20 5 DCBDHN COc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000315552732 291253492 /nfs/dbraw/zinc/25/34/92/291253492.db2.gz LLBRGPJGNMJJGP-LBPRGKRZSA-N 0 3 307.310 0.346 20 5 DCBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567180239 291341888 /nfs/dbraw/zinc/34/18/88/291341888.db2.gz CZOVDIYMHZQWMI-NTZNESFSSA-N 0 3 304.350 0.900 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc3c(c2)COC3)c1 ZINC000567345481 291349757 /nfs/dbraw/zinc/34/97/57/291349757.db2.gz JQDRXFUASGQCPS-HNNXBMFYSA-N 0 3 318.333 0.972 20 5 DCBDHN CS[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1N(C)C ZINC000271215823 395847395 /nfs/dbraw/zinc/84/73/95/395847395.db2.gz ZFTLGDHLUCDPDV-VHSXEESVSA-N 0 3 313.383 0.295 20 5 DCBDHN CN1CC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000272551476 395899420 /nfs/dbraw/zinc/89/94/20/395899420.db2.gz CYYYEMGSFHZHHX-DGCLKSJQSA-N 0 3 320.349 0.309 20 5 DCBDHN CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](CN)C1 ZINC000124310221 395900454 /nfs/dbraw/zinc/90/04/54/395900454.db2.gz ZJZXDCQYCVHKCR-SNVBAGLBSA-N 0 3 312.757 0.963 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000053254411 395878946 /nfs/dbraw/zinc/87/89/46/395878946.db2.gz QRJHCGWLSYWRAZ-SECBINFHSA-N 0 3 315.351 0.634 20 5 DCBDHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000262037927 396092508 /nfs/dbraw/zinc/09/25/08/396092508.db2.gz BMZDKHCGSZJEJZ-ZDUSSCGKSA-N 0 3 308.338 0.311 20 5 DCBDHN CCc1n[nH]c(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000278112613 396106696 /nfs/dbraw/zinc/10/66/96/396106696.db2.gz XLPYEIXTXAUIHO-UHFFFAOYSA-N 0 3 324.385 0.200 20 5 DCBDHN CCc1[nH]nc(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000278112613 396106698 /nfs/dbraw/zinc/10/66/98/396106698.db2.gz XLPYEIXTXAUIHO-UHFFFAOYSA-N 0 3 324.385 0.200 20 5 DCBDHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000261885636 396075948 /nfs/dbraw/zinc/07/59/48/396075948.db2.gz NCSSRUUOSAZRFU-YGRLFVJLSA-N 0 3 322.365 0.872 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177046386 396165564 /nfs/dbraw/zinc/16/55/64/396165564.db2.gz BWKQGEHPHRUHEB-ONGXEEELSA-N 0 3 307.354 0.841 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(CCO)Cc2ccccc2)c1 ZINC000075713274 396185202 /nfs/dbraw/zinc/18/52/02/396185202.db2.gz DKSLJUAAQSFBLI-HNNXBMFYSA-N 0 3 320.349 0.647 20 5 DCBDHN CN(C)CCN(C)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000080685316 396284305 /nfs/dbraw/zinc/28/43/05/396284305.db2.gz KERQRIUUUUICAM-UHFFFAOYSA-N 0 3 302.356 0.240 20 5 DCBDHN CNC(=O)NC(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282385988 396286711 /nfs/dbraw/zinc/28/67/11/396286711.db2.gz GIQTXSZCVCBPFR-UHFFFAOYSA-N 0 3 308.338 0.915 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(O)CCN(C)CC1 ZINC000080879920 396287546 /nfs/dbraw/zinc/28/75/46/396287546.db2.gz ZHQOJVMFUSIJJG-UHFFFAOYSA-N 0 3 323.349 0.790 20 5 DCBDHN COCCN(CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283403688 396334935 /nfs/dbraw/zinc/33/49/35/396334935.db2.gz VGUSOLIONPDAMZ-UHFFFAOYSA-N 0 3 311.338 0.864 20 5 DCBDHN Cn1cc2c(n1)CCC[C@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515376338 396504320 /nfs/dbraw/zinc/50/43/20/396504320.db2.gz JITRVCRTLIRXKT-DGCLKSJQSA-N 0 3 320.353 0.553 20 5 DCBDHN O=C1C[C@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1 ZINC000595290067 396581307 /nfs/dbraw/zinc/58/13/07/396581307.db2.gz HDROICZISURNEC-LBPRGKRZSA-N 0 3 304.350 0.853 20 5 DCBDHN O=C(CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCNCC1 ZINC000581245804 396536686 /nfs/dbraw/zinc/53/66/86/396536686.db2.gz YNUYRRFNZVJEHQ-OAHLLOKOSA-N 0 3 318.377 0.994 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC[NH2+]CC2)nc1 ZINC000595113022 396550643 /nfs/dbraw/zinc/55/06/43/396550643.db2.gz JEWFYUSVBHCDJV-UHFFFAOYSA-N 0 3 314.367 0.658 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3cn[nH]n3)C2)nc1 ZINC000595374502 396597665 /nfs/dbraw/zinc/59/76/65/396597665.db2.gz CXMWXESMOPNESO-LLVKDONJSA-N 0 3 303.326 0.837 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3c[nH]nn3)C2)nc1 ZINC000595374502 396597667 /nfs/dbraw/zinc/59/76/67/396597667.db2.gz CXMWXESMOPNESO-LLVKDONJSA-N 0 3 303.326 0.837 20 5 DCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588862530 396695654 /nfs/dbraw/zinc/69/56/54/396695654.db2.gz DGFCYAILJCNCAJ-CABCVRRESA-N 0 3 319.361 0.805 20 5 DCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588860770 396695844 /nfs/dbraw/zinc/69/58/44/396695844.db2.gz LGNNASHSUNDVQG-CABCVRRESA-N 0 3 319.361 0.805 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563438384 396737134 /nfs/dbraw/zinc/73/71/34/396737134.db2.gz CZXPKKSARFZORE-STQMWFEESA-N 0 3 320.349 0.347 20 5 DCBDHN NC(=O)c1cc(N[C@@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000596234653 396741081 /nfs/dbraw/zinc/74/10/81/396741081.db2.gz WECOPTUEVATOSX-GFCCVEGCSA-N 0 3 322.365 0.952 20 5 DCBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N(CCO)CCO ZINC000600179169 396749612 /nfs/dbraw/zinc/74/96/12/396749612.db2.gz LNPUVWBKNFAZEQ-LLVKDONJSA-N 0 3 311.338 0.599 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572060118 397016584 /nfs/dbraw/zinc/01/65/84/397016584.db2.gz RBSPJFQFPNTZEN-DGCLKSJQSA-N 0 3 318.333 0.287 20 5 DCBDHN C[C@@H](C(=O)N[C@H](CO)CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597653485 397045026 /nfs/dbraw/zinc/04/50/26/397045026.db2.gz JPBSDNCBOYGKCU-ZJUUUORDSA-N 0 3 313.329 0.876 20 5 DCBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCNC2CC2)cc1 ZINC000592367114 397161622 /nfs/dbraw/zinc/16/16/22/397161622.db2.gz UPSMPMJYPPPIPH-UHFFFAOYSA-N 0 3 313.379 0.809 20 5 DCBDHN C[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1CN ZINC000592471050 397186023 /nfs/dbraw/zinc/18/60/23/397186023.db2.gz LDLNPHAOJBCPDD-GHMZBOCLSA-N 0 3 308.338 0.342 20 5 DCBDHN [NH3+]CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383563438 397278045 /nfs/dbraw/zinc/27/80/45/397278045.db2.gz UMEPNAGLGXBHKK-VIFPVBQESA-N 0 3 309.294 0.856 20 5 DCBDHN CN(C)CCSc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000598604456 397257902 /nfs/dbraw/zinc/25/79/02/397257902.db2.gz RTKCNBMOCDZMEW-UHFFFAOYSA-N 0 3 305.381 0.896 20 5 DCBDHN C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[NH2+]1 ZINC000599107101 397339269 /nfs/dbraw/zinc/33/92/69/397339269.db2.gz ZAVOXIUKIPYHGT-RKDXNWHRSA-N 0 3 300.340 0.409 20 5 DCBDHN Cc1ccc(CNCCCN2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000578205009 397406362 /nfs/dbraw/zinc/40/63/62/397406362.db2.gz FKHSVYWGYFEGCB-UHFFFAOYSA-N 0 3 306.366 0.815 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](CN2CCOCC2)C1 ZINC000602780106 397483089 /nfs/dbraw/zinc/48/30/89/397483089.db2.gz HGLXQDKFZORLDV-CQSZACIVSA-N 0 3 323.397 0.754 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(C)(C)CO)CC1 ZINC000602789941 397486116 /nfs/dbraw/zinc/48/61/16/397486116.db2.gz BJYFEERRRIOCFY-UHFFFAOYSA-N 0 3 311.386 0.488 20 5 DCBDHN COc1c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000594359044 397533390 /nfs/dbraw/zinc/53/33/90/397533390.db2.gz HJWJYFHQWSZHGM-RYUDHWBXSA-N 0 3 309.322 0.350 20 5 DCBDHN CCC(C)(C)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000594388742 397540113 /nfs/dbraw/zinc/54/01/13/397540113.db2.gz AXBPEULHAKRVGG-UHFFFAOYSA-N 0 3 310.358 0.519 20 5 DCBDHN COCCN1CCC(NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000330611648 159203016 /nfs/dbraw/zinc/20/30/16/159203016.db2.gz WCHIKRZUNRYKSG-UHFFFAOYSA-N 0 3 311.342 0.467 20 5 DCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000408148296 160047612 /nfs/dbraw/zinc/04/76/12/160047612.db2.gz AVENSPVGRDIPPT-ZDUSSCGKSA-N 0 3 319.365 0.733 20 5 DCBDHN CN1CCC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151300249 287032742 /nfs/dbraw/zinc/03/27/42/287032742.db2.gz XLEDQQPWHUEUQM-LLVKDONJSA-N 0 3 310.358 0.432 20 5 DCBDHN Cc1cc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)ccc1[N+](=O)[O-] ZINC000370731043 287224200 /nfs/dbraw/zinc/22/42/00/287224200.db2.gz SNIYYJQZILMNSP-UWVGGRQHSA-N 0 3 317.342 0.882 20 5 DCBDHN C[C@@H](CN(C)C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000286584486 415632988 /nfs/dbraw/zinc/63/29/88/415632988.db2.gz YORFQCXVJSSHPP-QMMMGPOBSA-N 0 3 302.356 0.604 20 5 DCBDHN CN(CCc1ccncc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000121569000 415807393 /nfs/dbraw/zinc/80/73/93/415807393.db2.gz PUFIGZRMEHYWRN-AWEZNQCLSA-N 0 3 305.338 0.722 20 5 DCBDHN CCN(C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297708814 415969711 /nfs/dbraw/zinc/96/97/11/415969711.db2.gz AUUFCRWNUAZSGY-UHFFFAOYSA-N 0 3 308.338 0.910 20 5 DCBDHN CN(C)CCO[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357539440 416093474 /nfs/dbraw/zinc/09/34/74/416093474.db2.gz RXGZWXGTNLDLOQ-SNVBAGLBSA-N 0 3 323.353 0.246 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](CN3CCOCC3)C2)n1 ZINC000176263372 416122621 /nfs/dbraw/zinc/12/26/21/416122621.db2.gz URCYLYHQKIJZAL-ZDUSSCGKSA-N 0 3 309.370 0.445 20 5 DCBDHN CCN1CCN([C@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000177026319 416139286 /nfs/dbraw/zinc/13/92/86/416139286.db2.gz BMUJUQBWSGXSDH-AWEZNQCLSA-N 0 3 322.413 0.503 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358045326 416177230 /nfs/dbraw/zinc/17/72/30/416177230.db2.gz JEBGLCQMUKZNBB-CQSZACIVSA-N 0 3 309.322 0.400 20 5 DCBDHN COCCNCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000179379428 416186194 /nfs/dbraw/zinc/18/61/94/416186194.db2.gz MYTUBQILMGTUOZ-UHFFFAOYSA-N 0 3 317.367 0.418 20 5 DCBDHN O=C(CNC[C@H]1CCCO1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237929851 416329224 /nfs/dbraw/zinc/32/92/24/416329224.db2.gz DLZARSPFDMBQNP-CQSZACIVSA-N 0 3 322.365 0.892 20 5 DCBDHN CN(C)[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1O ZINC000359965990 416367278 /nfs/dbraw/zinc/36/72/78/416367278.db2.gz ILDOJNMEIMUTJS-RYUDHWBXSA-N 0 3 303.322 0.649 20 5 DCBDHN CC(C)N1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000583151682 416459951 /nfs/dbraw/zinc/45/99/51/416459951.db2.gz ICDKBYDPTNUODC-UHFFFAOYSA-N 0 3 307.354 1.128 20 5 DCBDHN Cn1ccnc1[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068896 416536901 /nfs/dbraw/zinc/53/69/01/416536901.db2.gz PZSHCYJOAORYQQ-YPMHNXCESA-N 0 3 320.353 0.375 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CO)CCOCC1 ZINC000436264127 416551830 /nfs/dbraw/zinc/55/18/30/416551830.db2.gz VPPLCFQLLYMANI-UHFFFAOYSA-N 0 3 323.349 0.973 20 5 DCBDHN CN1C[C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000425061311 416681456 /nfs/dbraw/zinc/68/14/56/416681456.db2.gz YREYPVDBNTZATP-WCQYABFASA-N 0 3 320.349 0.309 20 5 DCBDHN CNc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000545156092 416664637 /nfs/dbraw/zinc/66/46/37/416664637.db2.gz GYXSAAANMHERJF-AWEZNQCLSA-N 0 3 308.338 0.433 20 5 DCBDHN CCN(C)C[C@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000515870283 416711357 /nfs/dbraw/zinc/71/13/57/416711357.db2.gz VGWNNGDOFMRQOQ-NSHDSACASA-N 0 3 322.325 0.262 20 5 DCBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCNCC1 ZINC000428464585 416898659 /nfs/dbraw/zinc/89/86/59/416898659.db2.gz XTIBJTNOHVLQFR-NSHDSACASA-N 0 3 324.385 0.649 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]1CNCCO1 ZINC000429979307 417008814 /nfs/dbraw/zinc/00/88/14/417008814.db2.gz YQFYCNRRCJXSBP-LBPRGKRZSA-N 0 3 309.322 0.598 20 5 DCBDHN CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000530880834 417594658 /nfs/dbraw/zinc/59/46/58/417594658.db2.gz LUCWRHWIKOBHLR-UHFFFAOYSA-N 0 3 324.381 0.866 20 5 DCBDHN CNc1nc(C(=O)NC[C@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000455995861 417621066 /nfs/dbraw/zinc/62/10/66/417621066.db2.gz NFDUSARQYAVESX-ZDUSSCGKSA-N 0 3 311.342 0.074 20 5 DCBDHN CC1CCN(C[C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532399876 417677739 /nfs/dbraw/zinc/67/77/39/417677739.db2.gz ANQRXPQVANAYFW-CYBMUJFWSA-N 0 3 322.365 0.812 20 5 DCBDHN CN(C)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000359516763 261752179 /nfs/dbraw/zinc/75/21/79/261752179.db2.gz MXJPIOODMFUBIA-VXGBXAGGSA-N 0 3 312.301 0.873 20 5 DCBDHN Cc1c(CNC(=O)NC[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000418081344 262269296 /nfs/dbraw/zinc/26/92/96/262269296.db2.gz NTDGVQBBJFQVAD-GFCCVEGCSA-N 0 3 308.338 0.691 20 5 DCBDHN Cc1cc(S(=O)(=O)NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000420471946 262375055 /nfs/dbraw/zinc/37/50/55/262375055.db2.gz BCWHYUKAUUFJQI-JTQLQIEISA-N 0 3 315.351 0.170 20 5 DCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356237715 271036743 /nfs/dbraw/zinc/03/67/43/271036743.db2.gz VCDBMFRGCXQZAP-AWEZNQCLSA-N 0 3 307.354 0.886 20 5 DCBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000520412534 272518292 /nfs/dbraw/zinc/51/82/92/272518292.db2.gz SDZFECSKCYUWOB-UHFFFAOYSA-N 0 3 310.354 0.774 20 5 DCBDHN CN(C)CCOCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000539750718 287893979 /nfs/dbraw/zinc/89/39/79/287893979.db2.gz ZDKLFOKVYJMAFM-UHFFFAOYSA-N 0 3 311.338 0.668 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000583154820 337247388 /nfs/dbraw/zinc/24/73/88/337247388.db2.gz IIPXXDNJZNXGPC-NXEZZACHSA-N 0 3 310.741 0.996 20 5 DCBDHN CS[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1N(C)C ZINC000332655674 534008472 /nfs/dbraw/zinc/00/84/72/534008472.db2.gz DVCGDJDIUQPDBB-NXEZZACHSA-N 0 3 313.383 0.446 20 5 DCBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)c1ccccc1 ZINC000266524042 523022467 /nfs/dbraw/zinc/02/24/67/523022467.db2.gz JVRVUVCOVYRQGU-HUUCEWRRSA-N 0 3 320.349 0.818 20 5 DCBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000190886838 524967482 /nfs/dbraw/zinc/96/74/82/524967482.db2.gz VLBLBKMWCPGFSO-FRRDWIJNSA-N 0 3 310.350 0.895 20 5 DCBDHN C[NH+](C)C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821579934 599282271 /nfs/dbraw/zinc/28/22/71/599282271.db2.gz SNFLYLVKWKIEJT-UHFFFAOYSA-N 0 3 306.330 0.922 20 5 DCBDHN C[NH+](C)C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821579934 599282273 /nfs/dbraw/zinc/28/22/73/599282273.db2.gz SNFLYLVKWKIEJT-UHFFFAOYSA-N 0 3 306.330 0.922 20 5 DCBDHN C[NH+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736764309 598601866 /nfs/dbraw/zinc/60/18/66/598601866.db2.gz OPMNXSAAPWHKAK-QMMMGPOBSA-N 0 3 304.314 0.310 20 5 DCBDHN C[NH+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736764309 598601867 /nfs/dbraw/zinc/60/18/67/598601867.db2.gz OPMNXSAAPWHKAK-QMMMGPOBSA-N 0 3 304.314 0.310 20 5 DCBDHN C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736764982 598602096 /nfs/dbraw/zinc/60/20/96/598602096.db2.gz SOBKFMZLCOTJBY-JTQLQIEISA-N 0 3 303.326 0.915 20 5 DCBDHN C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736764982 598602098 /nfs/dbraw/zinc/60/20/98/598602098.db2.gz SOBKFMZLCOTJBY-JTQLQIEISA-N 0 3 303.326 0.915 20 5 DCBDHN Cc1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001022064362 658822228 /nfs/dbraw/zinc/82/22/28/658822228.db2.gz DTGRVBSLBFZUQO-RBLKWDMZSA-N 0 3 310.379 0.854 20 5 DCBDHN CN1CCN(C)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000897093095 662390436 /nfs/dbraw/zinc/39/04/36/662390436.db2.gz AJIFLHSEFJUKBL-UHFFFAOYSA-N 0 3 321.381 0.377 20 5 DCBDHN CN(CCO)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000899734104 663187515 /nfs/dbraw/zinc/18/75/15/663187515.db2.gz VBFZCXBPASRCOH-UHFFFAOYSA-N 0 3 301.730 0.902 20 5 DCBDHN CCc1nocc1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002782616 666221014 /nfs/dbraw/zinc/22/10/14/666221014.db2.gz MLJIVZQXMSJEJH-TZMCWYRMSA-N 0 3 322.365 0.983 20 5 DCBDHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC[N+](=O)[O-])CC1 ZINC000930496245 669030330 /nfs/dbraw/zinc/03/03/30/669030330.db2.gz ARMSCTQFBHBUEJ-NSHDSACASA-N 0 3 307.416 0.645 20 5 DCBDHN CN1C[C@@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000785299488 669246735 /nfs/dbraw/zinc/24/67/35/669246735.db2.gz NGNKQMJKXVRRCP-DTORHVGOSA-N 0 3 317.392 0.838 20 5 DCBDHN CC(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[N+](=O)[O-] ZINC000813108076 670611487 /nfs/dbraw/zinc/61/14/87/670611487.db2.gz UWFQHUSYHNMJIW-VWYCJHECSA-N 0 3 312.322 0.760 20 5 DCBDHN CC(COC(=O)CN(C)S(=O)(=O)c1ccccc1)[N+](=O)[O-] ZINC000813115408 670613367 /nfs/dbraw/zinc/61/33/67/670613367.db2.gz RDWQRDMPIPQCDA-SNVBAGLBSA-N 0 3 316.335 0.516 20 5 DCBDHN O=C1[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1CCO ZINC000843103956 672061718 /nfs/dbraw/zinc/06/17/18/672061718.db2.gz FHPACVRZYGFWKK-ZIAGYGMSSA-N 0 3 323.349 0.201 20 5 DCBDHN CC(C)(C(=O)NC[C@]1(C)CNCCO1)n1cc([N+](=O)[O-])cn1 ZINC001576508320 1164368591 /nfs/dbraw/zinc/36/85/91/1164368591.db2.gz PYFAZQPEATVTAW-ZDUSSCGKSA-N 0 3 311.342 0.021 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2c(c1)CNC2 ZINC001580579057 1165643812 /nfs/dbraw/zinc/64/38/12/1165643812.db2.gz ULDBUEVMSPLRQC-UHFFFAOYSA-N 0 3 314.301 0.998 20 5 DCBDHN C[C@@H](CCO)[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589835577 1166694934 /nfs/dbraw/zinc/69/49/34/1166694934.db2.gz WZXFWXKNUSIVAV-VIFPVBQESA-N 0 3 306.326 0.978 20 5 DCBDHN C[C@@H](CCO)[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589835577 1166694936 /nfs/dbraw/zinc/69/49/36/1166694936.db2.gz WZXFWXKNUSIVAV-VIFPVBQESA-N 0 3 306.326 0.978 20 5 DCBDHN COc1cccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001597699660 1168011799 /nfs/dbraw/zinc/01/17/99/1168011799.db2.gz FNGPFWIXCOKCLN-SNVBAGLBSA-N 0 3 321.333 0.806 20 5 DCBDHN Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609405143 1170967781 /nfs/dbraw/zinc/96/77/81/1170967781.db2.gz XJXXSNINWYYTKI-AOOOYVTPSA-N 0 3 315.337 0.739 20 5 DCBDHN Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609405143 1170967783 /nfs/dbraw/zinc/96/77/83/1170967783.db2.gz XJXXSNINWYYTKI-AOOOYVTPSA-N 0 3 315.337 0.739 20 5 DCBDHN Nc1ncc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC001626733510 1171487718 /nfs/dbraw/zinc/48/77/18/1171487718.db2.gz GHPXCBWDXTUURV-LLVKDONJSA-N 0 3 305.338 0.882 20 5 DCBDHN O=C(CCN1CC[C@@H](O)[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654751544 1173810816 /nfs/dbraw/zinc/81/08/16/1173810816.db2.gz GYTXXNIGLPBRCI-BXUZGUMPSA-N 0 3 323.349 0.599 20 5 DCBDHN O=C1OCC[C@@]12CCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001655919705 1173829856 /nfs/dbraw/zinc/82/98/56/1173829856.db2.gz WRLBMNNCEGIZMS-CQSZACIVSA-N 0 3 307.306 0.396 20 5 DCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CN1CCO ZINC001659064044 1173929990 /nfs/dbraw/zinc/92/99/90/1173929990.db2.gz IQLCEGHDSKRNNZ-QWHCGFSZSA-N 0 3 324.381 0.143 20 5 DCBDHN COc1cc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)on1 ZINC001700131073 1178490067 /nfs/dbraw/zinc/49/00/67/1178490067.db2.gz QVGARJRZMBPRFG-GHMZBOCLSA-N 0 3 324.337 0.477 20 5 DCBDHN CCC(=O)NCC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001731898137 1185556057 /nfs/dbraw/zinc/55/60/57/1185556057.db2.gz JDAARNRMOAIGEQ-UHFFFAOYSA-N 0 3 322.365 0.669 20 5 DCBDHN Cc1nc(CC(=O)NCCNCc2csc([N+](=O)[O-])c2)n[nH]1 ZINC001126907690 750103662 /nfs/dbraw/zinc/10/36/62/750103662.db2.gz RMFGSDFGEKVFCF-UHFFFAOYSA-N 0 3 324.366 0.531 20 5 DCBDHN COc1ccc(C[C@H](C)N2C[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334050 762612470 /nfs/dbraw/zinc/61/24/70/762612470.db2.gz AGYGMRIWDFERSY-JVLSTEMRSA-N 0 3 310.350 0.819 20 5 DCBDHN CN(c1nccc2cc([N+](=O)[O-])ccc21)S(=O)(=O)CCN ZINC001156240390 760538054 /nfs/dbraw/zinc/53/80/54/760538054.db2.gz OGPUURMAIVWZMM-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC001120024982 766884602 /nfs/dbraw/zinc/88/46/02/766884602.db2.gz PUWRSNNJRLSWKC-NSHDSACASA-N 0 3 322.369 0.071 20 5 DCBDHN CC(C)N(C)CC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001093674100 768687559 /nfs/dbraw/zinc/68/75/59/768687559.db2.gz ONXQSVIPEWFEPY-UHFFFAOYSA-N 0 3 311.342 0.564 20 5 DCBDHN O=C(N[C@@H]1CCC[C@@H]1N1CCC(O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001175181121 769876739 /nfs/dbraw/zinc/87/67/39/769876739.db2.gz RWIGAGHPLNOQAE-NEPJUHHUSA-N 0 3 323.353 0.426 20 5 DCBDHN CSCCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154438496 770182275 /nfs/dbraw/zinc/18/22/75/770182275.db2.gz XCQKVGCITNDPKY-UHFFFAOYSA-N 0 3 315.399 0.677 20 5 DCBDHN Cn1cnc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)n1 ZINC001157494323 771620527 /nfs/dbraw/zinc/62/05/27/771620527.db2.gz ZQMHEOQXPWPMLT-UHFFFAOYSA-N 0 3 324.366 0.695 20 5 DCBDHN O=[N+]([O-])c1cc[n+]([O-])c(NCc2nnn3c2CNCCC3)c1F ZINC001162972631 772437281 /nfs/dbraw/zinc/43/72/81/772437281.db2.gz IXUQUPNYISQSEW-UHFFFAOYSA-N 0 3 323.288 0.064 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2ncc3c2CCNC3)n1 ZINC001165224018 772707162 /nfs/dbraw/zinc/70/71/62/772707162.db2.gz ZJAMGSCPYZVVFP-UHFFFAOYSA-N 0 3 303.278 0.608 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]1CO ZINC001198113159 773863250 /nfs/dbraw/zinc/86/32/50/773863250.db2.gz WCVDTIPMZVAIKU-NSHDSACASA-N 0 3 309.322 0.999 20 5 DCBDHN Cn1cc(CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cn1 ZINC001267325193 939425290 /nfs/dbraw/zinc/42/52/90/939425290.db2.gz FKJCAWLULSTSRF-CHWSQXEVSA-N 0 3 307.354 0.166 20 5 DCBDHN Cc1ncccc1CN(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482596404 941565672 /nfs/dbraw/zinc/56/56/72/941565672.db2.gz QCQMUXXDVSPBED-ZIAGYGMSSA-N 0 3 306.366 0.945 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncn1C ZINC001317541201 945033955 /nfs/dbraw/zinc/03/39/55/945033955.db2.gz UQUZAOMBJSOVMV-CHWSQXEVSA-N 0 3 309.370 0.414 20 5 DCBDHN CN(C)[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319474285 945597912 /nfs/dbraw/zinc/59/79/12/945597912.db2.gz NKDBQXVOHMAKCI-RYUDHWBXSA-N 0 3 322.365 0.746 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC001330583960 950524984 /nfs/dbraw/zinc/52/49/84/950524984.db2.gz YSDVUZXWRRKQAL-LLVKDONJSA-N 0 3 322.365 0.792 20 5 DCBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC001343673540 953362683 /nfs/dbraw/zinc/36/26/83/953362683.db2.gz PIMJVZKAYLHDAK-GFCCVEGCSA-N 0 3 311.313 0.771 20 5 DCBDHN COC[C@@H](O)CC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001308359639 960174157 /nfs/dbraw/zinc/17/41/57/960174157.db2.gz HLAHALFLNQFMQV-JTQLQIEISA-N 0 3 300.311 0.796 20 5 DCBDHN COC[C@@H](O)CCNCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001308359639 960174165 /nfs/dbraw/zinc/17/41/65/960174165.db2.gz HLAHALFLNQFMQV-JTQLQIEISA-N 0 3 300.311 0.796 20 5 DCBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001558157989 1012326741 /nfs/dbraw/zinc/32/67/41/1012326741.db2.gz LSPBXUVCIFEUIO-UONOGXRCSA-N 0 3 305.334 0.876 20 5 DCBDHN CN(CCn1cnnc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001460752148 1012963572 /nfs/dbraw/zinc/96/35/72/1012963572.db2.gz KTPLSDFJHMZANR-GFCCVEGCSA-N 0 3 321.337 0.558 20 5 DCBDHN COC[C@@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000174009591 198280396 /nfs/dbraw/zinc/28/03/96/198280396.db2.gz SUUWSVKGJBMRHC-SNVBAGLBSA-N 0 3 317.367 0.498 20 5 DCBDHN Cc1ccc(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000566491789 291307659 /nfs/dbraw/zinc/30/76/59/291307659.db2.gz ZCCCEACUDUYBIT-CHWSQXEVSA-N 0 3 304.350 0.647 20 5 DCBDHN Cc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc(C)n1 ZINC000567104493 291337222 /nfs/dbraw/zinc/33/72/22/291337222.db2.gz PYWNFMFZMSYNBC-AWEZNQCLSA-N 0 3 305.338 0.954 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cnc3n2CCCC3)c1 ZINC000567708010 291371595 /nfs/dbraw/zinc/37/15/95/291371595.db2.gz HITRWHIJBUCLTQ-CYBMUJFWSA-N 0 3 320.353 0.475 20 5 DCBDHN CN1CCN(CCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000105089321 194071890 /nfs/dbraw/zinc/07/18/90/194071890.db2.gz YPGFYGQVXLJTAT-UHFFFAOYSA-N 0 3 306.366 0.962 20 5 DCBDHN Cn1cc(CNCCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000194415157 395796486 /nfs/dbraw/zinc/79/64/86/395796486.db2.gz IJEZGEXODJZGFW-UHFFFAOYSA-N 0 3 318.333 0.325 20 5 DCBDHN CN1CCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000140023139 395955763 /nfs/dbraw/zinc/95/57/63/395955763.db2.gz MGGFMHZWEMEEJI-SECBINFHSA-N 0 3 314.367 0.748 20 5 DCBDHN C[C@H]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000151322972 395983880 /nfs/dbraw/zinc/98/38/80/395983880.db2.gz KHPYNHOYUWJOQD-QWRGUYRKSA-N 0 3 322.369 0.716 20 5 DCBDHN C[C@@H]1CN(CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCO1 ZINC000277714537 396083362 /nfs/dbraw/zinc/08/33/62/396083362.db2.gz WURHNWGZBQHUHH-SNVBAGLBSA-N 0 3 311.342 0.549 20 5 DCBDHN Cc1c([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000183306699 396266621 /nfs/dbraw/zinc/26/66/21/396266621.db2.gz NPHFMPNLVNOMOT-SKDRFNHKSA-N 0 3 308.342 0.545 20 5 DCBDHN COc1cc(C(=O)NCC2(O)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000267018168 396354351 /nfs/dbraw/zinc/35/43/51/396354351.db2.gz CHMNMOXMZJBZOX-UHFFFAOYSA-N 0 3 323.349 0.790 20 5 DCBDHN O=C1NC(=O)[C@]2(CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000192659000 396435150 /nfs/dbraw/zinc/43/51/50/396435150.db2.gz OCMAJCRNNBFOJD-OAHLLOKOSA-N 0 3 318.333 0.811 20 5 DCBDHN Cn1ncc(C2CC2)c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594732490 396502486 /nfs/dbraw/zinc/50/24/86/396502486.db2.gz LYKJJEQVTMZYNC-LBPRGKRZSA-N 0 3 320.353 0.553 20 5 DCBDHN N[C@@H]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000594738100 396503088 /nfs/dbraw/zinc/50/30/88/396503088.db2.gz HADMJSUURDLGDB-WCQYABFASA-N 0 3 324.768 0.992 20 5 DCBDHN Cn1ccnc1[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000530410535 396577290 /nfs/dbraw/zinc/57/72/90/396577290.db2.gz KDNHPKBAGGKVKV-GFCCVEGCSA-N 0 3 317.349 0.980 20 5 DCBDHN NC(=O)C1(NCCOc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000595727358 396651824 /nfs/dbraw/zinc/65/18/24/396651824.db2.gz BKGXOHLTRWZEJD-UHFFFAOYSA-N 0 3 309.322 0.598 20 5 DCBDHN N[C@H]1C[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000582431998 396610544 /nfs/dbraw/zinc/61/05/44/396610544.db2.gz YOGJJNBUTRTLJS-SCZZXKLOSA-N 0 3 310.741 0.996 20 5 DCBDHN NCc1cn([C@@H]2CCCN(c3ccc(N)c([N+](=O)[O-])n3)C2)nn1 ZINC000596014404 396707798 /nfs/dbraw/zinc/70/77/98/396707798.db2.gz PBVQLISUQLDJSE-SNVBAGLBSA-N 0 3 318.341 0.464 20 5 DCBDHN NC(=O)c1ccnc(N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000589573800 396718637 /nfs/dbraw/zinc/71/86/37/396718637.db2.gz KKGNXKWNOGWGOQ-SNVBAGLBSA-N 0 3 305.338 0.985 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(C3CCCC3)CC2)c1 ZINC000304352560 396730404 /nfs/dbraw/zinc/73/04/04/396730404.db2.gz RUDJBCQSHOKOSA-OAHLLOKOSA-N 0 3 323.397 0.712 20 5 DCBDHN Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000563433641 396734845 /nfs/dbraw/zinc/73/48/45/396734845.db2.gz PHZUMUBFBHIDPW-ONGXEEELSA-N 0 3 308.313 0.791 20 5 DCBDHN CC[C@H](CN1CCCC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000610970683 396796306 /nfs/dbraw/zinc/79/63/06/396796306.db2.gz YWPKGYMFKGINNQ-GFCCVEGCSA-N 0 3 322.365 0.747 20 5 DCBDHN CN(CCOC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610859707 396771719 /nfs/dbraw/zinc/77/17/19/396771719.db2.gz IZQCXPDTDKFLOX-LBPRGKRZSA-N 0 3 300.359 0.899 20 5 DCBDHN CCN1CC[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591765766 397000142 /nfs/dbraw/zinc/00/01/42/397000142.db2.gz GLZQLQONCAVYRW-TZMCWYRMSA-N 0 3 323.349 0.545 20 5 DCBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCNC1CC1 ZINC000592367085 397161194 /nfs/dbraw/zinc/16/11/94/397161194.db2.gz SJZMFYXJBOGPHU-UHFFFAOYSA-N 0 3 315.351 0.634 20 5 DCBDHN CO[C@@H]1COC[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000572957995 397116401 /nfs/dbraw/zinc/11/64/01/397116401.db2.gz ALWJVBKKLMKWJC-CHWSQXEVSA-N 0 3 309.322 0.927 20 5 DCBDHN COC(=O)c1ccnc(NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000598614046 397259415 /nfs/dbraw/zinc/25/94/15/397259415.db2.gz NELNBQCNKFIJMU-UHFFFAOYSA-N 0 3 312.326 0.767 20 5 DCBDHN COC(=O)c1ccnc(NC[C@@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000598614637 397259736 /nfs/dbraw/zinc/25/97/36/397259736.db2.gz MJBKWXHSJCOXAL-ZDUSSCGKSA-N 0 3 310.310 0.255 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000602828564 397496574 /nfs/dbraw/zinc/49/65/74/397496574.db2.gz HIBBBYLZSDDKJJ-GXTWGEPZSA-N 0 3 323.397 0.895 20 5 DCBDHN COCCN(C)C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593962652 397487025 /nfs/dbraw/zinc/48/70/25/397487025.db2.gz VRQCXPRMTLOFRV-MRXNPFEDSA-N 0 3 323.393 0.892 20 5 DCBDHN CN1CCC2(CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000371361881 397576082 /nfs/dbraw/zinc/57/60/82/397576082.db2.gz VNLIEBLYNYUZNB-UHFFFAOYSA-N 0 3 307.354 0.878 20 5 DCBDHN CNc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000579240892 397541636 /nfs/dbraw/zinc/54/16/36/397541636.db2.gz BLTYBOZNSGGXCW-STQMWFEESA-N 0 3 308.338 0.383 20 5 DCBDHN Nc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000320727505 159010365 /nfs/dbraw/zinc/01/03/65/159010365.db2.gz DQSZZFURJZPPAW-VXGBXAGGSA-N 0 3 320.349 0.770 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000268146259 415165793 /nfs/dbraw/zinc/16/57/93/415165793.db2.gz FDDQZUNDVIHAED-GXFFZTMASA-N 0 3 320.349 0.355 20 5 DCBDHN CN(CCN1CCCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000343493815 415615826 /nfs/dbraw/zinc/61/58/26/415615826.db2.gz PRHOAAMBMJYFLE-UHFFFAOYSA-N 0 3 308.338 0.311 20 5 DCBDHN COC(=O)CC[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000288864719 415697083 /nfs/dbraw/zinc/69/70/83/415697083.db2.gz XZAXOXOOLMEUKP-NSHDSACASA-N 0 3 309.322 0.534 20 5 DCBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000344643678 415964338 /nfs/dbraw/zinc/96/43/38/415964338.db2.gz NDFKODRRKJTQKK-JTQLQIEISA-N 0 3 310.358 0.423 20 5 DCBDHN Cc1nn(C)c(N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000301299413 416080507 /nfs/dbraw/zinc/08/05/07/416080507.db2.gz QJOPDRSDLVCZRI-ZDUSSCGKSA-N 0 3 322.413 0.853 20 5 DCBDHN COc1c(F)cc(S(=O)(=O)N(C)C2CNC2)cc1[N+](=O)[O-] ZINC000357480147 416086973 /nfs/dbraw/zinc/08/69/73/416086973.db2.gz XYVUNTFKFAPZPR-UHFFFAOYSA-N 0 3 319.314 0.335 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000358057975 416181278 /nfs/dbraw/zinc/18/12/78/416181278.db2.gz PSERQXXGSZXVSV-CQSZACIVSA-N 0 3 323.305 0.120 20 5 DCBDHN COCCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000179380481 416186559 /nfs/dbraw/zinc/18/65/59/416186559.db2.gz JPBVHURDASAWQE-UHFFFAOYSA-N 0 3 303.340 0.109 20 5 DCBDHN CN(C)[C@@]1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCSC1 ZINC000347869846 416226495 /nfs/dbraw/zinc/22/64/95/416226495.db2.gz SBJYHVYVRQXFMV-CYBMUJFWSA-N 0 3 322.394 1.487 20 5 DCBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362069945 416553074 /nfs/dbraw/zinc/55/30/74/416553074.db2.gz VLBLBKMWCPGFSO-UPJWGTAASA-N 0 3 310.350 0.895 20 5 DCBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440837098 416650653 /nfs/dbraw/zinc/65/06/53/416650653.db2.gz YDZIQHWWXKZAAL-LJGSYFOKSA-N 0 3 319.314 0.511 20 5 DCBDHN CC[C@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000514932392 416684492 /nfs/dbraw/zinc/68/44/92/416684492.db2.gz UGEIRRAOBJUOAW-NSHDSACASA-N 0 3 317.367 0.234 20 5 DCBDHN Nc1nccc(C(=O)N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000548387059 416688458 /nfs/dbraw/zinc/68/84/58/416688458.db2.gz QHALKBWFLJZLRC-JTQLQIEISA-N 0 3 305.338 0.882 20 5 DCBDHN CN(C)C1(CN(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])CCC1 ZINC000553558690 416704353 /nfs/dbraw/zinc/70/43/53/416704353.db2.gz OISJSXHOQRDBPS-UHFFFAOYSA-N 0 3 307.354 1.128 20 5 DCBDHN COCCN(C)C[C@H](O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000518563093 416864261 /nfs/dbraw/zinc/86/42/61/416864261.db2.gz UZRFBNBQVUZPAG-LBPRGKRZSA-N 0 3 314.338 0.405 20 5 DCBDHN Cc1nc(NC[C@H](O)CN2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000450329875 417218228 /nfs/dbraw/zinc/21/82/28/417218228.db2.gz SBQWEQLDFNVEIU-LBPRGKRZSA-N 0 3 309.370 1.198 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CNCCN1C ZINC000414966581 417315925 /nfs/dbraw/zinc/31/59/25/417315925.db2.gz OOKQFUCMGKUOCG-CQSZACIVSA-N 0 3 308.382 0.987 20 5 DCBDHN N[C@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000576122842 417582663 /nfs/dbraw/zinc/58/26/63/417582663.db2.gz QBAVWHDKHQXVHK-WPRPVWTQSA-N 0 3 311.729 0.391 20 5 DCBDHN CNc1nc(C(=O)N2CCO[C@@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000455714336 417613129 /nfs/dbraw/zinc/61/31/29/417613129.db2.gz DISMHQAAZZDBMA-JTQLQIEISA-N 0 3 323.353 0.434 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578950037 417688151 /nfs/dbraw/zinc/68/81/51/417688151.db2.gz PPQQGCBFIGTJPB-LDYMZIIASA-N 0 3 305.338 0.785 20 5 DCBDHN CC(C)[C@H](CO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000362194491 262007236 /nfs/dbraw/zinc/00/72/36/262007236.db2.gz HGOXLFSREISDOE-ZDUSSCGKSA-N 0 3 316.379 0.975 20 5 DCBDHN O=C(CCN(CCO)CCCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411250087 262168381 /nfs/dbraw/zinc/16/83/81/262168381.db2.gz DZOGQHAVZKZWPI-UHFFFAOYSA-N 0 3 311.338 0.600 20 5 DCBDHN C[C@H](NC(=O)NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000418240417 262273225 /nfs/dbraw/zinc/27/32/25/262273225.db2.gz ZJONRIPTRVOVBC-GXFFZTMASA-N 0 3 308.338 0.943 20 5 DCBDHN C[C@H](CO)N1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420612859 262378494 /nfs/dbraw/zinc/37/84/94/262378494.db2.gz PYXFKINMPVMXIK-LLVKDONJSA-N 0 3 322.365 0.587 20 5 DCBDHN C[C@@H]1CN(C2CCOCC2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000488709772 272048285 /nfs/dbraw/zinc/04/82/85/272048285.db2.gz CNWDFSDEOYZQOU-CYBMUJFWSA-N 0 3 323.397 0.976 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000493095071 272168458 /nfs/dbraw/zinc/16/84/58/272168458.db2.gz SLKZWIRYRGXHFR-HHAVJRIZSA-N 0 3 323.324 0.880 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CC[S@](=O)C1 ZINC000521863242 272540421 /nfs/dbraw/zinc/54/04/21/272540421.db2.gz VHDLRKIADWFPHQ-FLCAKIMKSA-N 0 3 314.363 0.445 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555290532 288347986 /nfs/dbraw/zinc/34/79/86/288347986.db2.gz MBAXXZWHVZLUIS-JTQLQIEISA-N 0 3 310.358 0.074 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000565239889 288837197 /nfs/dbraw/zinc/83/71/97/288837197.db2.gz NMWBLBPILRZDFH-VXGBXAGGSA-N 0 3 324.768 0.992 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CC[S@](=O)C2)c1 ZINC000570675362 332798195 /nfs/dbraw/zinc/79/81/95/332798195.db2.gz IEJWNVKQXJDUNX-VPOQAHPWSA-N 0 3 314.363 0.445 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCn1cncn1 ZINC000582236260 336383778 /nfs/dbraw/zinc/38/37/78/336383778.db2.gz KLYKRCJUCWTVKH-NSHDSACASA-N 0 3 307.310 0.216 20 5 DCBDHN O=C(NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000582803828 337177422 /nfs/dbraw/zinc/17/74/22/337177422.db2.gz PXBADDMXIJOLJF-ZDUSSCGKSA-N 0 3 323.349 0.450 20 5 DCBDHN Cc1cc(C)c(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000397077172 337247647 /nfs/dbraw/zinc/24/76/47/337247647.db2.gz DHEUDWOOXQVYSX-AWEZNQCLSA-N 0 3 305.338 0.954 20 5 DCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330859333 533897973 /nfs/dbraw/zinc/89/79/73/533897973.db2.gz RFUARFQSYNWHST-CABZTGNLSA-N 0 3 307.354 0.984 20 5 DCBDHN CC[N@@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821240276 606731103 /nfs/dbraw/zinc/73/11/03/606731103.db2.gz FYOUBBLLEFINDW-GZMMTYOYSA-N 0 3 318.341 0.922 20 5 DCBDHN CC[N@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821240276 606731104 /nfs/dbraw/zinc/73/11/04/606731104.db2.gz FYOUBBLLEFINDW-GZMMTYOYSA-N 0 3 318.341 0.922 20 5 DCBDHN CC[N@@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821240276 606731107 /nfs/dbraw/zinc/73/11/07/606731107.db2.gz FYOUBBLLEFINDW-GZMMTYOYSA-N 0 3 318.341 0.922 20 5 DCBDHN CC[N@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821240276 606731108 /nfs/dbraw/zinc/73/11/08/606731108.db2.gz FYOUBBLLEFINDW-GZMMTYOYSA-N 0 3 318.341 0.922 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935982562 659379560 /nfs/dbraw/zinc/37/95/60/659379560.db2.gz ZFVTYLFNLXNTST-GFCCVEGCSA-N 0 3 313.329 0.705 20 5 DCBDHN CC(C)(C)OC(=O)N1CCN(CCNCC[N+](=O)[O-])CC1 ZINC000905055960 663529080 /nfs/dbraw/zinc/52/90/80/663529080.db2.gz UQSZVDHHXVHYKS-UHFFFAOYSA-N 0 3 302.375 0.405 20 5 DCBDHN Cc1cc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001002783322 666221135 /nfs/dbraw/zinc/22/11/35/666221135.db2.gz QQMSPDYRVWMYQN-CHWSQXEVSA-N 0 3 308.338 0.729 20 5 DCBDHN Cc1nccnc1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002788230 666222078 /nfs/dbraw/zinc/22/20/78/666222078.db2.gz OTZHJPQFHHECBG-TZMCWYRMSA-N 0 3 319.365 0.531 20 5 DCBDHN O=C1COC[C@]2(CNCc3ccc([N+](=O)[O-])cc3)COCCN12 ZINC000865800561 667348958 /nfs/dbraw/zinc/34/89/58/667348958.db2.gz KGTLGLNFRPIRBS-HNNXBMFYSA-N 0 3 321.333 0.312 20 5 DCBDHN CCC(CC)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOCC1 ZINC000839484588 667749047 /nfs/dbraw/zinc/74/90/47/667749047.db2.gz GKGAZJSDCNMCKW-MGPQQGTHSA-N 0 3 313.398 0.905 20 5 DCBDHN CN1CCN(c2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cn2)CC1 ZINC000839484152 667749088 /nfs/dbraw/zinc/74/90/88/667749088.db2.gz KPAXLOMFRSKGQO-CHWSQXEVSA-N 0 3 319.365 0.115 20 5 DCBDHN O=C(CN[C@H](CO)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000771803320 668752484 /nfs/dbraw/zinc/75/24/84/668752484.db2.gz BOPMUXPUANDVPP-CYBMUJFWSA-N 0 3 305.334 0.844 20 5 DCBDHN CN1CCC(CCO)(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000779444606 668911170 /nfs/dbraw/zinc/91/11/70/668911170.db2.gz RKHSOHLDULPKIC-UHFFFAOYSA-N 0 3 322.365 0.754 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000934572508 669616422 /nfs/dbraw/zinc/61/64/22/669616422.db2.gz AXSHXDZDADUSHS-CABZTGNLSA-N 0 3 307.354 0.699 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000716729201 670271032 /nfs/dbraw/zinc/27/10/32/670271032.db2.gz CMPPNCHFGWILPZ-MRVPVSSYSA-N 0 3 301.730 0.901 20 5 DCBDHN CC(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813102871 670611065 /nfs/dbraw/zinc/61/10/65/670611065.db2.gz KTHRZQSDGDPEDB-MRVPVSSYSA-N 0 3 311.250 0.533 20 5 DCBDHN CC(COC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)[N+](=O)[O-] ZINC000813109009 670611511 /nfs/dbraw/zinc/61/15/11/670611511.db2.gz NLNLWWCDTCKGAO-IUCAKERBSA-N 0 3 313.310 0.448 20 5 DCBDHN Cc1ccc2c(c1)C(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C2=O ZINC000813107446 670611852 /nfs/dbraw/zinc/61/18/52/670611852.db2.gz NPGAOBYTMZSLGU-SECBINFHSA-N 0 3 306.274 0.799 20 5 DCBDHN O=C1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1 ZINC000851715433 671019750 /nfs/dbraw/zinc/01/97/50/671019750.db2.gz URYGBHWMMROYCW-GFCCVEGCSA-N 0 3 304.350 0.853 20 5 DCBDHN CO[C@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000819066752 671091971 /nfs/dbraw/zinc/09/19/71/671091971.db2.gz DICIKLCMLLUREC-DTWKUNHWSA-N 0 3 312.248 0.319 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000824894677 671443171 /nfs/dbraw/zinc/44/31/71/671443171.db2.gz KUMROOJCXPXPON-AWEZNQCLSA-N 0 3 307.354 0.700 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H](O)C(F)(F)F)c1 ZINC000843062624 672057853 /nfs/dbraw/zinc/05/78/53/672057853.db2.gz LGKUYLYFXWHDEJ-KOLCDFICSA-N 0 3 324.255 0.847 20 5 DCBDHN CN(C)CCN1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1=O ZINC000845629112 672267658 /nfs/dbraw/zinc/26/76/58/672267658.db2.gz HUFPGCHKNVSACF-UHFFFAOYSA-N 0 3 307.354 0.387 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566330760 1159972589 /nfs/dbraw/zinc/97/25/89/1159972589.db2.gz OFUWHKYETCKTRH-GZMMTYOYSA-N 0 3 305.338 0.785 20 5 DCBDHN Cn1ccc(CN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)n1 ZINC001566587412 1160082607 /nfs/dbraw/zinc/08/26/07/1160082607.db2.gz FCCZZYGGRVBHJC-ZIAGYGMSSA-N 0 3 321.381 0.556 20 5 DCBDHN CN(CCNC(=O)c1cn[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567290863 1160297893 /nfs/dbraw/zinc/29/78/93/1160297893.db2.gz PHPYDLNKPNBSKS-UHFFFAOYSA-N 0 3 304.310 0.575 20 5 DCBDHN C[C@@]1(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CNCCO1 ZINC001576507729 1164368528 /nfs/dbraw/zinc/36/85/28/1164368528.db2.gz FDKANYBDJFZRMZ-JSGCOSHPSA-N 0 3 309.322 0.123 20 5 DCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC001578523542 1165040269 /nfs/dbraw/zinc/04/02/69/1165040269.db2.gz MNAINYPOYLVXQC-HZUKXOBISA-N 0 3 318.377 0.931 20 5 DCBDHN C[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC(C)(C)O ZINC001604794776 1169685391 /nfs/dbraw/zinc/68/53/91/1169685391.db2.gz HOTYYZCMXBVGIZ-UHFFFAOYSA-N 0 3 306.326 0.978 20 5 DCBDHN C[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC(C)(C)O ZINC001604794776 1169685395 /nfs/dbraw/zinc/68/53/95/1169685395.db2.gz HOTYYZCMXBVGIZ-UHFFFAOYSA-N 0 3 306.326 0.978 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001607079143 1170381950 /nfs/dbraw/zinc/38/19/50/1170381950.db2.gz KETUEEYANRFQDT-AOOOYVTPSA-N 0 3 301.310 0.431 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001607079143 1170381955 /nfs/dbraw/zinc/38/19/55/1170381955.db2.gz KETUEEYANRFQDT-AOOOYVTPSA-N 0 3 301.310 0.431 20 5 DCBDHN CN(CCO)CCN(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001647836404 1173057413 /nfs/dbraw/zinc/05/74/13/1173057413.db2.gz KPSBIMBXIMMEIJ-ZDUSSCGKSA-N 0 3 311.338 0.011 20 5 DCBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@H](CO)[C@@H](CCO)C1 ZINC001655898380 1173829827 /nfs/dbraw/zinc/82/98/27/1173829827.db2.gz IJFZZGWFFJOKFI-QWHCGFSZSA-N 0 3 310.350 0.896 20 5 DCBDHN O=C(NC[C@H]1C[C@H](NCc2ncccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363205 760101025 /nfs/dbraw/zinc/10/10/25/760101025.db2.gz HOLFFBLCGSMWAN-DDHJBXDOSA-N 0 3 305.338 0.126 20 5 DCBDHN COC(=O)CNC(=O)[C@@H]1CCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046275 760561728 /nfs/dbraw/zinc/56/17/28/760561728.db2.gz KFIWAKAPYSHGTL-UTUOFQBUSA-N 0 3 313.354 0.185 20 5 DCBDHN O=C(CCn1cncn1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123659089 768041180 /nfs/dbraw/zinc/04/11/80/768041180.db2.gz DKWJQWHYQMLLNR-UHFFFAOYSA-N 0 3 318.337 0.482 20 5 DCBDHN NC(=O)CCCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001147118778 767646236 /nfs/dbraw/zinc/64/62/36/767646236.db2.gz AXOWJRYJGFCNTP-UHFFFAOYSA-N 0 3 322.365 0.846 20 5 DCBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001122062326 767708671 /nfs/dbraw/zinc/70/86/71/767708671.db2.gz BTSMOGLFHYBBJK-JTQLQIEISA-N 0 3 320.349 0.522 20 5 DCBDHN CCCN1CC(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001093535940 768610243 /nfs/dbraw/zinc/61/02/43/768610243.db2.gz CVGSOHRQPLLIIE-ZIAGYGMSSA-N 0 3 311.382 0.753 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)C[C@@H](O)CO)c1F ZINC001173186281 769556370 /nfs/dbraw/zinc/55/63/70/769556370.db2.gz PKWQHLSGVFTHAQ-NXEZZACHSA-N 0 3 316.329 0.959 20 5 DCBDHN O=C1OC[C@@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC001175113056 769860773 /nfs/dbraw/zinc/86/07/73/769860773.db2.gz XJCXBTDAHHNFIK-SRVKXCTJSA-N 0 3 322.317 0.439 20 5 DCBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001176902014 770242414 /nfs/dbraw/zinc/24/24/14/770242414.db2.gz FCKFFAYEWFCEKC-QWRGUYRKSA-N 0 3 305.338 0.881 20 5 DCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2ccc([C@@H](C)N)n2)n1 ZINC001158356872 771763994 /nfs/dbraw/zinc/76/39/94/771763994.db2.gz VVBSPNWKUMZIKX-ZCFIWIBFSA-N 0 3 305.298 0.857 20 5 DCBDHN O=C(NCC1(NCc2ccccc2[N+](=O)[O-])CC1)c1nnc[nH]1 ZINC001323580750 947133616 /nfs/dbraw/zinc/13/36/16/947133616.db2.gz WPUVJXLKNJAFRV-UHFFFAOYSA-N 0 3 316.321 0.765 20 5 DCBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC001302246742 960016879 /nfs/dbraw/zinc/01/68/79/960016879.db2.gz BZVYCGQBFGLXAX-VIFPVBQESA-N 0 3 323.353 0.147 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001304083890 960077295 /nfs/dbraw/zinc/07/72/95/960077295.db2.gz LAWUSSKHLGWHCM-NSHDSACASA-N 0 3 323.353 0.079 20 5 DCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCN2CCCO)n1 ZINC001468318132 1016243990 /nfs/dbraw/zinc/24/39/90/1016243990.db2.gz YPIFPXYGGKTKEX-GFCCVEGCSA-N 0 3 322.365 0.875 20 5 DCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H](CCO)[C@H](CO)C2)c1 ZINC001473892988 1016986150 /nfs/dbraw/zinc/98/61/50/1016986150.db2.gz MSVTYSVNFNKHDC-KCQAQPDRSA-N 0 3 310.350 0.551 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001442676084 1009610120 /nfs/dbraw/zinc/61/01/20/1009610120.db2.gz ZLDBBDDJHUIOBD-VXGBXAGGSA-N 0 3 323.353 0.079 20 5 DCBDHN CNc1nccc(C(=O)N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001456305271 1010180911 /nfs/dbraw/zinc/18/09/11/1010180911.db2.gz RJDKYNYRLRYMEG-VIFPVBQESA-N 0 3 321.337 0.234 20 5 DCBDHN O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)C[C@H]1CNCCO1 ZINC001574440765 1163725983 /nfs/dbraw/zinc/72/59/83/1163725983.db2.gz IICMAXJINJMAPE-MRVPVSSYSA-N 0 3 320.298 0.431 20 5 DCBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001443497950 1010452116 /nfs/dbraw/zinc/45/21/16/1010452116.db2.gz QLFPNLARCRPKEJ-UHFFFAOYSA-N 0 3 321.381 0.666 20 5 DCBDHN Cn1cc(CCN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nn1 ZINC001560066354 1012442291 /nfs/dbraw/zinc/44/22/91/1012442291.db2.gz RMSLTVXNYVBVMZ-AWEZNQCLSA-N 0 3 305.338 0.763 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)C3(O)CCC3)C2)nc1 ZINC001459701283 1012817045 /nfs/dbraw/zinc/81/70/45/1012817045.db2.gz SRMTZGMPASOMDQ-DGCLKSJQSA-N 0 3 322.365 0.752 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001635993471 1171721707 /nfs/dbraw/zinc/72/17/07/1171721707.db2.gz OWUMUCVXYWACSK-MRVPVSSYSA-N 0 3 316.745 0.483 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OCC(N)=O)CC1 ZINC001644759698 1172019798 /nfs/dbraw/zinc/01/97/98/1172019798.db2.gz XQCNHHWQQVMJCX-UHFFFAOYSA-N 0 3 311.342 0.066 20 5 DCBDHN COC(=O)[C@]1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000282730143 217207260 /nfs/dbraw/zinc/20/72/60/217207260.db2.gz MOFCLFYOWDUXNN-IAQYHMDHSA-N 0 3 323.349 0.888 20 5 DCBDHN CN(C)CCN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266058179 205064664 /nfs/dbraw/zinc/06/46/64/205064664.db2.gz UGAXXONCCWEZOG-UHFFFAOYSA-N 0 3 320.393 0.843 20 5 DCBDHN CCCN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000104531445 194014655 /nfs/dbraw/zinc/01/46/55/194014655.db2.gz ZNLXMPPEBZJVDA-UHFFFAOYSA-N 0 3 310.354 0.557 20 5 DCBDHN CCN1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000110994327 194379093 /nfs/dbraw/zinc/37/90/93/194379093.db2.gz RZEFPHSDCDADCI-LBPRGKRZSA-N 0 3 322.365 0.747 20 5 DCBDHN CCNC(=O)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000339325073 253062980 /nfs/dbraw/zinc/06/29/80/253062980.db2.gz DZPOHBPXGAVLHX-CYBMUJFWSA-N 0 3 310.354 0.507 20 5 DCBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346154014 254016338 /nfs/dbraw/zinc/01/63/38/254016338.db2.gz ILBAIENOAIZIOQ-AVGNSLFASA-N 0 3 321.381 0.980 20 5 DCBDHN O=C(CCOC1CNC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000349029047 254270708 /nfs/dbraw/zinc/27/07/08/254270708.db2.gz PJZNXJGEINRWFZ-UHFFFAOYSA-N 0 3 308.338 0.501 20 5 DCBDHN C[C@@H](O)CN(CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289361017 131377803 /nfs/dbraw/zinc/37/78/03/131377803.db2.gz AHCWOJIOIVIEDD-NEPJUHHUSA-N 0 3 314.338 0.010 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000037714714 395728360 /nfs/dbraw/zinc/72/83/60/395728360.db2.gz WBYJKCHOGHLDQP-UHFFFAOYSA-N 0 3 303.340 0.621 20 5 DCBDHN CNCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237199715 395906005 /nfs/dbraw/zinc/90/60/05/395906005.db2.gz NBLNXOHHUIDGEF-UHFFFAOYSA-N 0 3 312.351 0.160 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)[C@@H](O)C1 ZINC000278652659 396137282 /nfs/dbraw/zinc/13/72/82/396137282.db2.gz HKWWZCXPDXUJEW-STQMWFEESA-N 0 3 309.322 0.269 20 5 DCBDHN CN(C)CCN1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000074165193 396159311 /nfs/dbraw/zinc/15/93/11/396159311.db2.gz KVKXPAOICLUWJB-NSHDSACASA-N 0 3 320.349 0.943 20 5 DCBDHN COC(=O)C[C@@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179152915 396223437 /nfs/dbraw/zinc/22/34/37/396223437.db2.gz FCLGNOYTVILFRD-JQWIXIFHSA-N 0 3 312.326 0.180 20 5 DCBDHN CN1CCC(O)(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000267043529 396354237 /nfs/dbraw/zinc/35/42/37/396354237.db2.gz FUSCYHZAVQPNPU-UHFFFAOYSA-N 0 3 311.313 0.920 20 5 DCBDHN Cc1c(NC(=O)CCN2C[C@@H](O)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000186507280 396351208 /nfs/dbraw/zinc/35/12/08/396351208.db2.gz CXIZTZPXYIWEPS-RYUDHWBXSA-N 0 3 323.349 0.659 20 5 DCBDHN O=C1C[C@@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CN1 ZINC000595289973 396581452 /nfs/dbraw/zinc/58/14/52/396581452.db2.gz ILMDJZCEEHDZKS-GFCCVEGCSA-N 0 3 304.350 0.853 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CC[NH2+]C2)nc1 ZINC000595101221 396548645 /nfs/dbraw/zinc/54/86/45/396548645.db2.gz ADXLYRAAWVVOER-SECBINFHSA-N 0 3 300.340 0.268 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H]1COCCO1 ZINC000562988997 396691251 /nfs/dbraw/zinc/69/12/51/396691251.db2.gz VGYCNXHRTMDZAY-VXGBXAGGSA-N 0 3 312.322 0.340 20 5 DCBDHN COc1cccc([N+](=O)[O-])c1N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000596014016 396708251 /nfs/dbraw/zinc/70/82/51/396708251.db2.gz KKCXYWBQFAVCGJ-VHSXEESVSA-N 0 3 306.322 0.352 20 5 DCBDHN Cc1noc(CSc2nnnn2CCN(C)C)c1[N+](=O)[O-] ZINC000596018773 396708892 /nfs/dbraw/zinc/70/88/92/396708892.db2.gz CLPDDOMEXADROO-UHFFFAOYSA-N 0 3 313.343 0.732 20 5 DCBDHN CN1CCN(C(=O)CNCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000314706447 396784678 /nfs/dbraw/zinc/78/46/78/396784678.db2.gz AXXYFJJWVSMHAT-UHFFFAOYSA-N 0 3 306.366 0.501 20 5 DCBDHN COc1cc(C(=O)N[C@H](CO)CN(C)C)cc([N+](=O)[O-])c1C ZINC000590369822 396762711 /nfs/dbraw/zinc/76/27/11/396762711.db2.gz OCRZRENANCHIGE-NSHDSACASA-N 0 3 311.338 0.564 20 5 DCBDHN CSc1ccc(C(=O)N[C@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000590370271 396763764 /nfs/dbraw/zinc/76/37/64/396763764.db2.gz XMGFOAXPQJSXPM-JTQLQIEISA-N 0 3 313.379 0.969 20 5 DCBDHN COc1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000316823217 396798044 /nfs/dbraw/zinc/79/80/44/396798044.db2.gz YKEAVUFOAZFRNB-LLVKDONJSA-N 0 3 308.338 0.318 20 5 DCBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000564205023 396814857 /nfs/dbraw/zinc/81/48/57/396814857.db2.gz UKEQROCUYBNKQW-ZJUUUORDSA-N 0 3 317.367 0.232 20 5 DCBDHN COCCN(C)C[C@H](O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000571416812 396950058 /nfs/dbraw/zinc/95/00/58/396950058.db2.gz IFIPJRQOYWCIJT-NSHDSACASA-N 0 3 314.338 0.921 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000597653499 397045117 /nfs/dbraw/zinc/04/51/17/397045117.db2.gz KCDLTDJTCBDXGF-GFCCVEGCSA-N 0 3 309.366 0.911 20 5 DCBDHN O=C(CCN1C[C@@H](CO)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000599530360 397464561 /nfs/dbraw/zinc/46/45/61/397464561.db2.gz VHXDUSJDIYMCQA-RYUDHWBXSA-N 0 3 323.349 0.456 20 5 DCBDHN O=[N+]([O-])c1ccc(OCCCN2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC000599531239 397466400 /nfs/dbraw/zinc/46/64/00/397466400.db2.gz OABJZZHEDZLQNW-STQMWFEESA-N 0 3 310.350 0.896 20 5 DCBDHN CC(=O)NC[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602768585 397481195 /nfs/dbraw/zinc/48/11/95/397481195.db2.gz KBKKEHXIGFBDAQ-ZDUSSCGKSA-N 0 3 309.370 0.948 20 5 DCBDHN CNC(=O)CC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602778461 397482180 /nfs/dbraw/zinc/48/21/80/397482180.db2.gz BRGNTJWUZXCNPG-UHFFFAOYSA-N 0 3 309.370 0.948 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](CN2CCOCC2)C1 ZINC000602780099 397483170 /nfs/dbraw/zinc/48/31/70/397483170.db2.gz HGLXQDKFZORLDV-AWEZNQCLSA-N 0 3 323.397 0.754 20 5 DCBDHN CC(=O)N1CC[C@H](CN(C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602794145 397488060 /nfs/dbraw/zinc/48/80/60/397488060.db2.gz GMUCXZMRGHTJNM-CYBMUJFWSA-N 0 3 309.370 0.900 20 5 DCBDHN CO[C@H](CNC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496002144 397567873 /nfs/dbraw/zinc/56/78/73/397567873.db2.gz NQFYNQBFPPRGLO-RKDXNWHRSA-N 0 3 306.315 0.735 20 5 DCBDHN CN(C)[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000579192518 397532258 /nfs/dbraw/zinc/53/22/58/397532258.db2.gz NZUADVJRBRDUTF-KBPBESRZSA-N 0 3 322.365 0.530 20 5 DCBDHN Cc1nn(C)cc1[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579746022 397592119 /nfs/dbraw/zinc/59/21/19/397592119.db2.gz JGSLWZLOTLOHIK-CABZTGNLSA-N 0 3 308.342 0.545 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000312644030 286351475 /nfs/dbraw/zinc/35/14/75/286351475.db2.gz DNIZXZJWUDCMGA-QMMMGPOBSA-N 0 3 303.340 0.619 20 5 DCBDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000118101841 158176282 /nfs/dbraw/zinc/17/62/82/158176282.db2.gz HWELURIXNOLSKF-ZDUSSCGKSA-N 0 3 320.349 0.990 20 5 DCBDHN Nc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000320727502 159011076 /nfs/dbraw/zinc/01/10/76/159011076.db2.gz DQSZZFURJZPPAW-NWDGAFQWSA-N 0 3 320.349 0.770 20 5 DCBDHN CN(C)C1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000330530150 159186916 /nfs/dbraw/zinc/18/69/16/159186916.db2.gz ZVWYMUOLCBADBQ-UHFFFAOYSA-N 0 3 322.365 0.747 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2cc[nH]c2)cc1 ZINC000086252005 286930891 /nfs/dbraw/zinc/93/08/91/286930891.db2.gz WWWDNZCPHZMTQC-UHFFFAOYSA-N 0 3 324.362 0.991 20 5 DCBDHN CN1CCC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151300349 287032792 /nfs/dbraw/zinc/03/27/92/287032792.db2.gz XLEDQQPWHUEUQM-NSHDSACASA-N 0 3 310.358 0.432 20 5 DCBDHN C[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCN1 ZINC000420342361 287292601 /nfs/dbraw/zinc/29/26/01/287292601.db2.gz WUOZJVQNERQQPO-FZMZJTMJSA-N 0 3 304.350 0.994 20 5 DCBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352646546 415266513 /nfs/dbraw/zinc/26/65/13/415266513.db2.gz POSSNMNQGGCEJC-SNVBAGLBSA-N 0 3 311.342 0.501 20 5 DCBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1COC[C@@H]1O ZINC000352797182 415322335 /nfs/dbraw/zinc/32/23/35/415322335.db2.gz IBPRVJPRGBAGRX-STQMWFEESA-N 0 3 309.322 0.615 20 5 DCBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000121173946 415796893 /nfs/dbraw/zinc/79/68/93/415796893.db2.gz HQSWWDKWCNGQOH-AAEUAGOBSA-N 0 3 322.365 0.555 20 5 DCBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)N(C)C ZINC000298307131 416001949 /nfs/dbraw/zinc/00/19/49/416001949.db2.gz NVCOCQYEITXSFB-MRVPVSSYSA-N 0 3 302.356 0.604 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000358041192 416174998 /nfs/dbraw/zinc/17/49/98/416174998.db2.gz GCXVXGQZLRNLDX-OAHLLOKOSA-N 0 3 318.333 0.873 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000358065581 416186191 /nfs/dbraw/zinc/18/61/91/416186191.db2.gz LWRMSJWOJLNFPY-CQSZACIVSA-N 0 3 309.322 0.400 20 5 DCBDHN COCCNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000179379217 416187124 /nfs/dbraw/zinc/18/71/24/416187124.db2.gz SLAHJRCFDMQLCN-UHFFFAOYSA-N 0 3 317.367 0.418 20 5 DCBDHN Cc1c(CNC(=O)NC[C@@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000359553205 416350266 /nfs/dbraw/zinc/35/02/66/416350266.db2.gz RGKFEHKFIKXXTE-HNNXBMFYSA-N 0 3 322.365 0.769 20 5 DCBDHN CCc1nn(C)c(NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000360892528 416415623 /nfs/dbraw/zinc/41/56/23/416415623.db2.gz NQHMZGSAXMARLG-UHFFFAOYSA-N 0 3 310.402 0.940 20 5 DCBDHN Cc1c(CNC(=O)[C@H]2CN3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000360525423 416394621 /nfs/dbraw/zinc/39/46/21/416394621.db2.gz AUOCEQFVZAGXAS-OAHLLOKOSA-N 0 3 318.377 0.909 20 5 DCBDHN COC(=O)c1cc(C(=O)NC[C@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC000423983599 416598780 /nfs/dbraw/zinc/59/87/80/416598780.db2.gz AMLGIOJVAOGBMF-GFCCVEGCSA-N 0 3 323.305 0.100 20 5 DCBDHN O=C(NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423993989 416601954 /nfs/dbraw/zinc/60/19/54/416601954.db2.gz RMNFHZGDVANLTD-SNVBAGLBSA-N 0 3 316.317 0.861 20 5 DCBDHN O=[N+]([O-])c1cccc2ncnc(NCCN3CC[C@@H](O)C3)c21 ZINC000599176416 416609127 /nfs/dbraw/zinc/60/91/27/416609127.db2.gz UJMZZVSPSMYCIA-SNVBAGLBSA-N 0 3 303.322 1.017 20 5 DCBDHN CN1CCN(CCNc2ccc(N)c([N+](=O)[O-])n2)CC1(C)C ZINC000596223664 416579487 /nfs/dbraw/zinc/57/94/87/416579487.db2.gz UIBHIEIGISHZNF-UHFFFAOYSA-N 0 3 308.386 1.010 20 5 DCBDHN COc1cccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000516938249 416759699 /nfs/dbraw/zinc/75/96/99/416759699.db2.gz MLTDMHXSSFCPLL-UWVGGRQHSA-N 0 3 306.322 0.352 20 5 DCBDHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565548305 416990406 /nfs/dbraw/zinc/99/04/06/416990406.db2.gz GOECLQQRMGLDNW-KOLCDFICSA-N 0 3 322.296 0.118 20 5 DCBDHN CNc1nccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000574582355 417485425 /nfs/dbraw/zinc/48/54/25/417485425.db2.gz GVKNGTHMBQFYPC-NXEZZACHSA-N 0 3 307.354 1.244 20 5 DCBDHN C[C@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(C)C ZINC000362553543 262046631 /nfs/dbraw/zinc/04/66/31/262046631.db2.gz VMEKYKBIWVTEFZ-SNVBAGLBSA-N 0 3 323.349 0.975 20 5 DCBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCNCC1 ZINC000418086310 262269551 /nfs/dbraw/zinc/26/95/51/262269551.db2.gz YDLQUTVLYDTONV-UHFFFAOYSA-N 0 3 318.337 0.976 20 5 DCBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCNCC1 ZINC000418927651 262299203 /nfs/dbraw/zinc/29/92/03/262299203.db2.gz XMMIAMJTRVWOKW-UHFFFAOYSA-N 0 3 320.349 0.075 20 5 DCBDHN COc1cc(CNC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc1[O-] ZINC000131483618 522461110 /nfs/dbraw/zinc/46/11/10/522461110.db2.gz BZAQNAWAXLQXNV-AWEZNQCLSA-N 0 3 313.354 0.711 20 5 DCBDHN CN(CCc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266401818 522966923 /nfs/dbraw/zinc/96/69/23/522966923.db2.gz FCTGKRJMXQPPEH-AWEZNQCLSA-N 0 3 305.338 0.722 20 5 DCBDHN C[C@@H]1SCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000247226964 525624503 /nfs/dbraw/zinc/62/45/03/525624503.db2.gz CZVSPKSRGVHIHU-JBLDHEPKSA-N 0 3 300.384 0.978 20 5 DCBDHN CC(COC(=O)Cc1ccccc1S(C)(=O)=O)[N+](=O)[O-] ZINC000813103100 658713302 /nfs/dbraw/zinc/71/33/02/658713302.db2.gz NPEYNMWYQWLSSM-VIFPVBQESA-N 0 3 301.320 0.841 20 5 DCBDHN Cc1nnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001022064150 658822424 /nfs/dbraw/zinc/82/24/24/658822424.db2.gz YJTOLEGHEOCGGN-UTINFBMNSA-N 0 3 311.367 0.249 20 5 DCBDHN Cc1ncoc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025776631 659557217 /nfs/dbraw/zinc/55/72/17/659557217.db2.gz CXCMEOSGTQQLNA-HMUNZLOLSA-N 0 3 306.322 0.195 20 5 DCBDHN Cc1ncc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001002789049 666219737 /nfs/dbraw/zinc/21/97/37/666219737.db2.gz RNYIDOIMLWZCJO-CHWSQXEVSA-N 0 3 308.338 0.729 20 5 DCBDHN CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931398741 669191472 /nfs/dbraw/zinc/19/14/72/669191472.db2.gz UDVZXICAVFLDIQ-AWEZNQCLSA-N 0 3 309.366 0.972 20 5 DCBDHN CN(C)CCN1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1=O ZINC000882523493 669540752 /nfs/dbraw/zinc/54/07/52/669540752.db2.gz RAZSSTGVUXPDHP-UHFFFAOYSA-N 0 3 311.317 0.339 20 5 DCBDHN COc1cnccc1N1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000794698663 669860015 /nfs/dbraw/zinc/86/00/15/669860015.db2.gz IKPJJCFNBGJUJD-UHFFFAOYSA-N 0 3 318.337 0.975 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000808160481 670393522 /nfs/dbraw/zinc/39/35/22/670393522.db2.gz VONZQLCEHSGYAY-VXGBXAGGSA-N 0 3 320.349 0.458 20 5 DCBDHN CC(COC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)[N+](=O)[O-] ZINC000813111185 670611435 /nfs/dbraw/zinc/61/14/35/670611435.db2.gz PVIGBTLTVNDGSK-VLEAKVRGSA-N 0 3 312.322 0.759 20 5 DCBDHN CC(COC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)[N+](=O)[O-] ZINC000813109004 670612052 /nfs/dbraw/zinc/61/20/52/670612052.db2.gz NLNLWWCDTCKGAO-BDAKNGLRSA-N 0 3 313.310 0.448 20 5 DCBDHN CC(COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813115775 670612570 /nfs/dbraw/zinc/61/25/70/670612570.db2.gz ZKUXFBTZKSFBLS-MRVPVSSYSA-N 0 3 321.249 0.998 20 5 DCBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)CNC2=O)[N+](=O)[O-] ZINC000816091194 670786555 /nfs/dbraw/zinc/78/65/55/670786555.db2.gz NTURYNKDVVFDRY-SSDOTTSWSA-N 0 3 307.262 0.191 20 5 DCBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CNCCO3)CC2)cc1 ZINC000852743470 671153958 /nfs/dbraw/zinc/15/39/58/671153958.db2.gz YTSKVZOQDTWWBZ-HNNXBMFYSA-N 0 3 306.366 0.705 20 5 DCBDHN CC(COC(=O)c1ccc(C(=O)N2CCOCC2)cc1)[N+](=O)[O-] ZINC000860776167 671237041 /nfs/dbraw/zinc/23/70/41/671237041.db2.gz CHWLLUHDJYLRHS-NSHDSACASA-N 0 3 322.317 0.981 20 5 DCBDHN Cc1nnnn1-c1ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c1 ZINC000835457105 671797212 /nfs/dbraw/zinc/79/72/12/671797212.db2.gz WVZLMCKJKVCAHL-ZETCQYMHSA-N 0 3 309.257 0.932 20 5 DCBDHN Cc1nc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)oc1C ZINC001020139310 693709618 /nfs/dbraw/zinc/70/96/18/693709618.db2.gz XIAWOCOGCQNBDQ-DDHJBXDOSA-N 0 3 308.338 0.693 20 5 DCBDHN O=C(NCC1(O)CN(CCC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001569772846 1161239519 /nfs/dbraw/zinc/23/95/19/1161239519.db2.gz BKCVCTVLPLFHDQ-CHWSQXEVSA-N 0 3 311.382 0.395 20 5 DCBDHN C[C@H](C(=O)NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1F ZINC001575069404 1163878313 /nfs/dbraw/zinc/87/83/13/1163878313.db2.gz LQSPISLLACCNOZ-GXSJLCMTSA-N 0 3 311.313 0.942 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001580666613 1165679792 /nfs/dbraw/zinc/67/97/92/1165679792.db2.gz SKYTXNBBHAVFAB-ZETCQYMHSA-N 0 3 301.249 0.591 20 5 DCBDHN COCC[N@H+](C)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591420493 1167277944 /nfs/dbraw/zinc/27/79/44/1167277944.db2.gz ITNDTHODYXMADI-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN COCC[N@@H+](C)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591420493 1167277949 /nfs/dbraw/zinc/27/79/49/1167277949.db2.gz ITNDTHODYXMADI-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN Cn1cnnc1CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001655642334 1173824246 /nfs/dbraw/zinc/82/42/46/1173824246.db2.gz FMAFEHAZCJOGOJ-UHFFFAOYSA-N 0 3 319.369 0.875 20 5 DCBDHN COC1(OC)CCOC[C@H]1NCCn1c(C)ncc1[N+](=O)[O-] ZINC001660001440 1173938167 /nfs/dbraw/zinc/93/81/67/1173938167.db2.gz GLQCGEAQUOGAOE-LLVKDONJSA-N 0 3 314.342 0.467 20 5 DCBDHN NC(=O)CC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001731440853 1185333466 /nfs/dbraw/zinc/33/34/66/1185333466.db2.gz VAGAZRALUVRWGD-XYPYZODXSA-N 0 3 306.322 0.207 20 5 DCBDHN Cc1nccnc1CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001754119143 1188748736 /nfs/dbraw/zinc/74/87/36/1188748736.db2.gz HYRZHSWIBQDIQP-XFKWNRGUSA-N 0 3 305.338 0.212 20 5 DCBDHN C[NH+](C)CCC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097251683 755636268 /nfs/dbraw/zinc/63/62/68/755636268.db2.gz HJQIMUIBNHDNJP-AOOOYVTPSA-N 0 3 323.353 0.706 20 5 DCBDHN CN(c1ccc2c(cccc2[N+](=O)[O-])n1)S(=O)(=O)CCN ZINC001156236109 760518072 /nfs/dbraw/zinc/51/80/72/760518072.db2.gz FJDCUXFCPFXSAX-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnc[n-]c1=O ZINC001130077238 763116339 /nfs/dbraw/zinc/11/63/39/763116339.db2.gz XSDCVRBOPJXUSW-UHFFFAOYSA-N 0 3 317.305 0.610 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1n[nH]cc1F ZINC001133479185 764982189 /nfs/dbraw/zinc/98/21/89/764982189.db2.gz SIARPXZUMGDYLW-UHFFFAOYSA-N 0 3 307.285 0.977 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccncn1 ZINC001135542495 765967481 /nfs/dbraw/zinc/96/74/81/765967481.db2.gz GFCAIRNQSCHZCX-UHFFFAOYSA-N 0 3 301.306 0.904 20 5 DCBDHN CCn1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)nn1 ZINC001135994169 766200988 /nfs/dbraw/zinc/20/09/88/766200988.db2.gz IJFUUGBSNWMOJW-UHFFFAOYSA-N 0 3 318.337 0.726 20 5 DCBDHN Cc1nonc1CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001146252256 767409213 /nfs/dbraw/zinc/40/92/13/767409213.db2.gz YFAFXUZSXSLTGY-UHFFFAOYSA-N 0 3 319.321 0.735 20 5 DCBDHN O=C(Cc1nnc[nH]1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001147271597 767701347 /nfs/dbraw/zinc/70/13/47/767701347.db2.gz KFTVWKBZRBAPEL-UHFFFAOYSA-N 0 3 310.339 0.223 20 5 DCBDHN O=C(Cn1cncn1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001150250197 769049434 /nfs/dbraw/zinc/04/94/34/769049434.db2.gz QTBPQZANSKTNLK-UHFFFAOYSA-N 0 3 304.310 0.092 20 5 DCBDHN CC(=O)NCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001231258762 769210872 /nfs/dbraw/zinc/21/08/72/769210872.db2.gz LELAVLGFVXXJMM-UHFFFAOYSA-N 0 3 322.365 0.669 20 5 DCBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001173231496 769567938 /nfs/dbraw/zinc/56/79/38/769567938.db2.gz ZXFZOBWIWYYZNA-DCAQKATOSA-N 0 3 322.365 0.494 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C(C)(C)F ZINC001154101069 770071746 /nfs/dbraw/zinc/07/17/46/770071746.db2.gz GFTQGFIMTJNUKA-UHFFFAOYSA-N 0 3 301.322 0.672 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)Cc1ccc[nH]1 ZINC001176658583 770158466 /nfs/dbraw/zinc/15/84/66/770158466.db2.gz QFPOEEQBPRPLKS-UHFFFAOYSA-N 0 3 320.353 0.495 20 5 DCBDHN COc1ccc(CC(=O)NCCN(C)CCO)cc1[N+](=O)[O-] ZINC001155251712 770451331 /nfs/dbraw/zinc/45/13/31/770451331.db2.gz XBUUDULSEKJKLT-UHFFFAOYSA-N 0 3 311.338 0.186 20 5 DCBDHN CCOc1nc(NC(=N)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001157915581 771693470 /nfs/dbraw/zinc/69/34/70/771693470.db2.gz SMWVKJKBPRNINJ-UHFFFAOYSA-N 0 3 308.342 0.983 20 5 DCBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1ncc2c1CCNC2 ZINC001165220169 772707275 /nfs/dbraw/zinc/70/72/75/772707275.db2.gz HVXIKADVLNTHCH-UHFFFAOYSA-N 0 3 317.305 0.998 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCCN1CCN(C)CC1 ZINC001224550413 775583060 /nfs/dbraw/zinc/58/30/60/775583060.db2.gz VBZMWHPCTCKNMP-GFCCVEGCSA-N 0 3 311.386 0.752 20 5 DCBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cn[nH]n1 ZINC001268460658 940149396 /nfs/dbraw/zinc/14/93/96/940149396.db2.gz HTCDIQONRYLVCL-UHFFFAOYSA-N 0 3 318.337 0.965 20 5 DCBDHN CC(C)c1nnc(CNCC=CCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001268541434 940224919 /nfs/dbraw/zinc/22/49/19/940224919.db2.gz JMTAALBSIXKCJB-ANDSXOESSA-N 0 3 322.369 0.355 20 5 DCBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cocn1 ZINC001322439052 946678379 /nfs/dbraw/zinc/67/83/79/946678379.db2.gz AFBJUGUNWASCEO-UHFFFAOYSA-N 0 3 322.325 0.568 20 5 DCBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCOC2(CNC2)C1 ZINC001333755886 952145776 /nfs/dbraw/zinc/14/57/76/952145776.db2.gz WDDWXPTUZMRXBB-ZZXKWVIFSA-N 0 3 303.318 0.809 20 5 DCBDHN C[C@H](NC(=O)C(=O)N(C)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001335395312 952531337 /nfs/dbraw/zinc/53/13/37/952531337.db2.gz DVTJSEWIPGUFHY-NSHDSACASA-N 0 3 322.365 0.792 20 5 DCBDHN C[C@H](c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001338056526 952955762 /nfs/dbraw/zinc/95/57/62/952955762.db2.gz KWZDAKKXVQFKPH-NEPJUHHUSA-N 0 3 324.385 0.311 20 5 DCBDHN C[C@@H](c1nnc(N2CCN(C3CCOCC3)CC2)n1C)[N+](=O)[O-] ZINC001339542313 953101495 /nfs/dbraw/zinc/10/14/95/953101495.db2.gz RMQNFFJLAOFTAF-NSHDSACASA-N 0 3 324.385 0.454 20 5 DCBDHN CCCNC(=O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001346618521 953930645 /nfs/dbraw/zinc/93/06/45/953930645.db2.gz CESNOKSSLLCZSO-GFCCVEGCSA-N 0 3 311.338 0.450 20 5 DCBDHN O=[N+]([O-])c1ccn(CC[NH+]2CCC(Cc3nnn[n-]3)CC2)n1 ZINC001473764712 1016962391 /nfs/dbraw/zinc/96/23/91/1016962391.db2.gz RBULRVNUTYPZCW-UHFFFAOYSA-N 0 3 306.330 0.259 20 5 DCBDHN C[C@@H]1[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCN1C ZINC001558424814 1012354818 /nfs/dbraw/zinc/35/48/18/1012354818.db2.gz BKZBFOLSGYKCGX-ZYHUDNBSSA-N 0 3 321.333 0.995 20 5 DCBDHN NC(=O)c1ccc(CN[C@H](CO)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001559909553 1012435058 /nfs/dbraw/zinc/43/50/58/1012435058.db2.gz IVXNAIUUCHSPDG-QWHCGFSZSA-N 0 3 323.349 0.571 20 5 DCBDHN COC(=O)NCC(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001493487828 1019457195 /nfs/dbraw/zinc/45/71/95/1019457195.db2.gz RTWRXOAZXRVDII-UHFFFAOYSA-N 0 3 324.337 0.499 20 5 DCBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000278703410 214338824 /nfs/dbraw/zinc/33/88/24/214338824.db2.gz IOJPOXXUKBFRCI-SNVBAGLBSA-N 0 3 322.369 0.657 20 5 DCBDHN COc1ccc(S(=O)(=O)N(C)C2CNC2)c([N+](=O)[O-])c1 ZINC000090289978 185289592 /nfs/dbraw/zinc/28/95/92/185289592.db2.gz DNAARGFNNUGOAT-UHFFFAOYSA-N 0 3 301.324 0.196 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331372774 233216029 /nfs/dbraw/zinc/21/60/29/233216029.db2.gz JGHDSNGZUXHATB-JTQLQIEISA-N 0 3 309.326 0.112 20 5 DCBDHN Cn1cnc(CCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000566110610 291270606 /nfs/dbraw/zinc/27/06/06/291270606.db2.gz NHALFCGYNBFKCU-LBPRGKRZSA-N 0 3 321.337 0.295 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490233 291307747 /nfs/dbraw/zinc/30/77/47/291307747.db2.gz FHHMTUQITGGQHX-BDSSXFGHSA-N 0 3 316.361 0.852 20 5 DCBDHN CN(C)CCN(C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272951673 210338431 /nfs/dbraw/zinc/33/84/31/210338431.db2.gz XQLKGVWJZRTMNW-UHFFFAOYSA-N 0 3 302.356 0.240 20 5 DCBDHN CCCc1n[nH]c(C(=O)NCCNc2ccncc2)c1[N+](=O)[O-] ZINC000346187554 254020491 /nfs/dbraw/zinc/02/04/91/254020491.db2.gz DXZQPMKFFLWSPT-UHFFFAOYSA-N 0 3 318.337 0.929 20 5 DCBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346185085 254020532 /nfs/dbraw/zinc/02/05/32/254020532.db2.gz NSULXDRDCMOBFD-SRVKXCTJSA-N 0 3 322.369 0.375 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2CN2CCOCC2)n1 ZINC000176270022 285167939 /nfs/dbraw/zinc/16/79/39/285167939.db2.gz XWSNJSPEBPCWPG-ZDUSSCGKSA-N 0 3 309.370 0.588 20 5 DCBDHN CN(C)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000347187762 254137318 /nfs/dbraw/zinc/13/73/18/254137318.db2.gz XWVZUABJBQMOQI-UHFFFAOYSA-N 0 3 317.367 0.451 20 5 DCBDHN CN1CCC(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351139832 254333627 /nfs/dbraw/zinc/33/36/27/254333627.db2.gz JSJXEKNXCPLWRF-UHFFFAOYSA-N 0 3 324.312 0.883 20 5 DCBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC[N@@H+]1CC(C)(C)O ZINC000275542963 130332475 /nfs/dbraw/zinc/33/24/75/130332475.db2.gz GZKPETZRLFKAFD-JTQLQIEISA-N 0 3 310.354 0.840 20 5 DCBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC[N@H+]1CC(C)(C)O ZINC000275542963 130332479 /nfs/dbraw/zinc/33/24/79/130332479.db2.gz GZKPETZRLFKAFD-JTQLQIEISA-N 0 3 310.354 0.840 20 5 DCBDHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193641344 395775381 /nfs/dbraw/zinc/77/53/81/395775381.db2.gz JZNSLEVIHQEJAG-SCDSUCTJSA-N 0 3 323.349 0.449 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(c2ccncc2)CC1 ZINC000048269916 395812583 /nfs/dbraw/zinc/81/25/83/395812583.db2.gz QUBFNSRNIHYLHN-UHFFFAOYSA-N 0 3 316.321 0.535 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C1 ZINC000052093598 395858887 /nfs/dbraw/zinc/85/88/87/395858887.db2.gz ZSTNYEHAXNSKOK-MRVPVSSYSA-N 0 3 301.324 0.244 20 5 DCBDHN CS[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1N(C)C ZINC000271215825 395847446 /nfs/dbraw/zinc/84/74/46/395847446.db2.gz ZFTLGDHLUCDPDV-ZJUUUORDSA-N 0 3 313.383 0.295 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000119060610 395867311 /nfs/dbraw/zinc/86/73/11/395867311.db2.gz INRVZSRHKOTCMM-LBPRGKRZSA-N 0 3 305.342 0.795 20 5 DCBDHN CN(C)CCn1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000061634876 395969641 /nfs/dbraw/zinc/96/96/41/395969641.db2.gz RFPHVGQYWBEAEP-UHFFFAOYSA-N 0 3 321.341 0.578 20 5 DCBDHN O=C(CNC[C@H]1CCCO1)NCCNc1ccccc1[N+](=O)[O-] ZINC000150758107 395972069 /nfs/dbraw/zinc/97/20/69/395972069.db2.gz FRIJYSUIEGJUQH-GFCCVEGCSA-N 0 3 322.365 0.892 20 5 DCBDHN C[C@H](CN1CCCCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151269591 395983156 /nfs/dbraw/zinc/98/31/56/395983156.db2.gz GJALCPIAHBRUEY-GFCCVEGCSA-N 0 3 324.385 0.965 20 5 DCBDHN Cn1ccnc1[C@@H]1CNCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000261769825 396064315 /nfs/dbraw/zinc/06/43/15/396064315.db2.gz NWDOVQFJAGMZCZ-NSHDSACASA-N 0 3 305.342 0.171 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC000252404566 396018993 /nfs/dbraw/zinc/01/89/93/396018993.db2.gz CTNASFDWQUHTAE-GDGBQDQQSA-N 0 3 313.335 0.100 20 5 DCBDHN CCN1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176659104 396159207 /nfs/dbraw/zinc/15/92/07/396159207.db2.gz MOAWXGUWVJEXNE-UHFFFAOYSA-N 0 3 321.381 0.544 20 5 DCBDHN CCN1CCC[C@@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000177031646 396164578 /nfs/dbraw/zinc/16/45/78/396164578.db2.gz AVBRUBAQEAGJNH-GFCCVEGCSA-N 0 3 322.365 0.699 20 5 DCBDHN CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1(C)C ZINC000281850921 396244601 /nfs/dbraw/zinc/24/46/01/396244601.db2.gz ULWDQCSIWIWVAE-UHFFFAOYSA-N 0 3 310.354 0.944 20 5 DCBDHN COCCN(C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079939885 396272662 /nfs/dbraw/zinc/27/26/62/396272662.db2.gz KYURKXYBOCKWJJ-UHFFFAOYSA-N 0 3 324.381 0.725 20 5 DCBDHN Cc1cc(C(=O)NCC(=O)N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000183750704 396274007 /nfs/dbraw/zinc/27/40/07/396274007.db2.gz YIRZLMQOBCBPFF-UHFFFAOYSA-N 0 3 322.365 0.653 20 5 DCBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000083244454 396314066 /nfs/dbraw/zinc/31/40/66/396314066.db2.gz DANPXCVDDVOZLS-MRXNPFEDSA-N 0 3 323.393 0.762 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000266768167 396352837 /nfs/dbraw/zinc/35/28/37/396352837.db2.gz RMJLCXDTXXUTQO-CYBMUJFWSA-N 0 3 320.353 0.755 20 5 DCBDHN CN1C[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000192920218 396440457 /nfs/dbraw/zinc/44/04/57/396440457.db2.gz NXNKTRXMTSJWPE-PHIMTYICSA-N 0 3 311.363 0.777 20 5 DCBDHN Cn1cc2c(n1)CCC[C@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515376339 396504298 /nfs/dbraw/zinc/50/42/98/396504298.db2.gz JITRVCRTLIRXKT-WCQYABFASA-N 0 3 320.353 0.553 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270360982 396464923 /nfs/dbraw/zinc/46/49/23/396464923.db2.gz BQMVNSUNDLXNMX-OAHLLOKOSA-N 0 3 324.381 0.749 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2C1=O ZINC000581559204 396565062 /nfs/dbraw/zinc/56/50/62/396565062.db2.gz QGSUHABHJLZYRO-NXEZZACHSA-N 0 3 316.321 0.219 20 5 DCBDHN Cc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000581677571 396575274 /nfs/dbraw/zinc/57/52/74/396575274.db2.gz GHCKQIATFUFCPG-STQMWFEESA-N 0 3 318.333 0.287 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccnn1CCN(C)C ZINC000294036121 396649571 /nfs/dbraw/zinc/64/95/71/396649571.db2.gz KHBNPWMQVKOYJU-UHFFFAOYSA-N 0 3 321.341 0.497 20 5 DCBDHN Nc1c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588862457 396695879 /nfs/dbraw/zinc/69/58/79/396695879.db2.gz BRFBKASRIDNOAI-GHMZBOCLSA-N 0 3 320.349 0.458 20 5 DCBDHN Cc1cccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000588873814 396696589 /nfs/dbraw/zinc/69/65/89/396696589.db2.gz QHPIVKOGGUEWCE-LLVKDONJSA-N 0 3 322.365 0.699 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000588864670 396696936 /nfs/dbraw/zinc/69/69/36/396696936.db2.gz MYOGAYXUHAPNLN-LBPRGKRZSA-N 0 3 322.365 0.821 20 5 DCBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000610925108 396784953 /nfs/dbraw/zinc/78/49/53/396784953.db2.gz OLBOGVJFHGZIGM-NSHDSACASA-N 0 3 308.338 0.906 20 5 DCBDHN CN1CCN(CC2CN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000590400264 396772087 /nfs/dbraw/zinc/77/20/87/396772087.db2.gz SBXZASREHMNGJS-UHFFFAOYSA-N 0 3 318.377 0.914 20 5 DCBDHN C[C@H](O)[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000564205020 396814820 /nfs/dbraw/zinc/81/48/20/396814820.db2.gz UKEQROCUYBNKQW-UWVGGRQHSA-N 0 3 317.367 0.232 20 5 DCBDHN O=C1CCC[C@@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)N1 ZINC000591763757 396998353 /nfs/dbraw/zinc/99/83/53/396998353.db2.gz HMCSXRUTYHHXHQ-WCQYABFASA-N 0 3 323.349 0.593 20 5 DCBDHN CN(C)c1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000591757397 396998943 /nfs/dbraw/zinc/99/89/43/396998943.db2.gz XCGHICMSISINNP-ZDUSSCGKSA-N 0 3 320.353 0.403 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597652868 397044882 /nfs/dbraw/zinc/04/48/82/397044882.db2.gz FOYGPSXBXNQIRW-LLVKDONJSA-N 0 3 311.338 0.402 20 5 DCBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612789046 397138964 /nfs/dbraw/zinc/13/89/64/397138964.db2.gz HMDLKFVORJQKBO-GFCCVEGCSA-N 0 3 320.353 0.303 20 5 DCBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)C(F)(F)F ZINC000592431366 397175122 /nfs/dbraw/zinc/17/51/22/397175122.db2.gz XPXKADYIAFWSGR-NBEYISGCSA-N 0 3 312.248 0.054 20 5 DCBDHN CC1(C)CC[C@H](CO)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598648089 397266949 /nfs/dbraw/zinc/26/69/49/397266949.db2.gz NQBBXNVEEQOEHK-YPMHNXCESA-N 0 3 312.370 0.635 20 5 DCBDHN C[C@@H](CN(C)C)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598625360 397263627 /nfs/dbraw/zinc/26/36/27/397263627.db2.gz OSWULYATUUHOOH-JTQLQIEISA-N 0 3 310.358 0.583 20 5 DCBDHN CS(=O)(=O)N1CC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000400236665 397318015 /nfs/dbraw/zinc/31/80/15/397318015.db2.gz GUGONZVCULXYOZ-GFCCVEGCSA-N 0 3 313.379 0.761 20 5 DCBDHN CS(=O)(=O)N1CC[C@H](NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000400236668 397318504 /nfs/dbraw/zinc/31/85/04/397318504.db2.gz GUGONZVCULXYOZ-LBPRGKRZSA-N 0 3 313.379 0.761 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](CO)COC(C)C ZINC000602818514 397495156 /nfs/dbraw/zinc/49/51/56/397495156.db2.gz FJVBALUOUFCVRJ-GFCCVEGCSA-N 0 3 300.359 0.817 20 5 DCBDHN Cn1c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938622 397545837 /nfs/dbraw/zinc/54/58/37/397545837.db2.gz QXIWQUQSVFRUEE-WDEREUQCSA-N 0 3 308.338 0.214 20 5 DCBDHN Cn1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000604558621 397643923 /nfs/dbraw/zinc/64/39/23/397643923.db2.gz JHBSYHUOBMJURW-ZDUSSCGKSA-N 0 3 306.322 0.858 20 5 DCBDHN CC[C@@](C)(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000133557128 158320529 /nfs/dbraw/zinc/32/05/29/158320529.db2.gz GGGKEAIKWIKQPZ-BXUZGUMPSA-N 0 3 311.338 0.578 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000171453616 158383304 /nfs/dbraw/zinc/38/33/04/158383304.db2.gz GVHGVWUHEXSOBT-LBPRGKRZSA-N 0 3 307.354 0.796 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cnc2c(c1)CNCC2 ZINC000367365403 159333538 /nfs/dbraw/zinc/33/35/38/159333538.db2.gz NIFXTRJJRDBZAX-UHFFFAOYSA-N 0 3 302.294 0.471 20 5 DCBDHN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000370731664 287224226 /nfs/dbraw/zinc/22/42/26/287224226.db2.gz YXSMKBKBOSVNQY-QWRGUYRKSA-N 0 3 317.342 0.714 20 5 DCBDHN C[C@H]1CN(C2CCOCC2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000332195934 415291445 /nfs/dbraw/zinc/29/14/45/415291445.db2.gz YRGQZEQXYMVCBI-ZDUSSCGKSA-N 0 3 323.397 0.976 20 5 DCBDHN NC(=O)N[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342875688 415329071 /nfs/dbraw/zinc/32/90/71/415329071.db2.gz XJFYLAPJPQUHOS-NSHDSACASA-N 0 3 321.337 0.666 20 5 DCBDHN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[C@@H]1N1CCN(C)CC1 ZINC000343477739 415610857 /nfs/dbraw/zinc/61/08/57/415610857.db2.gz SRLGJWOSOVTBOF-OLZOCXBDSA-N 0 3 322.413 0.791 20 5 DCBDHN C[C@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCN1C ZINC000343433700 415599059 /nfs/dbraw/zinc/59/90/59/415599059.db2.gz GSXWOAWNPUGBIT-CMPLNLGQSA-N 0 3 308.338 0.355 20 5 DCBDHN COC(=O)CC[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000288774170 415687277 /nfs/dbraw/zinc/68/72/77/415687277.db2.gz PMZSWRBOHPLTIV-LLVKDONJSA-N 0 3 309.322 0.834 20 5 DCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290822605 415825351 /nfs/dbraw/zinc/82/53/51/415825351.db2.gz STUATXDBNKFUDL-KOLCDFICSA-N 0 3 307.354 0.865 20 5 DCBDHN CCN1CCC(NC(=O)Cn2ccc(C)c([N+](=O)[O-])c2=O)CC1 ZINC000129801118 415912419 /nfs/dbraw/zinc/91/24/19/415912419.db2.gz PNJQXKTXAPZFAC-UHFFFAOYSA-N 0 3 322.365 0.665 20 5 DCBDHN COCCN(C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171202730 416037509 /nfs/dbraw/zinc/03/75/09/416037509.db2.gz KQVYIGVMUYELLJ-UHFFFAOYSA-N 0 3 310.354 0.972 20 5 DCBDHN CN(C)CCN(Cc1ccco1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000347184567 416212745 /nfs/dbraw/zinc/21/27/45/416212745.db2.gz DMVFVFIMMRWXJT-UHFFFAOYSA-N 0 3 306.326 1.128 20 5 DCBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415392855 416341923 /nfs/dbraw/zinc/34/19/23/416341923.db2.gz YOCJCLOFXKKBIV-WPRPVWTQSA-N 0 3 309.326 0.646 20 5 DCBDHN Cc1c(NC(=O)C(=O)N[C@H](CN)C2CC2)cccc1[N+](=O)[O-] ZINC000415451053 416343787 /nfs/dbraw/zinc/34/37/87/416343787.db2.gz KLYKADFNPNHZJK-LLVKDONJSA-N 0 3 306.322 0.695 20 5 DCBDHN Cc1ccc(NC(=O)C(=O)N[C@H](CN)C2CC2)cc1[N+](=O)[O-] ZINC000415455110 416344257 /nfs/dbraw/zinc/34/42/57/416344257.db2.gz PGNDQHBOGFCSLA-LLVKDONJSA-N 0 3 306.322 0.695 20 5 DCBDHN CN(C)C1(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000416289792 416363339 /nfs/dbraw/zinc/36/33/39/416363339.db2.gz KJVOYGPXHWYRNH-UHFFFAOYSA-N 0 3 320.349 0.535 20 5 DCBDHN CN1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000583430403 416463030 /nfs/dbraw/zinc/46/30/30/416463030.db2.gz RMUQVLGZAQCKLX-ZDUSSCGKSA-N 0 3 321.381 0.422 20 5 DCBDHN CNc1nccc(C(=O)N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000594286104 416558951 /nfs/dbraw/zinc/55/89/51/416558951.db2.gz NDAGSKWUEKHBDT-NSHDSACASA-N 0 3 319.365 1.246 20 5 DCBDHN N[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000424091082 416610172 /nfs/dbraw/zinc/61/01/72/416610172.db2.gz DAKLPSBOBKJVTJ-DTWKUNHWSA-N 0 3 324.362 0.288 20 5 DCBDHN Nc1ccc(NC2CCN([C@@H]3CCOC3)CC2)nc1[N+](=O)[O-] ZINC000596167576 416577856 /nfs/dbraw/zinc/57/78/56/416577856.db2.gz LPORWCHVNMMGAK-LLVKDONJSA-N 0 3 307.354 1.237 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596198252 416579587 /nfs/dbraw/zinc/57/95/87/416579587.db2.gz YFQNWXBRWRHDRV-LLVKDONJSA-N 0 3 308.386 1.010 20 5 DCBDHN CCN(C)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000515870282 416711826 /nfs/dbraw/zinc/71/18/26/416711826.db2.gz VGWNNGDOFMRQOQ-LLVKDONJSA-N 0 3 322.325 0.262 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCCCCN1CCN(C)CC1 ZINC000516396903 416723352 /nfs/dbraw/zinc/72/33/52/416723352.db2.gz RUAJWJCXCJNJAM-UHFFFAOYSA-N 0 3 323.397 0.691 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2CO)c1 ZINC000516650860 416733643 /nfs/dbraw/zinc/73/36/43/416733643.db2.gz ITPYQMGKFINEPJ-AWEZNQCLSA-N 0 3 306.322 0.434 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CO)CC(F)(F)F)c1 ZINC000518374751 416852233 /nfs/dbraw/zinc/85/22/33/416852233.db2.gz GQUBAFHRGIWNCU-APPZFPTMSA-N 0 3 312.248 0.055 20 5 DCBDHN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCNCC1 ZINC000428444763 416897049 /nfs/dbraw/zinc/89/70/49/416897049.db2.gz DAWQROLDYPZBDN-UHFFFAOYSA-N 0 3 321.333 0.730 20 5 DCBDHN O=C(COC1CNC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000430684859 417060675 /nfs/dbraw/zinc/06/06/75/417060675.db2.gz FQSXCGSSZFFINJ-UHFFFAOYSA-N 0 3 320.349 0.232 20 5 DCBDHN Cc1cc(F)c(NC(=O)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000295881755 225343840 /nfs/dbraw/zinc/34/38/40/225343840.db2.gz AUUPUFOYFCTVOQ-UHFFFAOYSA-N 0 3 312.301 0.659 20 5 DCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1CCCO ZINC000452374575 417476742 /nfs/dbraw/zinc/47/67/42/417476742.db2.gz WZWVDBDVQUDZLL-SNVBAGLBSA-N 0 3 323.353 0.149 20 5 DCBDHN CC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N(C)C ZINC000531989454 417650644 /nfs/dbraw/zinc/65/06/44/417650644.db2.gz UVXWNLCRIBBTAP-CYBMUJFWSA-N 0 3 321.381 0.979 20 5 DCBDHN CN(C)C(=O)CCN1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000354584098 261240575 /nfs/dbraw/zinc/24/05/75/261240575.db2.gz WQJLZSUKIGUQDE-UHFFFAOYSA-N 0 3 322.369 0.739 20 5 DCBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CNCCO1 ZINC000418770980 262288075 /nfs/dbraw/zinc/28/80/75/262288075.db2.gz QYIRPSPBCUDQIT-AWEZNQCLSA-N 0 3 322.365 0.767 20 5 DCBDHN CN(CCN)C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000423097589 262429081 /nfs/dbraw/zinc/42/90/81/262429081.db2.gz JLXQGQDOGZNYQY-UHFFFAOYSA-N 0 3 320.349 0.503 20 5 DCBDHN CC(C)N1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000373392440 275637310 /nfs/dbraw/zinc/63/73/10/275637310.db2.gz LYKARURZVKDEAL-ZDUSSCGKSA-N 0 3 320.397 0.990 20 5 DCBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CNCCO1 ZINC000557147244 288411176 /nfs/dbraw/zinc/41/11/76/288411176.db2.gz HRTNSUNFRVWNSD-ZDUSSCGKSA-N 0 3 324.337 0.261 20 5 DCBDHN N[C@H]1C[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000584005449 331560929 /nfs/dbraw/zinc/56/09/29/331560929.db2.gz UGMDKURCJYTHJC-IUCAKERBSA-N 0 3 311.729 0.391 20 5 DCBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1C[NH2+]CCCO1 ZINC000389944868 336927734 /nfs/dbraw/zinc/92/77/34/336927734.db2.gz YQHAEHGJHSRZKQ-SNVBAGLBSA-N 0 3 315.351 0.252 20 5 DCBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)c1ccccc1 ZINC000266525267 523101832 /nfs/dbraw/zinc/10/18/32/523101832.db2.gz JVRVUVCOVYRQGU-LSDHHAIUSA-N 0 3 320.349 0.818 20 5 DCBDHN CN(C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278142848 535885360 /nfs/dbraw/zinc/88/53/60/535885360.db2.gz AGLWWLPQCDRLSG-UHFFFAOYSA-N 0 3 306.326 0.832 20 5 DCBDHN C[NH+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736757950 598828828 /nfs/dbraw/zinc/82/88/28/598828828.db2.gz AOAGBIPDJRUVAG-SECBINFHSA-N 0 3 318.341 0.558 20 5 DCBDHN C[NH+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736757950 598828830 /nfs/dbraw/zinc/82/88/30/598828830.db2.gz AOAGBIPDJRUVAG-SECBINFHSA-N 0 3 318.341 0.558 20 5 DCBDHN C[N@H+]1CC=C(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826022611 608587183 /nfs/dbraw/zinc/58/71/83/608587183.db2.gz PDVAIGFTZOIIPR-UHFFFAOYSA-N 0 3 316.325 0.844 20 5 DCBDHN C[N@@H+]1CC=C(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826022611 608587184 /nfs/dbraw/zinc/58/71/84/608587184.db2.gz PDVAIGFTZOIIPR-UHFFFAOYSA-N 0 3 316.325 0.844 20 5 DCBDHN C[N@H+]1CC=C(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826022611 608587185 /nfs/dbraw/zinc/58/71/85/608587185.db2.gz PDVAIGFTZOIIPR-UHFFFAOYSA-N 0 3 316.325 0.844 20 5 DCBDHN C[N@@H+]1CC=C(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826022611 608587186 /nfs/dbraw/zinc/58/71/86/608587186.db2.gz PDVAIGFTZOIIPR-UHFFFAOYSA-N 0 3 316.325 0.844 20 5 DCBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2CCCS2(=O)=O)cc1 ZINC000158667680 658546895 /nfs/dbraw/zinc/54/68/95/658546895.db2.gz MWIPTGBWSJFMAL-CHWSQXEVSA-N 0 3 314.363 0.795 20 5 DCBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCN(C)CCO)c1F ZINC000924996760 661849586 /nfs/dbraw/zinc/84/95/86/661849586.db2.gz BNZFZIXDFBLBMM-UHFFFAOYSA-N 0 3 317.292 0.835 20 5 DCBDHN Cc1sc(C(=O)N(C)CCN(C)CCO)cc1[N+](=O)[O-] ZINC000912609990 664195029 /nfs/dbraw/zinc/19/50/29/664195029.db2.gz WRCPZPVJBJUSOM-UHFFFAOYSA-N 0 3 301.368 0.961 20 5 DCBDHN Cc1nc(CCN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001031662899 665274338 /nfs/dbraw/zinc/27/43/38/665274338.db2.gz OMECQRQQOOVKHX-CHWSQXEVSA-N 0 3 324.406 0.707 20 5 DCBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)Cn2ccnn2)cc1Cl ZINC000839178065 667734840 /nfs/dbraw/zinc/73/48/40/667734840.db2.gz BIMMXUUKSCINLK-JTQLQIEISA-N 0 3 311.729 0.990 20 5 DCBDHN Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874846272 668226733 /nfs/dbraw/zinc/22/67/33/668226733.db2.gz XQYWVTIWQYWREM-MNOVXSKESA-N 0 3 307.354 0.945 20 5 DCBDHN O=C(CN[C@H](CO)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000771810322 668752934 /nfs/dbraw/zinc/75/29/34/668752934.db2.gz YCDZIUKZFKVCEF-CYBMUJFWSA-N 0 3 305.334 0.844 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](CN2CCOC2=O)C1 ZINC000878660137 668753212 /nfs/dbraw/zinc/75/32/12/668753212.db2.gz PFWZAUJTYJLPQU-GFCCVEGCSA-N 0 3 323.353 0.874 20 5 DCBDHN COc1cnccc1N1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000794701529 669859987 /nfs/dbraw/zinc/85/99/87/669859987.db2.gz RBNPOZCZBDECAD-UHFFFAOYSA-N 0 3 318.337 0.975 20 5 DCBDHN Nc1c(C(=O)N[C@H](CO)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000808224917 670400164 /nfs/dbraw/zinc/40/01/64/670400164.db2.gz XBXZQSBGLUPWCP-JTQLQIEISA-N 0 3 308.338 0.364 20 5 DCBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H](CO)CN1CCCC1 ZINC000808221417 670400523 /nfs/dbraw/zinc/40/05/23/670400523.db2.gz QCZFWNIXKRNWIK-LBPRGKRZSA-N 0 3 322.365 0.580 20 5 DCBDHN CC(COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N+](=O)[O-] ZINC000813103209 670610953 /nfs/dbraw/zinc/61/09/53/670610953.db2.gz AXWOHPVSGLVEGY-MRVPVSSYSA-N 0 3 321.249 0.998 20 5 DCBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCC(N)=O ZINC000813105427 670611702 /nfs/dbraw/zinc/61/17/02/670611702.db2.gz ZFKOCRZUVUXCBD-QMMMGPOBSA-N 0 3 312.278 0.381 20 5 DCBDHN CCC1(CC)NC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C1=O ZINC000813110720 670611724 /nfs/dbraw/zinc/61/17/24/670611724.db2.gz IBGMOAMZVFVMOA-QMMMGPOBSA-N 0 3 301.299 0.305 20 5 DCBDHN CC(COC(=O)CCNS(=O)(=O)c1cccs1)[N+](=O)[O-] ZINC000813110374 670611835 /nfs/dbraw/zinc/61/18/35/670611835.db2.gz YZJLGPHMXQPSQG-QMMMGPOBSA-N 0 3 322.364 0.625 20 5 DCBDHN CC(COC(=O)Cc1nn(C)c(=O)c2ccccc12)[N+](=O)[O-] ZINC000813111406 670612169 /nfs/dbraw/zinc/61/21/69/670612169.db2.gz TXVKGFZTUMSNQG-VIFPVBQESA-N 0 3 305.290 0.684 20 5 DCBDHN CC(COC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)[N+](=O)[O-] ZINC000813112934 670612760 /nfs/dbraw/zinc/61/27/60/670612760.db2.gz MITDLMKRBVMGNA-BXKDBHETSA-N 0 3 320.305 0.315 20 5 DCBDHN COc1cc(CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001568480564 1160656835 /nfs/dbraw/zinc/65/68/35/1160656835.db2.gz LKZXFPGCMOAWLW-CHWSQXEVSA-N 0 3 322.365 0.646 20 5 DCBDHN CC(=O)NCC(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001569177919 1160965375 /nfs/dbraw/zinc/96/53/75/1160965375.db2.gz YSDCLOPZCJQUAL-UHFFFAOYSA-N 0 3 322.365 0.669 20 5 DCBDHN C[C@]1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CNCCO1 ZINC001576510355 1164371117 /nfs/dbraw/zinc/37/11/17/1164371117.db2.gz VNFWSZXRUVDGIH-CQSZACIVSA-N 0 3 311.313 0.771 20 5 DCBDHN CC(C)[N@H+](C)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589678629 1166673872 /nfs/dbraw/zinc/67/38/72/1166673872.db2.gz JTPZQCPERUROPA-UHFFFAOYSA-N 0 3 306.330 0.922 20 5 DCBDHN CC(C)[N@@H+](C)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589678629 1166673887 /nfs/dbraw/zinc/67/38/87/1166673887.db2.gz JTPZQCPERUROPA-UHFFFAOYSA-N 0 3 306.330 0.922 20 5 DCBDHN CC(C)[N@H+](C)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589678629 1166673889 /nfs/dbraw/zinc/67/38/89/1166673889.db2.gz JTPZQCPERUROPA-UHFFFAOYSA-N 0 3 306.330 0.922 20 5 DCBDHN CC(C)[N@@H+](C)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589678629 1166673896 /nfs/dbraw/zinc/67/38/96/1166673896.db2.gz JTPZQCPERUROPA-UHFFFAOYSA-N 0 3 306.330 0.922 20 5 DCBDHN CN(CC1CN(C)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591168618 1167124594 /nfs/dbraw/zinc/12/45/94/1167124594.db2.gz RQCMFVDSGGCSGT-UHFFFAOYSA-N 0 3 303.326 0.773 20 5 DCBDHN COC[C@@](C)([NH3+])CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591370047 1167240941 /nfs/dbraw/zinc/24/09/41/1167240941.db2.gz ISNYRQBXRUHUTJ-LBPRGKRZSA-N 0 3 307.314 0.551 20 5 DCBDHN COC[C@@](C)([NH3+])CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591370047 1167240951 /nfs/dbraw/zinc/24/09/51/1167240951.db2.gz ISNYRQBXRUHUTJ-LBPRGKRZSA-N 0 3 307.314 0.551 20 5 DCBDHN CC[C@H](C)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001654461524 1173805401 /nfs/dbraw/zinc/80/54/01/1173805401.db2.gz NXTXVBWWVVGGBE-GXTWGEPZSA-N 0 3 311.386 0.568 20 5 DCBDHN COc1ccnc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001754118799 1188748665 /nfs/dbraw/zinc/74/86/65/1188748665.db2.gz DSTDSGHPWHRUST-GWSUEFFPSA-N 0 3 320.349 0.517 20 5 DCBDHN Cc1nnsc1CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001754119541 1188749706 /nfs/dbraw/zinc/74/97/06/1188749706.db2.gz MLOCWHXTFFLEIC-HLKOZVMDSA-N 0 3 311.367 0.274 20 5 DCBDHN CNC(=O)NCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126688693 749606294 /nfs/dbraw/zinc/60/62/94/749606294.db2.gz KWDFYFNBSHIGAV-UHFFFAOYSA-N 0 3 323.353 0.120 20 5 DCBDHN O=C(NCCNCc1ccn(C2CCCC2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932048 750142743 /nfs/dbraw/zinc/14/27/43/750142743.db2.gz GFTWREOSZAYXRX-ZIAGYGMSSA-N 0 3 321.381 0.869 20 5 DCBDHN O=C(Cn1nccn1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001128269668 753499097 /nfs/dbraw/zinc/49/90/97/753499097.db2.gz PAMYZZWSUDNVTA-UHFFFAOYSA-N 0 3 304.310 0.092 20 5 DCBDHN Cc1conc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086084493 759694993 /nfs/dbraw/zinc/69/49/93/759694993.db2.gz SZHFDIYWKZHBPR-LSCVPOLPSA-N 0 3 308.338 0.633 20 5 DCBDHN Cc1cc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001086363300 760101459 /nfs/dbraw/zinc/10/14/59/760101459.db2.gz MYBJVXFSPNDLHY-FPQZTECRSA-N 0 3 308.338 0.633 20 5 DCBDHN CN(c1ncc([N+](=O)[O-])c2ccccc21)S(=O)(=O)CCN ZINC001156237111 760524825 /nfs/dbraw/zinc/52/48/25/760524825.db2.gz XAOAJBNHZDZUEI-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN O=C(Cc1ncc[nH]1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001135756212 766082515 /nfs/dbraw/zinc/08/25/15/766082515.db2.gz XKFJMNXPTNNEKV-UHFFFAOYSA-N 0 3 303.322 0.766 20 5 DCBDHN CCCN(C)CC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001093787990 768726384 /nfs/dbraw/zinc/72/63/84/768726384.db2.gz QOCYBLQYZCSIRM-UHFFFAOYSA-N 0 3 311.342 0.565 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)cc2occc([O-])c1-2 ZINC001233826315 769464259 /nfs/dbraw/zinc/46/42/59/769464259.db2.gz CGGLGFHTBYJOJY-LLVKDONJSA-O 0 3 322.337 0.813 20 5 DCBDHN NC(=O)C[C@H](N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172907245 769514472 /nfs/dbraw/zinc/51/44/72/769514472.db2.gz RLJOZKOBDWLOJG-AAEUAGOBSA-N 0 3 320.349 0.161 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cccnc1 ZINC001154175713 770101967 /nfs/dbraw/zinc/10/19/67/770101967.db2.gz XRWPBIVAXHMAMC-UHFFFAOYSA-N 0 3 318.337 0.633 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccoc1 ZINC001154588098 770227411 /nfs/dbraw/zinc/22/74/11/770227411.db2.gz FLNYRSLRCILVLW-UHFFFAOYSA-N 0 3 307.310 0.831 20 5 DCBDHN COc1cc(NCc2nnn3c2CNCCC3)ncc1[N+](=O)[O-] ZINC001155393446 770489003 /nfs/dbraw/zinc/48/90/03/770489003.db2.gz AFBWUOKBFXFEFJ-UHFFFAOYSA-N 0 3 319.325 0.695 20 5 DCBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC(N[C@H]2CCOC2)C1 ZINC001179008137 770927521 /nfs/dbraw/zinc/92/75/21/770927521.db2.gz HFEDOXCDRLWRMZ-JTQLQIEISA-N 0 3 309.297 0.937 20 5 DCBDHN CCN(C)[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001181839735 771357431 /nfs/dbraw/zinc/35/74/31/771357431.db2.gz OOEWTBHZCXJXGE-NSHDSACASA-N 0 3 308.338 0.309 20 5 DCBDHN Cn1cc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)nn1 ZINC001157454875 771612825 /nfs/dbraw/zinc/61/28/25/771612825.db2.gz WABVONSLHVQDGT-UHFFFAOYSA-N 0 3 324.366 0.695 20 5 DCBDHN CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])c(N)n2)CCNC1 ZINC001159453155 771912618 /nfs/dbraw/zinc/91/26/18/771912618.db2.gz RZNBWVLAIHXQIL-UHFFFAOYSA-N 0 3 307.310 0.794 20 5 DCBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C2CNC2)S(C)(=O)=O)n1 ZINC001166968809 772892802 /nfs/dbraw/zinc/89/28/02/772892802.db2.gz LVCBTIKJSRDIBA-UHFFFAOYSA-N 0 3 300.340 0.344 20 5 DCBDHN CS(=O)(=O)N(c1ncnc2cccc([N+](=O)[O-])c21)C1CNC1 ZINC001166972807 772894941 /nfs/dbraw/zinc/89/49/41/772894941.db2.gz ZEIQBBNAOCOFRD-UHFFFAOYSA-N 0 3 323.334 0.276 20 5 DCBDHN Cc1nonc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001153561473 774822389 /nfs/dbraw/zinc/82/23/89/774822389.db2.gz SNLYEVUAUWZQGF-UHFFFAOYSA-N 0 3 305.294 0.806 20 5 DCBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@H]2CNCCO2)n1 ZINC001248351486 945598917 /nfs/dbraw/zinc/59/89/17/945598917.db2.gz CJAZKNMTZISASX-QMMMGPOBSA-N 0 3 309.257 0.710 20 5 DCBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CCN(C)C(C)(C)C2)n1 ZINC001321182443 946202371 /nfs/dbraw/zinc/20/23/71/946202371.db2.gz ZJAXOCVHCQBKLO-UHFFFAOYSA-N 0 3 324.385 0.084 20 5 DCBDHN Cc1n[nH]c(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC001328828104 949121438 /nfs/dbraw/zinc/12/14/38/949121438.db2.gz QNPAXPCYIUCBKN-NSHDSACASA-N 0 3 323.353 0.609 20 5 DCBDHN Cc1nc(N2CN(CCN(C)C)C(=O)[C@@H]2C)ncc1[N+](=O)[O-] ZINC001329255305 949468955 /nfs/dbraw/zinc/46/89/55/949468955.db2.gz YAJZOKQUKAXXPD-JTQLQIEISA-N 0 3 308.342 0.249 20 5 DCBDHN CN(CC(C)(C)CNCc1ncccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001329292455 949484933 /nfs/dbraw/zinc/48/49/33/949484933.db2.gz NFKJYJVSJFYTCT-VXGBXAGGSA-N 0 3 321.381 0.716 20 5 DCBDHN Cn1nccc1CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001266135614 950409045 /nfs/dbraw/zinc/40/90/45/950409045.db2.gz QTVPLPZZQONCDY-ZIAGYGMSSA-N 0 3 321.381 0.556 20 5 DCBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001344846661 953543189 /nfs/dbraw/zinc/54/31/89/953543189.db2.gz OIPUKANJIXDWAD-DCAQKATOSA-N 0 3 308.338 0.354 20 5 DCBDHN C[C@H](NC(=O)C(=O)N(C)CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC001352805535 955773703 /nfs/dbraw/zinc/77/37/03/955773703.db2.gz YSDVUZXWRRKQAL-NSHDSACASA-N 0 3 322.365 0.792 20 5 DCBDHN CS(=O)(=O)CCOCCNCc1cccc([N+](=O)[O-])c1 ZINC001474010671 1016995877 /nfs/dbraw/zinc/99/58/77/1016995877.db2.gz URENZHCQNDHVMV-UHFFFAOYSA-N 0 3 302.352 0.746 20 5 DCBDHN NC(=O)c1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001559909552 1012436800 /nfs/dbraw/zinc/43/68/00/1012436800.db2.gz IVXNAIUUCHSPDG-OLZOCXBDSA-N 0 3 323.349 0.571 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3ncccn3)C2)c1 ZINC001460853418 1012982157 /nfs/dbraw/zinc/98/21/57/1012982157.db2.gz BXIFZVKUQZQIIY-YPMHNXCESA-N 0 3 318.337 0.432 20 5 DCBDHN C[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000567122362 291338531 /nfs/dbraw/zinc/33/85/31/291338531.db2.gz FJOGDYHLPALNNW-BPNCWPANSA-N 0 3 307.350 0.832 20 5 DCBDHN CNc1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000574517160 291699616 /nfs/dbraw/zinc/69/96/16/291699616.db2.gz VNEKPVZXTMWLEZ-LLVKDONJSA-N 0 3 307.354 0.351 20 5 DCBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346179328 254019573 /nfs/dbraw/zinc/01/95/73/254019573.db2.gz BBOIXLXUNKYSGU-OUCADQQQSA-N 0 3 321.381 0.980 20 5 DCBDHN C[C@H](CN(C)C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346222619 254024790 /nfs/dbraw/zinc/02/47/90/254024790.db2.gz LYWGLFPVBTUANX-MNOVXSKESA-N 0 3 322.365 0.779 20 5 DCBDHN CN(C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118094163 395858841 /nfs/dbraw/zinc/85/88/41/395858841.db2.gz YRUZBWFCNZNOSQ-UHFFFAOYSA-N 0 3 314.729 0.865 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCCCN1CCN(C)CC1 ZINC000117284944 395851286 /nfs/dbraw/zinc/85/12/86/395851286.db2.gz RZPXELLZCMVNRL-UHFFFAOYSA-N 0 3 309.370 0.301 20 5 DCBDHN O=C(CNC1CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238158967 395922553 /nfs/dbraw/zinc/92/25/53/395922553.db2.gz XPIBHLOUURRWBR-LLVKDONJSA-N 0 3 305.338 0.755 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](N)c1ccccc1 ZINC000152086867 396000438 /nfs/dbraw/zinc/00/04/38/396000438.db2.gz KJDQTHDOSSBYDV-LBPRGKRZSA-N 0 3 303.322 0.916 20 5 DCBDHN N[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000261686559 396056302 /nfs/dbraw/zinc/05/63/02/396056302.db2.gz ITQCKGSRSPKVCO-QWHCGFSZSA-N 0 3 315.333 0.745 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCCN1C1CC1 ZINC000277432230 396067423 /nfs/dbraw/zinc/06/74/23/396067423.db2.gz DUBIRMBQFIKHAQ-LBPRGKRZSA-N 0 3 307.354 0.924 20 5 DCBDHN COCCN(C)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000276576024 396011683 /nfs/dbraw/zinc/01/16/83/396011683.db2.gz NVHKBWCHUYNRHM-UHFFFAOYSA-N 0 3 312.326 0.767 20 5 DCBDHN O=C(CCN1C[C@H](O)[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000278963603 396143737 /nfs/dbraw/zinc/14/37/37/396143737.db2.gz ZTKLCQSRLHFYPX-RYUDHWBXSA-N 0 3 313.285 0.100 20 5 DCBDHN O=C1[N-]C(=O)C2(CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000263993890 396248035 /nfs/dbraw/zinc/24/80/35/396248035.db2.gz WQRAHLHNBUXFPK-UHFFFAOYSA-N 0 3 318.333 0.811 20 5 DCBDHN O=C1NC(=O)C2(CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000263993890 396248036 /nfs/dbraw/zinc/24/80/36/396248036.db2.gz WQRAHLHNBUXFPK-UHFFFAOYSA-N 0 3 318.333 0.811 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000080959275 396289751 /nfs/dbraw/zinc/28/97/51/396289751.db2.gz GIWUYIDPHPDPNI-YPMHNXCESA-N 0 3 320.353 0.755 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000285836305 396356770 /nfs/dbraw/zinc/35/67/70/396356770.db2.gz GDDWDLMGMWUKAW-NSHDSACASA-N 0 3 323.353 0.502 20 5 DCBDHN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@@H]1CNCCO1 ZINC000594698010 396498069 /nfs/dbraw/zinc/49/80/69/396498069.db2.gz HHKGBQNDMVIWHB-ZDUSSCGKSA-N 0 3 316.317 0.807 20 5 DCBDHN N[C@H]1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000594738101 396503690 /nfs/dbraw/zinc/50/36/90/396503690.db2.gz HADMJSUURDLGDB-YPMHNXCESA-N 0 3 324.768 0.992 20 5 DCBDHN CN(C[C@@H]1CCCN(C)C1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290721753 396470901 /nfs/dbraw/zinc/47/09/01/396470901.db2.gz ZAKSUSSRDSSNPP-SNVBAGLBSA-N 0 3 307.354 0.867 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290850018 396474316 /nfs/dbraw/zinc/47/43/16/396474316.db2.gz XGAVCUAJHIZCFB-KWQFWETISA-N 0 3 305.338 0.983 20 5 DCBDHN N[C@H]1C[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CCN2C1=O ZINC000579979063 396482984 /nfs/dbraw/zinc/48/29/84/396482984.db2.gz OOZLJYXCDBJRBZ-IUCAKERBSA-N 0 3 310.335 0.040 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc2c1CNC2 ZINC000595926283 396683835 /nfs/dbraw/zinc/68/38/35/396683835.db2.gz HNTSEMJDBFTPPY-UHFFFAOYSA-N 0 3 301.306 0.825 20 5 DCBDHN Nc1ccc(N2CCN(C[C@@H]3CCOC3)CC2)nc1[N+](=O)[O-] ZINC000590584847 396803754 /nfs/dbraw/zinc/80/37/54/396803754.db2.gz OCWYCABMDVUKAJ-NSHDSACASA-N 0 3 307.354 0.731 20 5 DCBDHN COc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000570955407 396940917 /nfs/dbraw/zinc/94/09/17/396940917.db2.gz MHDIFJCHVOVJTJ-GFCCVEGCSA-N 0 3 307.310 0.346 20 5 DCBDHN Nc1nc(N)nc(NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000599047417 397327939 /nfs/dbraw/zinc/32/79/39/397327939.db2.gz WDOPUZHUIONZMX-UHFFFAOYSA-N 0 3 303.326 0.462 20 5 DCBDHN CCN1CCN([C@H]2CCN(Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602464912 397409133 /nfs/dbraw/zinc/40/91/33/397409133.db2.gz OCBUMVRYNLSQLM-AWEZNQCLSA-N 0 3 322.413 0.540 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594197253 397512105 /nfs/dbraw/zinc/51/21/05/397512105.db2.gz BLGXCFLSJAXGHI-GHMZBOCLSA-N 0 3 308.342 0.319 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599939267 397545965 /nfs/dbraw/zinc/54/59/65/397545965.db2.gz UQVDETFDWKDDJY-PWSUYJOCSA-N 0 3 308.338 0.214 20 5 DCBDHN C[C@H](NC(=O)N1CCN(C)C[C@@H]1CN)c1ccc([N+](=O)[O-])cc1 ZINC000579935779 397598561 /nfs/dbraw/zinc/59/85/61/397598561.db2.gz ZAXYERBTWXKAPI-FZMZJTMJSA-N 0 3 321.381 0.940 20 5 DCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(CC2CC2)C1 ZINC000609383576 397773140 /nfs/dbraw/zinc/77/31/40/397773140.db2.gz VKTOACGGZIBQGV-LBPRGKRZSA-N 0 3 307.354 0.782 20 5 DCBDHN CC[C@H](CN1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000609833214 397793332 /nfs/dbraw/zinc/79/33/32/397793332.db2.gz BFJLYHWWKAJVIO-GFCCVEGCSA-N 0 3 322.365 0.747 20 5 DCBDHN O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@]1(F)CCNC1 ZINC000169193368 158373713 /nfs/dbraw/zinc/37/37/13/158373713.db2.gz VXORHFVHXOVXPA-QMTHXVAHSA-N 0 3 323.328 0.704 20 5 DCBDHN CCOC[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122267408 415830108 /nfs/dbraw/zinc/83/01/08/415830108.db2.gz FMPJSDJCFHMIDB-AAEUAGOBSA-N 0 3 310.354 0.873 20 5 DCBDHN CC(C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000121944798 415821664 /nfs/dbraw/zinc/82/16/64/415821664.db2.gz LXPZXFBQMKZTPK-LLVKDONJSA-N 0 3 324.385 0.320 20 5 DCBDHN CC(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000121944798 415821669 /nfs/dbraw/zinc/82/16/69/415821669.db2.gz LXPZXFBQMKZTPK-LLVKDONJSA-N 0 3 324.385 0.320 20 5 DCBDHN CCN(C)C(=O)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000296131318 415907679 /nfs/dbraw/zinc/90/76/79/415907679.db2.gz GBGYXVVWOWFOKQ-AWEZNQCLSA-N 0 3 324.381 0.849 20 5 DCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000151604290 415965494 /nfs/dbraw/zinc/96/54/94/415965494.db2.gz QUBMIYIUVLVVDU-CYBMUJFWSA-N 0 3 319.365 0.733 20 5 DCBDHN Cc1c(NC(=O)C(=O)NC[C@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000298599360 416017389 /nfs/dbraw/zinc/01/73/89/416017389.db2.gz LRBIKUCXWUAEBJ-VIFPVBQESA-N 0 3 308.338 0.908 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN3CCCC[C@@H]3C2)c1 ZINC000177774820 416152003 /nfs/dbraw/zinc/15/20/03/416152003.db2.gz GJXIXYZNWXHJFI-TZMCWYRMSA-N 0 3 309.370 0.322 20 5 DCBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(CO)CCOCC1 ZINC000345993956 416182114 /nfs/dbraw/zinc/18/21/14/416182114.db2.gz LGZDOQUWYJNIDQ-UHFFFAOYSA-N 0 3 323.349 0.973 20 5 DCBDHN COCCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000179378912 416187392 /nfs/dbraw/zinc/18/73/92/416187392.db2.gz XLGUFRSHBOVTLI-UHFFFAOYSA-N 0 3 317.367 0.418 20 5 DCBDHN CN(C)CCOCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000359207247 416313531 /nfs/dbraw/zinc/31/35/31/416313531.db2.gz BZCTWFQRYMFBNF-UHFFFAOYSA-N 0 3 305.338 1.528 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000415443165 416343497 /nfs/dbraw/zinc/34/34/97/416343497.db2.gz BYOPQYMVSZWVRG-LBPRGKRZSA-N 0 3 306.322 0.695 20 5 DCBDHN CN1CC[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000416496115 416372485 /nfs/dbraw/zinc/37/24/85/416372485.db2.gz NVESDHZHPGRSBB-GFCCVEGCSA-N 0 3 313.379 0.966 20 5 DCBDHN Cn1ccnc1[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068894 416535794 /nfs/dbraw/zinc/53/57/94/416535794.db2.gz PZSHCYJOAORYQQ-DGCLKSJQSA-N 0 3 320.353 0.375 20 5 DCBDHN CC(=O)NCCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517234126 416789525 /nfs/dbraw/zinc/78/95/25/416789525.db2.gz UZIRMEGLCKULHN-UHFFFAOYSA-N 0 3 308.338 0.991 20 5 DCBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000518772045 416876067 /nfs/dbraw/zinc/87/60/67/416876067.db2.gz LJFJDVXTRKHOAY-UHFFFAOYSA-N 0 3 323.397 0.691 20 5 DCBDHN O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCC[NH+]1CCCC1 ZINC000525184615 417127021 /nfs/dbraw/zinc/12/70/21/417127021.db2.gz OCFRIXCGPMSLHR-UHFFFAOYSA-N 0 3 314.367 0.754 20 5 DCBDHN Nc1c(C(=O)NC[C@@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000452373302 417477582 /nfs/dbraw/zinc/47/75/82/417477582.db2.gz VNHBLEIWJZMNHQ-NSHDSACASA-N 0 3 322.365 0.754 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578950036 417688556 /nfs/dbraw/zinc/68/85/56/417688556.db2.gz PPQQGCBFIGTJPB-KWQFWETISA-N 0 3 305.338 0.785 20 5 DCBDHN COc1cc(CCNC(=O)[C@@H]2C[C@@H]2N)c([N+](=O)[O-])cc1OC ZINC000424062372 271396770 /nfs/dbraw/zinc/39/67/70/271396770.db2.gz KUPOHWQFFZKDLA-ZJUUUORDSA-N 0 3 309.322 0.618 20 5 DCBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000449754307 271861803 /nfs/dbraw/zinc/86/18/03/271861803.db2.gz QIIPZAVFDZZARI-PHIMTYICSA-N 0 3 310.306 0.760 20 5 DCBDHN O=C(NC[C@H]1CNCCO1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000564201113 288729440 /nfs/dbraw/zinc/72/94/40/288729440.db2.gz AGTBHLUYQAJENM-SNVBAGLBSA-N 0 3 323.305 0.084 20 5 DCBDHN Cc1n[n-]c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266219794 525465380 /nfs/dbraw/zinc/46/53/80/525465380.db2.gz LKNZGNDRFHIOFM-NSHDSACASA-N 0 3 323.353 0.421 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@H]([NH3+])C1 ZINC000479785281 536957280 /nfs/dbraw/zinc/95/72/80/536957280.db2.gz ZUSHPSVXRRIWEV-ZKCHVHJHSA-N 0 3 301.324 0.371 20 5 DCBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H]2CCCS2(=O)=O)cc1 ZINC000158667483 658546219 /nfs/dbraw/zinc/54/62/19/658546219.db2.gz MWIPTGBWSJFMAL-QWHCGFSZSA-N 0 3 314.363 0.795 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)C(F)F)C1 ZINC000982958684 661728726 /nfs/dbraw/zinc/72/87/26/661728726.db2.gz SBIBZMQNRZTKQE-ZKCHVHJHSA-N 0 3 317.296 0.578 20 5 DCBDHN C[C@H](C(=O)NCCN(C)CCO)c1ccc([N+](=O)[O-])cc1F ZINC000899738188 663185151 /nfs/dbraw/zinc/18/51/51/663185151.db2.gz WJWWEOOBOZYUFE-JTQLQIEISA-N 0 3 313.329 0.878 20 5 DCBDHN Cc1nn(CN2CC[C@@H]3[C@@H]2CCCN3CCO)c(C)c1[N+](=O)[O-] ZINC000902645717 663425684 /nfs/dbraw/zinc/42/56/84/663425684.db2.gz YGWKIYSEGOOQDL-UONOGXRCSA-N 0 3 323.397 0.897 20 5 DCBDHN CN(CCO)CCN(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000912600589 664188872 /nfs/dbraw/zinc/18/88/72/664188872.db2.gz YNDNMQGBDVEMPV-UHFFFAOYSA-N 0 3 313.329 0.659 20 5 DCBDHN O=[N+]([O-])c1cc(CO)c(N2CCCN(CCO)CC2)cc1F ZINC000865510619 667329162 /nfs/dbraw/zinc/32/91/62/667329162.db2.gz NOLFKIMHFYVFFF-UHFFFAOYSA-N 0 3 313.329 0.731 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CO)C2CC2)cc1 ZINC000771806904 668752487 /nfs/dbraw/zinc/75/24/87/668752487.db2.gz JOLHHHPAMSEMMP-CYBMUJFWSA-N 0 3 314.363 0.729 20 5 DCBDHN CN1CCN(C)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000933991455 669559072 /nfs/dbraw/zinc/55/90/72/669559072.db2.gz ASNQWFJXRXVIEI-INIZCTEOSA-N 0 3 322.409 0.807 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@H]2CSCCN2)n1 ZINC000843222279 672071671 /nfs/dbraw/zinc/07/16/71/672071671.db2.gz FSZFEFQFIMHFSK-ZETCQYMHSA-N 0 3 310.339 0.626 20 5 DCBDHN Cc1nn(CN2CCN(CCN(C)C)C(=O)C2)c(C)c1[N+](=O)[O-] ZINC000844715202 672196445 /nfs/dbraw/zinc/19/64/45/672196445.db2.gz WAAYNNWYFJQMHS-UHFFFAOYSA-N 0 3 324.385 0.071 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001304661882 1159155277 /nfs/dbraw/zinc/15/52/77/1159155277.db2.gz PHSNCWODUNSHFM-QWHCGFSZSA-N 0 3 308.338 0.594 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566330761 1159972150 /nfs/dbraw/zinc/97/21/50/1159972150.db2.gz OFUWHKYETCKTRH-KCJUWKMLSA-N 0 3 305.338 0.785 20 5 DCBDHN CCOc1ccc(C(=O)N[C@H]2COC3(CNC3)C2)cc1[N+](=O)[O-] ZINC001578171506 1164943395 /nfs/dbraw/zinc/94/33/95/1164943395.db2.gz KJCAGODCBAYVEE-LLVKDONJSA-N 0 3 321.333 0.854 20 5 DCBDHN Cc1n[nH]c(C(=O)NC2(c3ccccc3)CNC2)c1[N+](=O)[O-] ZINC001579514015 1165335674 /nfs/dbraw/zinc/33/56/74/1165335674.db2.gz DIWGTSXUNKDTFP-UHFFFAOYSA-N 0 3 301.306 0.855 20 5 DCBDHN CC(C)(C(=O)N1CC(N[C@@H]2CCOC2)C1)n1cc([N+](=O)[O-])cn1 ZINC001652690748 1173775375 /nfs/dbraw/zinc/77/53/75/1173775375.db2.gz MCWMEOKWGONYFY-SNVBAGLBSA-N 0 3 323.353 0.116 20 5 DCBDHN CC1(C)CNC(=O)[C@@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001654676947 1173809660 /nfs/dbraw/zinc/80/96/60/1173809660.db2.gz SLHMJNWNISXHAN-MFKMUULPSA-N 0 3 323.349 0.449 20 5 DCBDHN COCC[C@@H](CO)NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001656148751 1173846088 /nfs/dbraw/zinc/84/60/88/1173846088.db2.gz HFWOLQCMLVSWNP-JTQLQIEISA-N 0 3 300.311 0.796 20 5 DCBDHN C[C@@H](Cn1cncn1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001660656132 1174030657 /nfs/dbraw/zinc/03/06/57/1174030657.db2.gz ABNJDWJDBAHEAM-ZLKJLUDKSA-N 0 3 321.337 0.259 20 5 DCBDHN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nccn1C ZINC001714821209 1181560810 /nfs/dbraw/zinc/56/08/10/1181560810.db2.gz DTWTZDNKZCAWFU-CHWSQXEVSA-N 0 3 323.397 0.802 20 5 DCBDHN CCc1nocc1CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732850348 1186012392 /nfs/dbraw/zinc/01/23/92/1186012392.db2.gz VIYHILALAGGBKB-NAGRZINJSA-N 0 3 308.338 0.664 20 5 DCBDHN CN(CCNCc1ncc(Cl)n1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001753188467 1188528787 /nfs/dbraw/zinc/52/87/87/1188528787.db2.gz VAWOFCPRVVGWIE-RKDXNWHRSA-N 0 3 315.761 0.287 20 5 DCBDHN Cc1nccnc1CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001754119142 1188748338 /nfs/dbraw/zinc/74/83/38/1188748338.db2.gz HYRZHSWIBQDIQP-FTYDKLPRSA-N 0 3 305.338 0.212 20 5 DCBDHN CNC(=O)CCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126012355 748184889 /nfs/dbraw/zinc/18/48/89/748184889.db2.gz ZQKVAOVMYAXFKB-UHFFFAOYSA-N 0 3 322.365 0.717 20 5 DCBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N(C)S(=O)(=O)CCN)n1 ZINC001156231686 760498479 /nfs/dbraw/zinc/49/84/79/760498479.db2.gz MXSIBPYMVSNTNP-UHFFFAOYSA-N 0 3 309.735 0.071 20 5 DCBDHN C[C@@H](N)c1ccn(-c2ncnc(N3CCOCC3)c2[N+](=O)[O-])n1 ZINC001169230407 760607587 /nfs/dbraw/zinc/60/75/87/760607587.db2.gz REUFCOCRPJAHPR-SECBINFHSA-N 0 3 319.325 0.427 20 5 DCBDHN Cn1cc(Cl)c(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157767731 771666735 /nfs/dbraw/zinc/66/67/35/771666735.db2.gz SFKOVAFJMXKSQN-LDYMZIIASA-N 0 3 315.761 0.335 20 5 DCBDHN NCc1cc(-c2ccncc2)nn1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001160338326 772026654 /nfs/dbraw/zinc/02/66/54/772026654.db2.gz WZOVJJYYCDKHLQ-UHFFFAOYSA-N 0 3 312.289 0.935 20 5 DCBDHN CN(c1ccnc2c1cccc2[N+](=O)[O-])S(=O)(=O)CCN ZINC001164297103 772640452 /nfs/dbraw/zinc/64/04/52/772640452.db2.gz KFHDJMKILTVBPO-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN O=C(NCCC1(CNCc2ncccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164490363 772667693 /nfs/dbraw/zinc/66/76/93/772667693.db2.gz GFUNEEMVSIVBMH-VXGBXAGGSA-N 0 3 319.365 0.518 20 5 DCBDHN CN1CCCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001223646812 775507972 /nfs/dbraw/zinc/50/79/72/775507972.db2.gz NITBFEWXAGXIMJ-LLVKDONJSA-N 0 3 310.358 0.575 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1-c1nnn[n-]1 ZINC001229952308 776239401 /nfs/dbraw/zinc/23/94/01/776239401.db2.gz AMHIHOUYIDNMFN-SNVBAGLBSA-N 0 3 306.346 0.229 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1-c1nn[n-]n1 ZINC001229952308 776239403 /nfs/dbraw/zinc/23/94/03/776239403.db2.gz AMHIHOUYIDNMFN-SNVBAGLBSA-N 0 3 306.346 0.229 20 5 DCBDHN CCc1cnc(CNCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001322505578 946702963 /nfs/dbraw/zinc/70/29/63/946702963.db2.gz NECMTCZESAUDJC-VXGBXAGGSA-N 0 3 310.354 0.840 20 5 DCBDHN Cc1nn(C)c(C(=O)Nc2cnc3c(c2)CNCC3)c1[N+](=O)[O-] ZINC001326307353 948125795 /nfs/dbraw/zinc/12/57/95/948125795.db2.gz YNTSBHCROWSUIP-UHFFFAOYSA-N 0 3 316.321 0.930 20 5 DCBDHN CN1CCNC[C@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001343322941 953337576 /nfs/dbraw/zinc/33/75/76/953337576.db2.gz ONYDUADAAVXPFN-ZDUSSCGKSA-N 0 3 306.366 0.850 20 5 DCBDHN CC(COC(=O)c1cc(=O)n(C)cc1Br)[N+](=O)[O-] ZINC001343650319 953361593 /nfs/dbraw/zinc/36/15/93/953361593.db2.gz MTNMXJPTWWTFGM-LURJTMIESA-N 0 3 319.111 0.970 20 5 DCBDHN C[C@H](CNC(=O)[C@@H]1CNCCN1C)c1ccccc1[N+](=O)[O-] ZINC001355316825 956633181 /nfs/dbraw/zinc/63/31/81/956633181.db2.gz SFBGVSFTCKTQFG-RISCZKNCSA-N 0 3 306.366 0.718 20 5 DCBDHN Cn1cc([N+](=O)[O-])c(N2CCC(N3CCN(C)CC3)CC2)n1 ZINC001472857461 1016861802 /nfs/dbraw/zinc/86/18/02/1016861802.db2.gz JOHPFFHWFJPQLT-UHFFFAOYSA-N 0 3 308.386 0.545 20 5 DCBDHN CN(CCNC(=O)c1csc([N+](=O)[O-])c1)CCOCCO ZINC001455177469 1009554043 /nfs/dbraw/zinc/55/40/43/1009554043.db2.gz LKAKNEZXTZTBJP-UHFFFAOYSA-N 0 3 317.367 0.327 20 5 DCBDHN CN(CCO)CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001455778290 1009964403 /nfs/dbraw/zinc/96/44/03/1009964403.db2.gz CXSOYKAMJNVZEZ-UHFFFAOYSA-N 0 3 315.757 0.831 20 5 DCBDHN O=[N+]([O-])c1c(N2CC(N[C@@H]3CCOC3)C2)nc2sccn21 ZINC001559290624 1012415728 /nfs/dbraw/zinc/41/57/28/1012415728.db2.gz VZKBFMFYYYUCMD-MRVPVSSYSA-N 0 3 309.351 0.871 20 5 DCBDHN CN(CC1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000318551377 529865490 /nfs/dbraw/zinc/86/54/90/529865490.db2.gz YDUZOWFXGNTBIR-UHFFFAOYSA-N 0 3 307.354 0.986 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN[C@H](C)C1 ZINC000420329952 240024056 /nfs/dbraw/zinc/02/40/56/240024056.db2.gz ASSQKWXTPHIKNX-SNVBAGLBSA-N 0 3 308.338 0.836 20 5 DCBDHN CS[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271769968 209198927 /nfs/dbraw/zinc/19/89/27/209198927.db2.gz IMMOUIITIGCPAA-WCBMZHEXSA-N 0 3 313.383 0.446 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H]1COCCO1 ZINC000562988994 288613596 /nfs/dbraw/zinc/61/35/96/288613596.db2.gz VGYCNXHRTMDZAY-NEPJUHHUSA-N 0 3 312.322 0.340 20 5 DCBDHN CCN1CC[C@H]2OCCN(Cc3c([N+](=O)[O-])ncn3C)[C@@H]2C1 ZINC000339385213 253076393 /nfs/dbraw/zinc/07/63/93/253076393.db2.gz NKFXJIPSDLQUPQ-DGCLKSJQSA-N 0 3 309.370 0.623 20 5 DCBDHN COc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000272990500 210371980 /nfs/dbraw/zinc/37/19/80/210371980.db2.gz WCYUVGPFVPUZKL-SECBINFHSA-N 0 3 324.337 0.608 20 5 DCBDHN CN(C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000349077603 254272037 /nfs/dbraw/zinc/27/20/37/254272037.db2.gz FTASWXZSJGAFAC-SNVBAGLBSA-N 0 3 324.337 0.470 20 5 DCBDHN C[C@H]1CCNC(=O)[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193586922 395773231 /nfs/dbraw/zinc/77/32/31/395773231.db2.gz ABPJABGSZBUFGF-MJVIPROJSA-N 0 3 323.349 0.449 20 5 DCBDHN Cc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000154769696 396042472 /nfs/dbraw/zinc/04/24/72/396042472.db2.gz PVZOUQNGVDWBQB-UHFFFAOYSA-N 0 3 308.338 0.862 20 5 DCBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277000105 396043193 /nfs/dbraw/zinc/04/31/93/396043193.db2.gz CXSFFEQPOUSPKM-UHFFFAOYSA-N 0 3 311.338 0.647 20 5 DCBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1c([N+](=O)[O-])ncn1C ZINC000263689222 396222919 /nfs/dbraw/zinc/22/29/19/396222919.db2.gz JQEKCYFECBVWHV-NSHDSACASA-N 0 3 324.385 0.683 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000594875973 396533436 /nfs/dbraw/zinc/53/34/36/396533436.db2.gz UOYIEMLKCYHSCN-BXKDBHETSA-N 0 3 308.313 0.478 20 5 DCBDHN Cc1nn(C)c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000294011992 396648531 /nfs/dbraw/zinc/64/85/31/396648531.db2.gz YFYQVALOZKHPOE-CQSZACIVSA-N 0 3 307.354 0.805 20 5 DCBDHN O=C1CCCN1C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595830169 396668165 /nfs/dbraw/zinc/66/81/65/396668165.db2.gz CUAXIUCFJCFMOD-GFCCVEGCSA-N 0 3 307.354 0.736 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588867044 396697260 /nfs/dbraw/zinc/69/72/60/396697260.db2.gz VPJIMPIACYGVEV-NSHDSACASA-N 0 3 320.349 0.657 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000590554685 396796924 /nfs/dbraw/zinc/79/69/24/396796924.db2.gz ZQVJXBWEXISJNK-RYUDHWBXSA-N 0 3 313.741 0.995 20 5 DCBDHN COc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000316823218 396797351 /nfs/dbraw/zinc/79/73/51/396797351.db2.gz YKEAVUFOAZFRNB-NSHDSACASA-N 0 3 308.338 0.318 20 5 DCBDHN Cn1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000563647118 396765850 /nfs/dbraw/zinc/76/58/50/396765850.db2.gz AKFCVZBIXQEYAU-GFCCVEGCSA-N 0 3 306.322 0.858 20 5 DCBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591686176 396976976 /nfs/dbraw/zinc/97/69/76/396976976.db2.gz OGFBHPRKWAKTEG-YUMQZZPRSA-N 0 3 311.269 0.753 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc2c(c1)CNC2 ZINC000592328496 397154611 /nfs/dbraw/zinc/15/46/11/397154611.db2.gz LVWRCVFKSWIFSV-UHFFFAOYSA-N 0 3 301.306 0.862 20 5 DCBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)C(F)(F)F ZINC000592431364 397175161 /nfs/dbraw/zinc/17/51/61/397175161.db2.gz XPXKADYIAFWSGR-CNUIFLNQSA-N 0 3 312.248 0.054 20 5 DCBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000598185413 397186067 /nfs/dbraw/zinc/18/60/67/397186067.db2.gz JPRSGOXPVIDWMO-UHFFFAOYSA-N 0 3 322.365 0.687 20 5 DCBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000598263122 397200388 /nfs/dbraw/zinc/20/03/88/397200388.db2.gz PPCUOLJJUMPVDQ-NSHDSACASA-N 0 3 310.358 0.423 20 5 DCBDHN CN1CCC[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598587430 397252043 /nfs/dbraw/zinc/25/20/43/397252043.db2.gz AEAIOZZXEFJTMX-LLVKDONJSA-N 0 3 322.369 0.728 20 5 DCBDHN Cc1nc(N2CC(CN3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000599107143 397339239 /nfs/dbraw/zinc/33/92/39/397339239.db2.gz JNXIQQRTCAPTDB-UHFFFAOYSA-N 0 3 305.382 0.982 20 5 DCBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000408380451 160096151 /nfs/dbraw/zinc/09/61/51/160096151.db2.gz ZKAZSZPBPVWQPI-WDEREUQCSA-N 0 3 308.342 0.129 20 5 DCBDHN CN1CC[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000416498972 287238171 /nfs/dbraw/zinc/23/81/71/287238171.db2.gz ZLPUDHXQMLKSFO-NSHDSACASA-N 0 3 313.379 0.966 20 5 DCBDHN COC[C@H](CO)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353620120 415606554 /nfs/dbraw/zinc/60/65/54/415606554.db2.gz ICRPHRFZCGCITJ-JQWIXIFHSA-N 0 3 311.338 0.909 20 5 DCBDHN CC1CCN(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000133580956 415948460 /nfs/dbraw/zinc/94/84/60/415948460.db2.gz GSFUXLDTUIZLFC-UHFFFAOYSA-N 0 3 324.385 0.822 20 5 DCBDHN CCN1CCN(CCCNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000344634892 415963439 /nfs/dbraw/zinc/96/34/39/415963439.db2.gz DJPWBXKPZMHGRR-UHFFFAOYSA-N 0 3 324.385 0.384 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](CN3CCOCC3)C2)n1 ZINC000176263387 416121417 /nfs/dbraw/zinc/12/14/17/416121417.db2.gz URCYLYHQKIJZAL-CYBMUJFWSA-N 0 3 309.370 0.445 20 5 DCBDHN Cc1c(CC(=O)NC[C@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000358053465 416178337 /nfs/dbraw/zinc/17/83/37/416178337.db2.gz IRBUEUGIMRDVNI-OAHLLOKOSA-N 0 3 307.350 0.629 20 5 DCBDHN CC(C)CN1CCO[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000179264906 416185296 /nfs/dbraw/zinc/18/52/96/416185296.db2.gz FXIFMMGYVYUXLB-SNVBAGLBSA-N 0 3 311.342 0.405 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000358073482 416187260 /nfs/dbraw/zinc/18/72/60/416187260.db2.gz CINBCWSNBLWHSH-HNNXBMFYSA-N 0 3 322.365 0.580 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000358080175 416189275 /nfs/dbraw/zinc/18/92/75/416189275.db2.gz ZUEJYHABROMCHN-HNNXBMFYSA-N 0 3 307.350 0.710 20 5 DCBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331460686 416316316 /nfs/dbraw/zinc/31/63/16/416316316.db2.gz YWXFPHCGXVSAEG-MNOVXSKESA-N 0 3 308.342 0.272 20 5 DCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1CNC1 ZINC000415741245 416352943 /nfs/dbraw/zinc/35/29/43/416352943.db2.gz YHVGPNVCYSLAQT-UHFFFAOYSA-N 0 3 306.322 0.526 20 5 DCBDHN C[C@@H]1CCN(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000533038594 416469444 /nfs/dbraw/zinc/46/94/44/416469444.db2.gz UUDSIJWXUKMETG-LLVKDONJSA-N 0 3 308.338 0.215 20 5 DCBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CNCCO1 ZINC000423993332 416602956 /nfs/dbraw/zinc/60/29/56/416602956.db2.gz QKGMOBDKJQKXQB-AWEZNQCLSA-N 0 3 322.365 0.892 20 5 DCBDHN C[NH+]1CCC(n2ccc(NC(=O)c3c[n-]nc3[N+](=O)[O-])n2)CC1 ZINC000555317945 416710677 /nfs/dbraw/zinc/71/06/77/416710677.db2.gz ZXQYLVCGJAWMFB-UHFFFAOYSA-N 0 3 319.325 1.033 20 5 DCBDHN CN1C(=O)NCC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000425547282 416714924 /nfs/dbraw/zinc/71/49/24/416714924.db2.gz VAYOPNWHXLHERM-UHFFFAOYSA-N 0 3 308.342 0.281 20 5 DCBDHN COc1cccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000516938251 416761548 /nfs/dbraw/zinc/76/15/48/416761548.db2.gz MLTDMHXSSFCPLL-ZJUUUORDSA-N 0 3 306.322 0.352 20 5 DCBDHN O=C(CCN1CC[C@H](CO)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000559284125 416807119 /nfs/dbraw/zinc/80/71/19/416807119.db2.gz YJYDUCHAJXTFIQ-RISCZKNCSA-N 0 3 323.349 0.599 20 5 DCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000518230037 416845799 /nfs/dbraw/zinc/84/57/99/416845799.db2.gz PBNIPZZDZCDBGB-HNNXBMFYSA-N 0 3 305.334 0.781 20 5 DCBDHN N[C@H]1C[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069238 416992771 /nfs/dbraw/zinc/99/27/71/416992771.db2.gz CZCKOANKISPCGO-JSGCOSHPSA-N 0 3 320.349 0.217 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CC[S@](=O)C2)c1 ZINC000570675360 417381093 /nfs/dbraw/zinc/38/10/93/417381093.db2.gz IEJWNVKQXJDUNX-ANFZBRINSA-N 0 3 314.363 0.445 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc([O-])c(F)c2)c1 ZINC000575377571 417532069 /nfs/dbraw/zinc/53/20/69/417532069.db2.gz WNXZKUDZSIDLFE-LLVKDONJSA-N 0 3 310.285 0.787 20 5 DCBDHN CNc1nc(C(=O)N2CCO[C@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000455714339 417614807 /nfs/dbraw/zinc/61/48/07/417614807.db2.gz DISMHQAAZZDBMA-SNVBAGLBSA-N 0 3 323.353 0.434 20 5 DCBDHN CC(C)N1CCN([C@@H]2CCN(c3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000531582397 417626829 /nfs/dbraw/zinc/62/68/29/417626829.db2.gz VJELRCKEMQAXKA-CYBMUJFWSA-N 0 3 322.413 0.933 20 5 DCBDHN CC(C)Oc1nc(NC[C@@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000577528954 417678291 /nfs/dbraw/zinc/67/82/91/417678291.db2.gz KZYAIATXZNOOBA-AWEZNQCLSA-N 0 3 310.354 1.256 20 5 DCBDHN Cc1ccc(CNCC2CN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000189713182 261132409 /nfs/dbraw/zinc/13/24/09/261132409.db2.gz MLZDTHYXDSAOPV-UHFFFAOYSA-N 0 3 313.379 0.884 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CCO)CCCO ZINC000273391658 261170167 /nfs/dbraw/zinc/17/01/67/261170167.db2.gz VAOHLCDNMIYIAB-LBPRGKRZSA-N 0 3 314.338 0.011 20 5 DCBDHN CN1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000316675618 261175646 /nfs/dbraw/zinc/17/56/46/261175646.db2.gz HHICIRQNKNRILC-FMFIFOJESA-N 0 3 304.350 0.709 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363223800 262106771 /nfs/dbraw/zinc/10/67/71/262106771.db2.gz JRPRLNYFROGAJJ-RYUDHWBXSA-N 0 3 323.353 0.079 20 5 DCBDHN C[C@H](NC(=O)NC[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000417128775 262246973 /nfs/dbraw/zinc/24/69/73/262246973.db2.gz JGBAZLFDOWGVIX-GWCFXTLKSA-N 0 3 308.338 0.943 20 5 DCBDHN NC[C@@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418919419 262298126 /nfs/dbraw/zinc/29/81/26/262298126.db2.gz FRLNTPDJPARLBT-CYBMUJFWSA-N 0 3 320.349 0.107 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N1CCC[C@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000419121479 262310177 /nfs/dbraw/zinc/31/01/77/262310177.db2.gz ASLBYRQBOWFWIX-MNOVXSKESA-N 0 3 320.349 0.722 20 5 DCBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC000423998074 262476259 /nfs/dbraw/zinc/47/62/59/262476259.db2.gz ZJQIMCWFMNQGLK-LLVKDONJSA-N 0 3 308.338 0.501 20 5 DCBDHN COC(=O)COc1ccc(CN(C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000361007665 271169386 /nfs/dbraw/zinc/16/93/86/271169386.db2.gz AZEWAYKTTRWWBF-SNVBAGLBSA-N 0 3 312.322 0.959 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492557123 272134844 /nfs/dbraw/zinc/13/48/44/272134844.db2.gz BLGQTJSSNOHROD-UYWPIULCSA-N 0 3 323.324 0.930 20 5 DCBDHN CC(COC(=O)CCNC(=O)OCC(F)(F)F)[N+](=O)[O-] ZINC000496467241 272315646 /nfs/dbraw/zinc/31/56/46/272315646.db2.gz FBJDSCQMLFOEQV-LURJTMIESA-N 0 3 302.205 0.873 20 5 DCBDHN COc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1C ZINC000552157677 288267003 /nfs/dbraw/zinc/26/70/03/288267003.db2.gz YCBDQRAPTGGSFG-STQMWFEESA-N 0 3 323.349 0.659 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000584005450 331560945 /nfs/dbraw/zinc/56/09/45/331560945.db2.gz UGMDKURCJYTHJC-RKDXNWHRSA-N 0 3 311.729 0.391 20 5 DCBDHN CO[C@@H]1COC[C@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582664108 337117814 /nfs/dbraw/zinc/11/78/14/337117814.db2.gz ZTFXMVYIYXJUGV-MRVWCRGKSA-N 0 3 312.322 0.338 20 5 DCBDHN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000583744167 337328244 /nfs/dbraw/zinc/32/82/44/337328244.db2.gz PWTOVTXJLXPNKB-LLVKDONJSA-N 0 3 322.365 0.320 20 5 DCBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237318818 523938930 /nfs/dbraw/zinc/93/89/30/523938930.db2.gz DTMVKRUBQPXQLP-UHFFFAOYSA-N 0 3 312.282 0.469 20 5 DCBDHN Cc1n[nH]c(C(=O)NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267157067 525467859 /nfs/dbraw/zinc/46/78/59/525467859.db2.gz YAVNAOPQQPHORZ-GFCCVEGCSA-N 0 3 313.383 0.793 20 5 DCBDHN C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736757707 598500813 /nfs/dbraw/zinc/50/08/13/598500813.db2.gz WYLYIDSDLBNFDO-SECBINFHSA-N 0 3 318.341 0.700 20 5 DCBDHN C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736757707 598500814 /nfs/dbraw/zinc/50/08/14/598500814.db2.gz WYLYIDSDLBNFDO-SECBINFHSA-N 0 3 318.341 0.700 20 5 DCBDHN C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[C@@H]1N1CCN(C)CC1 ZINC000893046994 659705256 /nfs/dbraw/zinc/70/52/56/659705256.db2.gz IYXCRIVVVCUQEN-STQMWFEESA-N 0 3 322.413 0.791 20 5 DCBDHN Cc1nn(C)c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000726163824 661652447 /nfs/dbraw/zinc/65/24/47/661652447.db2.gz OEKRXXLYOAQOKD-MNOVXSKESA-N 0 3 323.353 0.230 20 5 DCBDHN CN1CCN(C)CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000897099276 662393988 /nfs/dbraw/zinc/39/39/88/662393988.db2.gz KNKSERHGQGLRRQ-UHFFFAOYSA-N 0 3 324.410 0.988 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NCc2csnn2)CC1 ZINC000996429894 666791264 /nfs/dbraw/zinc/79/12/64/666791264.db2.gz WTNKCZAMOMNZKN-GHMZBOCLSA-N 0 3 311.367 0.284 20 5 DCBDHN O=C1OC[C@@]2(CNCc3cccc([N+](=O)[O-])c3)COCCN12 ZINC000865770010 667345398 /nfs/dbraw/zinc/34/53/98/667345398.db2.gz ZJJIODRLNYDUFE-CQSZACIVSA-N 0 3 307.306 0.906 20 5 DCBDHN COC(=O)C[C@]1(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000767033101 668556719 /nfs/dbraw/zinc/55/67/19/668556719.db2.gz SPFPUCYPWCUBFB-UKRRQHHQSA-N 0 3 324.333 0.940 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CNC(=O)C2)CC1 ZINC000878154977 668690625 /nfs/dbraw/zinc/69/06/25/668690625.db2.gz JSAAUDGMGNOXNJ-UHFFFAOYSA-N 0 3 307.354 0.702 20 5 DCBDHN CN1CCN(C)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000933991456 669559162 /nfs/dbraw/zinc/55/91/62/669559162.db2.gz ASNQWFJXRXVIEI-MRXNPFEDSA-N 0 3 322.409 0.807 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935980323 669805849 /nfs/dbraw/zinc/80/58/49/669805849.db2.gz HWOLFMMAXBYOBU-MRVWCRGKSA-N 0 3 307.350 0.737 20 5 DCBDHN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)N1CCNCC1 ZINC000040860430 669821992 /nfs/dbraw/zinc/82/19/92/669821992.db2.gz VVYGJBRUQMLWAL-UHFFFAOYSA-N 0 3 314.367 0.177 20 5 DCBDHN CC(COC(=O)[C@@H](C)Sc1nnnn1C1CC1)[N+](=O)[O-] ZINC000813102882 670610687 /nfs/dbraw/zinc/61/06/87/670610687.db2.gz KVRKGZMMXSMVBO-RNFRBKRXSA-N 0 3 301.328 0.697 20 5 DCBDHN CC(COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[N+](=O)[O-] ZINC000813112034 670611734 /nfs/dbraw/zinc/61/17/34/670611734.db2.gz MOCNFSCDRYENDK-VHSXEESVSA-N 0 3 318.326 0.831 20 5 DCBDHN CC(COC(=O)c1ccc(S(=O)(=O)N(C)C)o1)[N+](=O)[O-] ZINC000813111924 670611887 /nfs/dbraw/zinc/61/18/87/670611887.db2.gz LRQMGQFHQKXLKJ-ZETCQYMHSA-N 0 3 306.296 0.352 20 5 DCBDHN CC(COC(=O)c1cnn(CC(=O)NC2CCCC2)c1)[N+](=O)[O-] ZINC000813114583 670612661 /nfs/dbraw/zinc/61/26/61/670612661.db2.gz TWGTXUKWZFXEFT-SNVBAGLBSA-N 0 3 324.337 0.764 20 5 DCBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000817118360 670897123 /nfs/dbraw/zinc/89/71/23/670897123.db2.gz TXBHBPFKINABPR-MNOVXSKESA-N 0 3 320.349 0.969 20 5 DCBDHN [NH3+]CCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000850588803 670920748 /nfs/dbraw/zinc/92/07/48/670920748.db2.gz OXCVDFIKJFBZHN-UHFFFAOYSA-N 0 3 302.356 0.787 20 5 DCBDHN NC(=O)c1cc(NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000853242424 671224207 /nfs/dbraw/zinc/22/42/07/671224207.db2.gz SFCMRLLQDDMKMN-NEPJUHHUSA-N 0 3 320.349 0.969 20 5 DCBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1(C(N)=O)CC1 ZINC001567553957 1160418668 /nfs/dbraw/zinc/41/86/68/1160418668.db2.gz GAOJBKSGKHNGKZ-UHFFFAOYSA-N 0 3 320.349 0.408 20 5 DCBDHN CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](CC)CN1 ZINC001573717727 1163540512 /nfs/dbraw/zinc/54/05/12/1163540512.db2.gz HJJCARCQHJUSFE-NEPJUHHUSA-N 0 3 322.365 0.746 20 5 DCBDHN C[C@]1(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CNCCO1 ZINC001576507728 1164369845 /nfs/dbraw/zinc/36/98/45/1164369845.db2.gz FDKANYBDJFZRMZ-GXTWGEPZSA-N 0 3 309.322 0.123 20 5 DCBDHN CCOc1ccc(C(=O)N[C@@H]2COC3(CNC3)C2)cc1[N+](=O)[O-] ZINC001578171507 1164943890 /nfs/dbraw/zinc/94/38/90/1164943890.db2.gz KJCAGODCBAYVEE-NSHDSACASA-N 0 3 321.333 0.854 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CNCCO2)c1 ZINC001579242139 1165248709 /nfs/dbraw/zinc/24/87/09/1165248709.db2.gz KAOOOYWFHFAMDR-CQSZACIVSA-N 0 3 309.322 0.712 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001593469480 1167859543 /nfs/dbraw/zinc/85/95/43/1167859543.db2.gz SCWOHSIUPUYYBL-HTQZYQBOSA-N 0 3 319.300 0.570 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001593469480 1167859553 /nfs/dbraw/zinc/85/95/53/1167859553.db2.gz SCWOHSIUPUYYBL-HTQZYQBOSA-N 0 3 319.300 0.570 20 5 DCBDHN O=[N+]([O-])c1cc(NC[C@@H]2CSCC[NH2+]2)ccc1-c1nnn[n-]1 ZINC001593473421 1167862287 /nfs/dbraw/zinc/86/22/87/1167862287.db2.gz BMJZJLGIBPTJAS-SECBINFHSA-N 0 3 321.366 0.892 20 5 DCBDHN O=[N+]([O-])c1cc(NC[C@@H]2CSCC[NH2+]2)ccc1-c1nn[n-]n1 ZINC001593473421 1167862295 /nfs/dbraw/zinc/86/22/95/1167862295.db2.gz BMJZJLGIBPTJAS-SECBINFHSA-N 0 3 321.366 0.892 20 5 DCBDHN CNC(=O)c1ccc(N2CC(N[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001612978962 1171365462 /nfs/dbraw/zinc/36/54/62/1171365462.db2.gz FVUUSIXVNDBWRO-NSHDSACASA-N 0 3 320.349 0.522 20 5 DCBDHN C[C@@H]1[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1C ZINC001612939394 1171365854 /nfs/dbraw/zinc/36/58/54/1171365854.db2.gz CHMAUODMQVSLQV-PSASIEDQSA-N 0 3 314.367 0.747 20 5 DCBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001636885129 1171751514 /nfs/dbraw/zinc/75/15/14/1171751514.db2.gz ULHXNGZXAFGDEB-NEPJUHHUSA-N 0 3 308.338 0.594 20 5 DCBDHN NC(=O)CC(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001715796687 1182007051 /nfs/dbraw/zinc/00/70/51/1182007051.db2.gz BUNXMHGRTASCDY-UPHRSURJSA-N 0 3 306.322 0.232 20 5 DCBDHN Cn1ccc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)n1 ZINC001733716251 1186412784 /nfs/dbraw/zinc/41/27/84/1186412784.db2.gz HMEBLLWCNMRKQS-VXGBXAGGSA-N 0 3 307.354 0.214 20 5 DCBDHN O=C(CCc1nnc[nH]1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001125419373 747124995 /nfs/dbraw/zinc/12/49/95/747124995.db2.gz AKPFRZBJJXVJEI-UHFFFAOYSA-N 0 3 324.366 0.613 20 5 DCBDHN O=C(CCc1nc[nH]n1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001125419373 747124998 /nfs/dbraw/zinc/12/49/98/747124998.db2.gz AKPFRZBJJXVJEI-UHFFFAOYSA-N 0 3 324.366 0.613 20 5 DCBDHN Cn1cnc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001125676380 747476796 /nfs/dbraw/zinc/47/67/96/747476796.db2.gz QWWGUAAUCXKSRM-UHFFFAOYSA-N 0 3 303.322 0.848 20 5 DCBDHN CCn1ncc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001126706148 749627250 /nfs/dbraw/zinc/62/72/50/749627250.db2.gz HKPZBMNQIGODAH-UHFFFAOYSA-N 0 3 318.337 0.726 20 5 DCBDHN Cc1nn(C)c(Cl)c1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126931847 750142708 /nfs/dbraw/zinc/14/27/08/750142708.db2.gz BSJFQOFUDZTDEH-PSASIEDQSA-N 0 3 315.761 0.253 20 5 DCBDHN O=C(NCCNCc1cc2n(n1)CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001126936240 750148342 /nfs/dbraw/zinc/14/83/42/750148342.db2.gz CFVUBFDOLHZTMQ-CHWSQXEVSA-N 0 3 307.354 0.090 20 5 DCBDHN Cn1ccc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001126966654 750286295 /nfs/dbraw/zinc/28/62/95/750286295.db2.gz WJXSOCXHUFVNOU-UHFFFAOYSA-N 0 3 317.349 0.777 20 5 DCBDHN COC(=O)COc1c(C)cc(-n2nncc2CN)cc1[N+](=O)[O-] ZINC001169311596 760642975 /nfs/dbraw/zinc/64/29/75/760642975.db2.gz LVQGCDJTFQDLRJ-UHFFFAOYSA-N 0 3 321.293 0.494 20 5 DCBDHN CN1CCc2c(NC[C@H]3COCCN3)ccc([N+](=O)[O-])c2C1 ZINC001170048115 761690247 /nfs/dbraw/zinc/69/02/47/761690247.db2.gz VPIUOVZXCPCXIM-NSHDSACASA-N 0 3 306.366 0.983 20 5 DCBDHN CC(=O)N(C)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123810208 768060565 /nfs/dbraw/zinc/06/05/65/768060565.db2.gz JISORKNNJJVEDC-UHFFFAOYSA-N 0 3 308.338 0.279 20 5 DCBDHN CCOC(=O)c1cnc(N[C@@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170564320 763839483 /nfs/dbraw/zinc/83/94/83/763839483.db2.gz PVVNEGOGTZQHFK-CABZTGNLSA-N 0 3 324.337 0.955 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCN1C1CCOCC1 ZINC001134085741 765334988 /nfs/dbraw/zinc/33/49/88/765334988.db2.gz VLFJGEAOVNSZTH-GFCCVEGCSA-N 0 3 323.353 0.161 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001116633891 765890812 /nfs/dbraw/zinc/89/08/12/765890812.db2.gz LSCQRYKTBZWYER-LLVKDONJSA-N 0 3 324.385 0.084 20 5 DCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCN(C)CC2)n1 ZINC001135877409 766150012 /nfs/dbraw/zinc/15/00/12/766150012.db2.gz JONSUQRPHRJXDL-UHFFFAOYSA-N 0 3 324.385 0.179 20 5 DCBDHN CC(C)(C)OC(=O)N1CCC(CO)(NCC[N+](=O)[O-])CC1 ZINC001171259666 767324256 /nfs/dbraw/zinc/32/42/56/767324256.db2.gz YTUSIQUMTQUXFR-UHFFFAOYSA-N 0 3 303.359 0.615 20 5 DCBDHN CCn1c(C[N+](=O)[O-])nnc1N1CCN(C2CCOCC2)CC1 ZINC001121699996 767623109 /nfs/dbraw/zinc/62/31/09/767623109.db2.gz MATXESDFOURTFV-UHFFFAOYSA-N 0 3 324.385 0.376 20 5 DCBDHN O=C1OC[C@@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC001175113061 769859773 /nfs/dbraw/zinc/85/97/73/769859773.db2.gz XJCXBTDAHHNFIK-TUAOUCFPSA-N 0 3 322.317 0.439 20 5 DCBDHN Cn1cccc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154711870 770273816 /nfs/dbraw/zinc/27/38/16/770273816.db2.gz GRIUBNXWRBETEU-UHFFFAOYSA-N 0 3 320.353 0.577 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CC(F)(F)F ZINC001155356619 770476018 /nfs/dbraw/zinc/47/60/18/770476018.db2.gz RYYDLOHZKZLLCB-UHFFFAOYSA-N 0 3 323.275 0.877 20 5 DCBDHN Cc1nc[nH]c1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001177564713 770495881 /nfs/dbraw/zinc/49/58/81/770495881.db2.gz XSWXCLVGKVZPJI-UHFFFAOYSA-N 0 3 321.341 0.270 20 5 DCBDHN CN(C)/C=C/c1cc(NC[C@H]2COCCN2)ncc1[N+](=O)[O-] ZINC001159043852 771851310 /nfs/dbraw/zinc/85/13/10/771851310.db2.gz IPCJQBHQZBWBAR-PYEVWLCESA-N 0 3 307.354 0.922 20 5 DCBDHN CN1C[C@@H]2CCCN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001162567707 772392682 /nfs/dbraw/zinc/39/26/82/772392682.db2.gz CYCKFSRUBDXXMX-JOYOIKCWSA-N 0 3 305.338 0.738 20 5 DCBDHN O=C1C[C@H]2[NH2+]CC[C@]2([N-]c2ncc3cccc([N+](=O)[O-])c3n2)N1 ZINC001163243236 772489522 /nfs/dbraw/zinc/48/95/22/772489522.db2.gz RVUYYQHPQHZZDM-QMTHXVAHSA-N 0 3 314.305 0.528 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001164380858 772652807 /nfs/dbraw/zinc/65/28/07/772652807.db2.gz XZSFSSYFPTYBEY-GDNZZTSVSA-N 0 3 321.381 0.970 20 5 DCBDHN CS(=O)(=O)N(c1ccc2ccc([N+](=O)[O-])cc2n1)C1CNC1 ZINC001166967093 772892218 /nfs/dbraw/zinc/89/22/18/772892218.db2.gz ATIAHGAMHZWFIW-UHFFFAOYSA-N 0 3 322.346 0.881 20 5 DCBDHN Cc1cc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)on1 ZINC001154554799 944151588 /nfs/dbraw/zinc/15/15/88/944151588.db2.gz GZKGSOVCGGVQKF-UHFFFAOYSA-N 0 3 322.325 0.534 20 5 DCBDHN CN(C)CCN(C)C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001329473544 949624048 /nfs/dbraw/zinc/62/40/48/949624048.db2.gz OLMWXTGFCCLBBO-UHFFFAOYSA-N 0 3 322.365 0.274 20 5 DCBDHN Cc1cc(NC(=O)C(=O)N(C)CCN(C)C)cc([N+](=O)[O-])c1 ZINC001337176792 952824316 /nfs/dbraw/zinc/82/43/16/952824316.db2.gz LUMNCOGBZVXWIE-UHFFFAOYSA-N 0 3 308.338 0.862 20 5 DCBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC001343337862 953338500 /nfs/dbraw/zinc/33/85/00/953338500.db2.gz WWBPUUKAJAXJKV-RISCZKNCSA-N 0 3 306.366 0.984 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001355231927 956620542 /nfs/dbraw/zinc/62/05/42/956620542.db2.gz GBCDFEQLKWSEFW-UHFFFAOYSA-N 0 3 322.369 0.073 20 5 DCBDHN C[C@@H]1C[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC001545709850 1005557949 /nfs/dbraw/zinc/55/79/49/1005557949.db2.gz MNKCMHGGRSJIEQ-PSASIEDQSA-N 0 3 305.338 0.927 20 5 DCBDHN C[C@H]1[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCN1C ZINC001558424809 1012357015 /nfs/dbraw/zinc/35/70/15/1012357015.db2.gz BKZBFOLSGYKCGX-CMPLNLGQSA-N 0 3 321.333 0.995 20 5 DCBDHN O=c1ccc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001461735375 1013038587 /nfs/dbraw/zinc/03/85/87/1013038587.db2.gz QGLXSAUGDPLFJN-UKRRQHHQSA-N 0 3 319.317 0.880 20 5 DCBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000157352980 529808713 /nfs/dbraw/zinc/80/87/13/529808713.db2.gz ZKAZSZPBPVWQPI-MNOVXSKESA-N 0 3 308.342 0.129 20 5 DCBDHN Cc1nn(C)c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000174675643 198368867 /nfs/dbraw/zinc/36/88/67/198368867.db2.gz LCHDZWNTHDWVQJ-MNOVXSKESA-N 0 3 307.354 0.945 20 5 DCBDHN CC1CCN(C[C@@H](O)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000154510388 291214028 /nfs/dbraw/zinc/21/40/28/291214028.db2.gz UPKXMRFBGCJXBV-JTQLQIEISA-N 0 3 311.342 0.141 20 5 DCBDHN CC(=O)N1CC[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000566116088 291271883 /nfs/dbraw/zinc/27/18/83/291271883.db2.gz TYNAVGSBBGBYFG-OCCSQVGLSA-N 0 3 323.349 0.545 20 5 DCBDHN CCN(C)C(=O)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566616125 291314905 /nfs/dbraw/zinc/31/49/05/291314905.db2.gz KYVVPKJDZARTHW-UHFFFAOYSA-N 0 3 308.338 0.991 20 5 DCBDHN COCCNCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000237277149 285077871 /nfs/dbraw/zinc/07/78/71/285077871.db2.gz UCZIIAHGYSLPLM-UHFFFAOYSA-N 0 3 310.354 0.383 20 5 DCBDHN CN(C)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000352053382 254392956 /nfs/dbraw/zinc/39/29/56/254392956.db2.gz SPQQKNIBLBMXLI-NSHDSACASA-N 0 3 323.353 0.246 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000123963101 395898864 /nfs/dbraw/zinc/89/88/64/395898864.db2.gz QFRQQTSJXPIKLJ-AWEZNQCLSA-N 0 3 310.354 0.707 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000123962918 395899006 /nfs/dbraw/zinc/89/90/06/395899006.db2.gz QFRQQTSJXPIKLJ-CQSZACIVSA-N 0 3 310.354 0.707 20 5 DCBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000247273262 395970879 /nfs/dbraw/zinc/97/08/79/395970879.db2.gz FPJBDNORXHCRKP-WCQYABFASA-N 0 3 309.370 0.980 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177046374 396165265 /nfs/dbraw/zinc/16/52/65/396165265.db2.gz BWKQGEHPHRUHEB-GXSJLCMTSA-N 0 3 307.354 0.841 20 5 DCBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000083418718 396314420 /nfs/dbraw/zinc/31/44/20/396314420.db2.gz OGBJYJMZIXXPIS-LLVKDONJSA-N 0 3 300.384 0.980 20 5 DCBDHN NC(=O)C1(NCCCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595730035 396653500 /nfs/dbraw/zinc/65/35/00/396653500.db2.gz ZIUYSOJYCULJDQ-UHFFFAOYSA-N 0 3 323.349 0.988 20 5 DCBDHN CN1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000584828600 396626643 /nfs/dbraw/zinc/62/66/43/396626643.db2.gz GGOZWUFPFCJZDE-AWEZNQCLSA-N 0 3 321.381 0.422 20 5 DCBDHN Nc1c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588862459 396696015 /nfs/dbraw/zinc/69/60/15/396696015.db2.gz BRFBKASRIDNOAI-MNOVXSKESA-N 0 3 320.349 0.458 20 5 DCBDHN COc1cccc([N+](=O)[O-])c1N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000596014015 396708357 /nfs/dbraw/zinc/70/83/57/396708357.db2.gz KKCXYWBQFAVCGJ-UWVGGRQHSA-N 0 3 306.322 0.352 20 5 DCBDHN C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000299230582 396711364 /nfs/dbraw/zinc/71/13/64/396711364.db2.gz DJBSTWCUTSPNRZ-SNVBAGLBSA-N 0 3 308.338 0.391 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302239263 396718715 /nfs/dbraw/zinc/71/87/15/396718715.db2.gz HIMITVUJGJHOOH-SNVBAGLBSA-N 0 3 309.374 0.405 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(n3cccn3)CC2)c1 ZINC000304338271 396729982 /nfs/dbraw/zinc/72/99/82/396729982.db2.gz XNAPMGVHCWZZEX-AWEZNQCLSA-N 0 3 320.353 0.686 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(C3CCCC3)CC2)c1 ZINC000304352558 396730526 /nfs/dbraw/zinc/73/05/26/396730526.db2.gz RUDJBCQSHOKOSA-HNNXBMFYSA-N 0 3 323.397 0.712 20 5 DCBDHN CN(C)S(=O)(=O)CCNCCc1ccc([N+](=O)[O-])cc1 ZINC000312327696 396763783 /nfs/dbraw/zinc/76/37/83/396763783.db2.gz YZDUOQRFWHBAFO-UHFFFAOYSA-N 0 3 301.368 0.618 20 5 DCBDHN CSc1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000590370273 396764149 /nfs/dbraw/zinc/76/41/49/396764149.db2.gz XMGFOAXPQJSXPM-SNVBAGLBSA-N 0 3 313.379 0.969 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@H]1CN ZINC000591270624 396891913 /nfs/dbraw/zinc/89/19/13/396891913.db2.gz ZCUBTARRSNKQAU-LLVKDONJSA-N 0 3 323.353 0.710 20 5 DCBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCCN1 ZINC000600679090 396915605 /nfs/dbraw/zinc/91/56/05/396915605.db2.gz ZIIDPZGBCBGABM-DGCLKSJQSA-N 0 3 322.365 0.890 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000597653548 397046165 /nfs/dbraw/zinc/04/61/65/397046165.db2.gz LGBJJQFSQIOSIM-LLVKDONJSA-N 0 3 309.366 0.911 20 5 DCBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000598263119 397200226 /nfs/dbraw/zinc/20/02/26/397200226.db2.gz PPCUOLJJUMPVDQ-LLVKDONJSA-N 0 3 310.358 0.423 20 5 DCBDHN C[C@@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])N(C)C ZINC000598586285 397250901 /nfs/dbraw/zinc/25/09/01/397250901.db2.gz DRLNNEXZZYNNCG-JTQLQIEISA-N 0 3 310.358 0.583 20 5 DCBDHN C[C@@H](CN(C)C)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598902518 397305459 /nfs/dbraw/zinc/30/54/59/397305459.db2.gz IVLUSSZIYAAKPN-JTQLQIEISA-N 0 3 323.353 0.783 20 5 DCBDHN NCC1(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000598914372 397307820 /nfs/dbraw/zinc/30/78/20/397307820.db2.gz BPGIJXOULUZGLL-UHFFFAOYSA-N 0 3 306.322 0.921 20 5 DCBDHN Cc1cc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc([N+](=O)[O-])c1 ZINC000578276402 397414090 /nfs/dbraw/zinc/41/40/90/397414090.db2.gz LLUKQXVUUCDYMP-NSHDSACASA-N 0 3 322.365 0.699 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CCO)C(C)(C)C1 ZINC000602815679 397493115 /nfs/dbraw/zinc/49/31/15/397493115.db2.gz QDXAFDPFGLRNNZ-UHFFFAOYSA-N 0 3 311.386 0.488 20 5 DCBDHN CN1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000579354825 397557374 /nfs/dbraw/zinc/55/73/74/397557374.db2.gz DTWAMEWAGHLKSY-LLVKDONJSA-N 0 3 307.354 0.108 20 5 DCBDHN C[C@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193401580 287060772 /nfs/dbraw/zinc/06/07/72/287060772.db2.gz YGQRTZSCSIURGI-JGVFFNPUSA-N 0 3 305.381 0.933 20 5 DCBDHN CCCN(CC)C[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000359743312 287214404 /nfs/dbraw/zinc/21/44/04/287214404.db2.gz MWMXKBKQGFDUOI-LBPRGKRZSA-N 0 3 324.381 0.993 20 5 DCBDHN NC[C@H]1CCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420296259 287286799 /nfs/dbraw/zinc/28/67/99/287286799.db2.gz WYLVUHOFPGQLBT-GFCCVEGCSA-N 0 3 313.379 0.792 20 5 DCBDHN NC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342875687 415328067 /nfs/dbraw/zinc/32/80/67/415328067.db2.gz XJFYLAPJPQUHOS-LLVKDONJSA-N 0 3 321.337 0.666 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1COC[C@@H]1O ZINC000352807648 415329131 /nfs/dbraw/zinc/32/91/31/415329131.db2.gz WYIHYCJQYFLWPO-KGLIPLIRSA-N 0 3 323.349 0.923 20 5 DCBDHN C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@@H]1C ZINC000343066958 415430136 /nfs/dbraw/zinc/43/01/36/415430136.db2.gz JJQMFCIGMRRLEM-QWRGUYRKSA-N 0 3 310.358 0.565 20 5 DCBDHN CCN1CCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343178129 415488039 /nfs/dbraw/zinc/48/80/39/415488039.db2.gz AFUISYXUQVGYLU-NSHDSACASA-N 0 3 308.338 0.357 20 5 DCBDHN COc1cc(CNC[C@@H]2CC[C@@H](CO)O2)c([N+](=O)[O-])cc1O ZINC000353690969 415626859 /nfs/dbraw/zinc/62/68/59/415626859.db2.gz SLOBMKXGTPXGRO-QWRGUYRKSA-N 0 3 312.322 0.939 20 5 DCBDHN CCCN1CCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343637536 415665820 /nfs/dbraw/zinc/66/58/20/415665820.db2.gz BUJWBKROQZVVCQ-LBPRGKRZSA-N 0 3 322.365 0.747 20 5 DCBDHN [NH3+][C@H]1CCc2nc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000343858589 415755375 /nfs/dbraw/zinc/75/53/75/415755375.db2.gz NSJPZRXQOMWREL-YFKPBYRVSA-N 0 3 308.323 0.843 20 5 DCBDHN C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN(C2CCC2)C1 ZINC000344693345 415971620 /nfs/dbraw/zinc/97/16/20/415971620.db2.gz JDOAECYZOFEQBC-NSHDSACASA-N 0 3 322.369 0.519 20 5 DCBDHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000298591729 416016628 /nfs/dbraw/zinc/01/66/28/416016628.db2.gz GATLCFUAYOHJTP-SNVBAGLBSA-N 0 3 308.338 0.908 20 5 DCBDHN C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H](C)C1 ZINC000357892259 416149130 /nfs/dbraw/zinc/14/91/30/416149130.db2.gz RPTZRABQFMJWRA-QWRGUYRKSA-N 0 3 310.358 0.423 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000358058244 416181305 /nfs/dbraw/zinc/18/13/05/416181305.db2.gz CIBJPNCYHREBPX-AWEZNQCLSA-N 0 3 309.322 0.156 20 5 DCBDHN CCN(CCO)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000183960539 416250032 /nfs/dbraw/zinc/25/00/32/416250032.db2.gz AVDGVOQFWGYLJS-UHFFFAOYSA-N 0 3 324.381 0.827 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CNCCO1 ZINC000415501454 416345983 /nfs/dbraw/zinc/34/59/83/416345983.db2.gz MKXASOPLPSMXTJ-JTQLQIEISA-N 0 3 310.310 0.713 20 5 DCBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000362073069 416556918 /nfs/dbraw/zinc/55/69/18/416556918.db2.gz TWYBHKCLTHIXSF-YRGRVCCFSA-N 0 3 310.350 0.895 20 5 DCBDHN Nc1ccc(NC2CCN([C@H]3CCOC3)CC2)nc1[N+](=O)[O-] ZINC000596167577 416578402 /nfs/dbraw/zinc/57/84/02/416578402.db2.gz LPORWCHVNMMGAK-NSHDSACASA-N 0 3 307.354 1.237 20 5 DCBDHN O=C(CCN1CC[C@@H](CO)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000559284124 416807009 /nfs/dbraw/zinc/80/70/09/416807009.db2.gz YJYDUCHAJXTFIQ-FZMZJTMJSA-N 0 3 323.349 0.599 20 5 DCBDHN COc1cccc(C(=O)NC[C@@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000444364065 416836198 /nfs/dbraw/zinc/83/61/98/416836198.db2.gz KRTLKJKZCFXABK-AWEZNQCLSA-N 0 3 309.322 0.400 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CO)CC(F)(F)F)c1 ZINC000518374752 416852586 /nfs/dbraw/zinc/85/25/86/416852586.db2.gz GQUBAFHRGIWNCU-CBAPKCEASA-N 0 3 312.248 0.055 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000519788621 416937513 /nfs/dbraw/zinc/93/75/13/416937513.db2.gz LPJGWUJWSBKMNG-STQMWFEESA-N 0 3 309.322 0.350 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)C[NH3+] ZINC000447248110 416973514 /nfs/dbraw/zinc/97/35/14/416973514.db2.gz KDJUODRVFWVWQH-QMMMGPOBSA-N 0 3 303.340 0.477 20 5 DCBDHN COc1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000565434360 416981398 /nfs/dbraw/zinc/98/13/98/416981398.db2.gz ZGAJTJYXMINRJZ-MNOVXSKESA-N 0 3 306.322 0.352 20 5 DCBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CNCCC2(F)F)c1[N+](=O)[O-] ZINC000449665353 417159769 /nfs/dbraw/zinc/15/97/69/417159769.db2.gz QPQUFHZMBPBGON-MRVPVSSYSA-N 0 3 317.296 0.997 20 5 DCBDHN Nc1c(C(=O)NC[C@@]2(O)CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000576021096 417571824 /nfs/dbraw/zinc/57/18/24/417571824.db2.gz ODLKKQVHFLHPBU-OAHLLOKOSA-N 0 3 320.349 0.364 20 5 DCBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000354566175 261238220 /nfs/dbraw/zinc/23/82/20/261238220.db2.gz LGNJWEAMZCWLOT-GXTWGEPZSA-N 0 3 320.397 0.847 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N[C@H](CN)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000418783604 262289722 /nfs/dbraw/zinc/28/97/22/262289722.db2.gz OUZFBFDFZBFGIA-NOZJJQNGSA-N 0 3 320.349 0.626 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000564201093 288729387 /nfs/dbraw/zinc/72/93/87/288729387.db2.gz AGTBHLUYQAJENM-JTQLQIEISA-N 0 3 323.305 0.084 20 5 DCBDHN CN1CC[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000564724199 288762420 /nfs/dbraw/zinc/76/24/20/288762420.db2.gz ZAHFZSIOZIEBLM-GHMZBOCLSA-N 0 3 309.322 0.155 20 5 DCBDHN COc1cc(C(=O)N2CCN(C)C[C@@H]2CN)ccc1[N+](=O)[O-] ZINC000388486678 333315514 /nfs/dbraw/zinc/31/55/14/333315514.db2.gz CLTJKCRTMADNGX-NSHDSACASA-N 0 3 308.338 0.318 20 5 DCBDHN CCc1n[nH]c(C(=O)N(CCOC)CCN(C)C)c1[N+](=O)[O-] ZINC000188422123 523667402 /nfs/dbraw/zinc/66/74/02/523667402.db2.gz IJVUHMDAKJPRIP-UHFFFAOYSA-N 0 3 313.358 0.531 20 5 DCBDHN CCc1[nH]nc(C(=O)N(CCOC)CCN(C)C)c1[N+](=O)[O-] ZINC000188422123 523667407 /nfs/dbraw/zinc/66/74/07/523667407.db2.gz IJVUHMDAKJPRIP-UHFFFAOYSA-N 0 3 313.358 0.531 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NCCN1CCCCC1 ZINC000128404450 526467839 /nfs/dbraw/zinc/46/78/39/526467839.db2.gz GDCAGJJKQBSSHK-UHFFFAOYSA-N 0 3 310.358 0.576 20 5 DCBDHN CCN1CCN([C@@H](C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000330751235 529150907 /nfs/dbraw/zinc/15/09/07/529150907.db2.gz ZCUDUTYRRAEABD-JTQLQIEISA-N 0 3 324.385 0.382 20 5 DCBDHN COc1c([O-])c(CN2CCNCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000904396912 663511523 /nfs/dbraw/zinc/51/15/23/663511523.db2.gz SODVMWHRHBUDET-UHFFFAOYSA-N 0 3 310.354 0.304 20 5 DCBDHN CN1CCNC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000912113668 664141834 /nfs/dbraw/zinc/14/18/34/664141834.db2.gz PXXJLEHOLBVCRJ-CYBMUJFWSA-N 0 3 307.354 0.027 20 5 DCBDHN Cc1c(CC(=O)N(C)CCN(C)CCO)cccc1[N+](=O)[O-] ZINC000912606837 664193000 /nfs/dbraw/zinc/19/30/00/664193000.db2.gz GRKNRNOJUHKJHT-UHFFFAOYSA-N 0 3 309.366 0.828 20 5 DCBDHN Cc1ncccc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662243 665273819 /nfs/dbraw/zinc/27/38/19/665273819.db2.gz YTLPQXIFSOROTG-ZIAGYGMSSA-N 0 3 304.350 0.603 20 5 DCBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000861345409 666920383 /nfs/dbraw/zinc/92/03/83/666920383.db2.gz TZNXCEBKFKRRRJ-GXFFZTMASA-N 0 3 312.326 0.444 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889779251 667996178 /nfs/dbraw/zinc/99/61/78/667996178.db2.gz DJCGPFMQECHKSA-CHWSQXEVSA-N 0 3 322.365 0.605 20 5 DCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000756817966 668101671 /nfs/dbraw/zinc/10/16/71/668101671.db2.gz JEYHYOJVSXJSNA-GHMZBOCLSA-N 0 3 323.353 0.404 20 5 DCBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)C1(O)CCOCC1 ZINC000930442181 669019845 /nfs/dbraw/zinc/01/98/45/669019845.db2.gz VGLUJOZHZVVXMA-HNNXBMFYSA-N 0 3 324.377 0.972 20 5 DCBDHN O=C1NCCN1CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000933586187 669506140 /nfs/dbraw/zinc/50/61/40/669506140.db2.gz MLKOZGGLDGYBIH-UHFFFAOYSA-N 0 3 322.369 0.529 20 5 DCBDHN CC(COC(=O)CC1CCN(S(C)(=O)=O)CC1)[N+](=O)[O-] ZINC000847713820 670594336 /nfs/dbraw/zinc/59/43/36/670594336.db2.gz CNTNIWJFPCHKLK-SECBINFHSA-N 0 3 308.356 0.257 20 5 DCBDHN CCNS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813108591 670611644 /nfs/dbraw/zinc/61/16/44/670611644.db2.gz HZKUIADUGNNTEZ-SECBINFHSA-N 0 3 316.335 0.807 20 5 DCBDHN Cc1nc2ncnn2c(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112406 670612947 /nfs/dbraw/zinc/61/29/47/670612947.db2.gz GLZARYDTIMZQHW-MRVPVSSYSA-N 0 3 307.310 0.882 20 5 DCBDHN O=C1C[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000819131866 671097560 /nfs/dbraw/zinc/09/75/60/671097560.db2.gz QLNJDGXZOBHOGS-RISCZKNCSA-N 0 3 305.334 0.981 20 5 DCBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)[N+](=O)[O-] ZINC000860776123 671237318 /nfs/dbraw/zinc/23/73/18/671237318.db2.gz BWHMIFPEAQAFTM-XWIASGKRSA-N 0 3 307.306 0.809 20 5 DCBDHN CC(=O)NC1CC2(CC(NCc3c([N+](=O)[O-])ncn3C)C2)C1 ZINC000963433477 689049457 /nfs/dbraw/zinc/04/94/57/689049457.db2.gz JCHXKMCKDUYXDZ-UHFFFAOYSA-N 0 3 307.354 0.865 20 5 DCBDHN Cc1nc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)o1 ZINC001020139498 693710749 /nfs/dbraw/zinc/71/07/49/693710749.db2.gz BJCNPFWTXBLHOF-PRULPYPASA-N 0 3 308.338 0.693 20 5 DCBDHN COc1nccc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001566453255 1159985590 /nfs/dbraw/zinc/98/55/90/1159985590.db2.gz HQYILXPWBWPOHH-VXGBXAGGSA-N 0 3 323.353 0.089 20 5 DCBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cn1cncn1 ZINC001567603256 1160437145 /nfs/dbraw/zinc/43/71/45/1160437145.db2.gz UBWSPKSSMIOLGQ-UHFFFAOYSA-N 0 3 318.337 0.435 20 5 DCBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CCNC[C@@H]1F ZINC001580582826 1165645171 /nfs/dbraw/zinc/64/51/71/1165645171.db2.gz YNLSNMVBUVILSI-RYUDHWBXSA-N 0 3 321.312 0.761 20 5 DCBDHN C[C@@H](CC[NH+](C)C)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589821448 1166693009 /nfs/dbraw/zinc/69/30/09/1166693009.db2.gz RVAPXAFYBCCUEJ-QMMMGPOBSA-N 0 3 306.330 0.922 20 5 DCBDHN C[C@@H](CC[NH+](C)C)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589821448 1166693014 /nfs/dbraw/zinc/69/30/14/1166693014.db2.gz RVAPXAFYBCCUEJ-QMMMGPOBSA-N 0 3 306.330 0.922 20 5 DCBDHN CCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590692816 1166977718 /nfs/dbraw/zinc/97/77/18/1166977718.db2.gz ORRWBCXKSZOANR-UHFFFAOYSA-N 0 3 320.357 0.948 20 5 DCBDHN CCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590692816 1166977725 /nfs/dbraw/zinc/97/77/25/1166977725.db2.gz ORRWBCXKSZOANR-UHFFFAOYSA-N 0 3 320.357 0.948 20 5 DCBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(NC2COC2)C1 ZINC001598274886 1168019554 /nfs/dbraw/zinc/01/95/54/1168019554.db2.gz QILAAXRFZYFRRR-UHFFFAOYSA-N 0 3 317.305 0.284 20 5 DCBDHN CN(CC[N@H+](C)C1CC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609275720 1170907271 /nfs/dbraw/zinc/90/72/71/1170907271.db2.gz DYGZPQKRFBQXGG-UHFFFAOYSA-N 0 3 318.341 0.700 20 5 DCBDHN CN(CC[N@@H+](C)C1CC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609275720 1170907272 /nfs/dbraw/zinc/90/72/72/1170907272.db2.gz DYGZPQKRFBQXGG-UHFFFAOYSA-N 0 3 318.341 0.700 20 5 DCBDHN CN(CC[N@H+](C)C1CC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609275720 1170907275 /nfs/dbraw/zinc/90/72/75/1170907275.db2.gz DYGZPQKRFBQXGG-UHFFFAOYSA-N 0 3 318.341 0.700 20 5 DCBDHN CN(CC[N@@H+](C)C1CC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609275720 1170907281 /nfs/dbraw/zinc/90/72/81/1170907281.db2.gz DYGZPQKRFBQXGG-UHFFFAOYSA-N 0 3 318.341 0.700 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001609602672 1171039679 /nfs/dbraw/zinc/03/96/79/1171039679.db2.gz CFKPMXTWVBMTDP-IUCAKERBSA-N 0 3 301.310 0.431 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001609602672 1171039671 /nfs/dbraw/zinc/03/96/71/1171039671.db2.gz CFKPMXTWVBMTDP-IUCAKERBSA-N 0 3 301.310 0.431 20 5 DCBDHN CN(CCO)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001634744686 1171686579 /nfs/dbraw/zinc/68/65/79/1171686579.db2.gz LPYUKPOQOOBDET-UHFFFAOYSA-N 0 3 320.349 0.590 20 5 DCBDHN Cc1cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c(N)c([N+](=O)[O-])c1 ZINC001635940410 1171718755 /nfs/dbraw/zinc/71/87/55/1171718755.db2.gz BECKLXGIELIKPM-SNVBAGLBSA-N 0 3 320.349 0.688 20 5 DCBDHN C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN(C2CC2)C1 ZINC001636746489 1171747286 /nfs/dbraw/zinc/74/72/86/1171747286.db2.gz YDNBVCVUVDSVOI-SNVBAGLBSA-N 0 3 308.342 0.129 20 5 DCBDHN CC(C)(O)[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001644832963 1172022697 /nfs/dbraw/zinc/02/26/97/1172022697.db2.gz PHGWTAUEETVTQI-PWSUYJOCSA-N 0 3 310.354 0.608 20 5 DCBDHN COc1cc(C[NH2+]CCCOCCO)c([N+](=O)[O-])cc1[O-] ZINC001650827828 1173733733 /nfs/dbraw/zinc/73/37/33/1173733733.db2.gz QEVGFLJLTKFJRF-UHFFFAOYSA-N 0 3 300.311 0.798 20 5 DCBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001654229440 1173802055 /nfs/dbraw/zinc/80/20/55/1173802055.db2.gz MXJISZGIWDMXEJ-MIMYLULJSA-N 0 3 306.322 0.174 20 5 DCBDHN CC1(C)CNC(=O)[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001654676945 1173809166 /nfs/dbraw/zinc/80/91/66/1173809166.db2.gz SLHMJNWNISXHAN-GWCFXTLKSA-N 0 3 323.349 0.449 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001655303393 1173817725 /nfs/dbraw/zinc/81/77/25/1173817725.db2.gz JNYGZNDORHTRHI-LLVKDONJSA-N 0 3 322.369 0.247 20 5 DCBDHN COc1ccc2ncc([N+](=O)[O-])c(N[C@H](CO)CN(C)C)c2c1 ZINC001655534123 1173822620 /nfs/dbraw/zinc/82/26/20/1173822620.db2.gz CTHPEDVNNGPZEK-JTQLQIEISA-N 0 3 320.349 0.908 20 5 DCBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC001659623291 1173933915 /nfs/dbraw/zinc/93/39/15/1173933915.db2.gz ZIWMSABCOMVEHR-NWANDNLSSA-N 0 3 310.350 0.693 20 5 DCBDHN C[C@](CO)(NC[C@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC001659768560 1173935630 /nfs/dbraw/zinc/93/56/30/1173935630.db2.gz HLIDQDGWFQOLTM-LSDHHAIUSA-N 0 3 320.349 0.650 20 5 DCBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cc[nH]n1 ZINC001699491273 1178159657 /nfs/dbraw/zinc/15/96/57/1178159657.db2.gz DDCARMHARMGBMW-UHFFFAOYSA-N 0 3 321.341 0.303 20 5 DCBDHN Cc1ccc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC001714537437 1181406999 /nfs/dbraw/zinc/40/69/99/1181406999.db2.gz UGDSQYHHFFERQJ-ZIAGYGMSSA-N 0 3 306.366 0.912 20 5 DCBDHN CCOc1cnc(N(C)S(=O)(=O)CCN)c([N+](=O)[O-])c1 ZINC001164287239 756674627 /nfs/dbraw/zinc/67/46/27/756674627.db2.gz NXCCEGIARKFLAZ-UHFFFAOYSA-N 0 3 304.328 0.113 20 5 DCBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001170338715 762621770 /nfs/dbraw/zinc/62/17/70/762621770.db2.gz XRVOHADCUCYRNE-UHFFFAOYSA-N 0 3 303.282 0.567 20 5 DCBDHN O=C(CNC(=O)C1CC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124084564 768123024 /nfs/dbraw/zinc/12/30/24/768123024.db2.gz RYWAZIGVHKLQBH-UHFFFAOYSA-N 0 3 320.349 0.327 20 5 DCBDHN CCOC(=O)c1cnc(N[C@@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170564321 763839626 /nfs/dbraw/zinc/83/96/26/763839626.db2.gz PVVNEGOGTZQHFK-JOYOIKCWSA-N 0 3 324.337 0.955 20 5 DCBDHN Cn1c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c[nH]c1=O ZINC001132366913 764407778 /nfs/dbraw/zinc/40/77/78/764407778.db2.gz DSZKBNVPQJYRRT-UHFFFAOYSA-N 0 3 319.321 0.554 20 5 DCBDHN NC(=O)C1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001133184702 764862736 /nfs/dbraw/zinc/86/27/36/764862736.db2.gz BPRKIAAVURUESX-UHFFFAOYSA-N 0 3 306.322 0.066 20 5 DCBDHN O=C(Cc1nc[nH]n1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001170716995 765281901 /nfs/dbraw/zinc/28/19/01/765281901.db2.gz BYJHFDPIMORTAU-UHFFFAOYSA-N 0 3 324.366 0.613 20 5 DCBDHN O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC001122081834 767711868 /nfs/dbraw/zinc/71/18/68/767711868.db2.gz JULMEQJAXRWFGQ-ZIAGYGMSSA-N 0 3 317.345 0.899 20 5 DCBDHN CN(CC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCC1 ZINC001094221755 768889661 /nfs/dbraw/zinc/88/96/61/768889661.db2.gz PHHOGISGBFFCNG-UHFFFAOYSA-N 0 3 323.353 0.708 20 5 DCBDHN CCCCN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001094291401 768977820 /nfs/dbraw/zinc/97/78/20/768977820.db2.gz QXPRQYOUTJQTHT-CHWSQXEVSA-N 0 3 322.369 0.216 20 5 DCBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001176902012 770242958 /nfs/dbraw/zinc/24/29/58/770242958.db2.gz FCKFFAYEWFCEKC-MNOVXSKESA-N 0 3 305.338 0.881 20 5 DCBDHN CCCOCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001155402961 770492564 /nfs/dbraw/zinc/49/25/64/770492564.db2.gz SMTVRRNZLMCPBW-UHFFFAOYSA-N 0 3 313.358 0.351 20 5 DCBDHN COC(=O)c1ccnc(N[C@@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159497216 771919630 /nfs/dbraw/zinc/91/96/30/771919630.db2.gz HESOZBRVYRGXNB-WCBMZHEXSA-N 0 3 310.310 0.565 20 5 DCBDHN C[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC001185801298 771957884 /nfs/dbraw/zinc/95/78/84/771957884.db2.gz DIMHQYJEYODTAQ-CHWSQXEVSA-N 0 3 322.413 0.791 20 5 DCBDHN CCOC(=O)c1ccnc(NCCN(C)CCO)c1[N+](=O)[O-] ZINC001187593704 772200814 /nfs/dbraw/zinc/20/08/14/772200814.db2.gz OPPKFBPKMQKOPB-UHFFFAOYSA-N 0 3 312.326 0.503 20 5 DCBDHN COc1nc(C)nc(NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC001161700491 772268237 /nfs/dbraw/zinc/26/82/37/772268237.db2.gz FMSYPYKMXHAUIB-UHFFFAOYSA-N 0 3 324.385 0.751 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2nc(N)n[nH]2)CC1 ZINC001194782695 773253262 /nfs/dbraw/zinc/25/32/62/773253262.db2.gz VQIXEMRGBYWYLG-UHFFFAOYSA-N 0 3 320.357 0.680 20 5 DCBDHN Cc1cnc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001321057608 946146733 /nfs/dbraw/zinc/14/67/33/946146733.db2.gz QWLSTXHEODBJEY-XCUNLHGCSA-N 0 3 305.338 0.212 20 5 DCBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C)S(=O)(=O)CCN ZINC001254534695 946407888 /nfs/dbraw/zinc/40/78/88/946407888.db2.gz BJGCCAGGJDUDMF-JTQLQIEISA-N 0 3 301.368 0.746 20 5 DCBDHN NC(=O)C1(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001327581708 948560222 /nfs/dbraw/zinc/56/02/22/948560222.db2.gz JGDDLCNKUQJSIL-GFCCVEGCSA-N 0 3 309.322 0.252 20 5 DCBDHN CN1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001337480431 952864666 /nfs/dbraw/zinc/86/46/66/952864666.db2.gz LXYPSGKJRZTWLH-LLVKDONJSA-N 0 3 308.338 0.357 20 5 DCBDHN O=[N+]([O-])c1cnn(CC[NH+]2CCC(Cc3nnn[n-]3)CC2)c1 ZINC001308048356 960164630 /nfs/dbraw/zinc/16/46/30/960164630.db2.gz LORAEZGFXPBKTD-UHFFFAOYSA-N 0 3 306.330 0.259 20 5 DCBDHN CCN1C[C@H](C)N(c2nnc(CCC[N+](=O)[O-])n2C)C[C@H]1C ZINC001519565658 1017216901 /nfs/dbraw/zinc/21/69/01/1017216901.db2.gz CPBZKIRPKWLXES-NEPJUHHUSA-N 0 3 310.402 0.943 20 5 DCBDHN COCCN(CCN(C)C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001443719699 1010609501 /nfs/dbraw/zinc/60/95/01/1010609501.db2.gz SDBAVEPDYPWYKM-UHFFFAOYSA-N 0 3 319.749 0.622 20 5 DCBDHN Nc1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001558549111 1012363761 /nfs/dbraw/zinc/36/37/61/1012363761.db2.gz MLOPILCBHNNIBT-JTQLQIEISA-N 0 3 306.322 0.380 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)C3(O)CCC3)C2)nc1 ZINC001459701290 1012819300 /nfs/dbraw/zinc/81/93/00/1012819300.db2.gz SRMTZGMPASOMDQ-YPMHNXCESA-N 0 3 322.365 0.752 20 5 DCBDHN CCC1(CC)CNC(=O)[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC001460830469 1012972945 /nfs/dbraw/zinc/97/29/45/1012972945.db2.gz ZBKWAYRVQWTJFO-CYBMUJFWSA-N 0 3 322.365 0.651 20 5 DCBDHN CCCN(C)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001478262170 1017334302 /nfs/dbraw/zinc/33/43/02/1017334302.db2.gz MDYQCGCPOJYIIU-UHFFFAOYSA-N 0 3 309.370 0.884 20 5 DCBDHN CN(C)C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CCO1 ZINC000342246627 282128380 /nfs/dbraw/zinc/12/83/80/282128380.db2.gz SOJMSSGYQTUKGG-SNVBAGLBSA-N 0 3 308.338 0.461 20 5 DCBDHN Cc1ccc(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000566491792 291307874 /nfs/dbraw/zinc/30/78/74/291307874.db2.gz ZCCCEACUDUYBIT-STQMWFEESA-N 0 3 304.350 0.647 20 5 DCBDHN O=C(C[C@H]1CNCCO1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423731146 240244871 /nfs/dbraw/zinc/24/48/71/240244871.db2.gz XLAACEMGLKGHNU-VIFPVBQESA-N 0 3 305.294 0.788 20 5 DCBDHN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CNCCO1 ZINC000493813485 241162618 /nfs/dbraw/zinc/16/26/18/241162618.db2.gz CSVOELRGGKNHQB-FXMSTWTQSA-N 0 3 309.297 0.852 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571940087 291540592 /nfs/dbraw/zinc/54/05/92/291540592.db2.gz RLDMUEFEXFICDS-YPMHNXCESA-N 0 3 318.333 0.287 20 5 DCBDHN C[C@H](O)CN(CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289361021 131377694 /nfs/dbraw/zinc/37/76/94/131377694.db2.gz AHCWOJIOIVIEDD-NWDGAFQWSA-N 0 3 314.338 0.010 20 5 DCBDHN Cc1nn(C)c(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000108299994 395787794 /nfs/dbraw/zinc/78/77/94/395787794.db2.gz GSGAIKWVMVVCTL-LLVKDONJSA-N 0 3 307.354 0.851 20 5 DCBDHN C[C@H]1CCNC(=O)[C@@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193641359 395776108 /nfs/dbraw/zinc/77/61/08/395776108.db2.gz JZNSLEVIHQEJAG-VHRBIJSZSA-N 0 3 323.349 0.449 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1N1CCC(CN2CCN(C)CC2)CC1 ZINC000057151598 395939883 /nfs/dbraw/zinc/93/98/83/395939883.db2.gz MPEXEMCHLLNPIT-UHFFFAOYSA-N 0 3 322.413 0.792 20 5 DCBDHN CN1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000058851279 395955706 /nfs/dbraw/zinc/95/57/06/395955706.db2.gz HGBNUFIOPVXIKI-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H](C)C1 ZINC000063810156 395982951 /nfs/dbraw/zinc/98/29/51/395982951.db2.gz RPTZRABQFMJWRA-GHMZBOCLSA-N 0 3 310.358 0.423 20 5 DCBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000068336827 396052828 /nfs/dbraw/zinc/05/28/28/396052828.db2.gz RJGSFFDKFSZTGZ-UHFFFAOYSA-N 0 3 324.381 0.969 20 5 DCBDHN COCCCN(C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000152387328 396008293 /nfs/dbraw/zinc/00/82/93/396008293.db2.gz LTGDBISFTRTCBM-UHFFFAOYSA-N 0 3 313.358 0.335 20 5 DCBDHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000262124366 396101233 /nfs/dbraw/zinc/10/12/33/396101233.db2.gz NMXWENJFYJAJJT-AWEZNQCLSA-N 0 3 320.349 0.583 20 5 DCBDHN COCCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176893502 396163017 /nfs/dbraw/zinc/16/30/17/396163017.db2.gz GSXIUBOAPPIXQR-UHFFFAOYSA-N 0 3 310.354 0.875 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177046396 396165633 /nfs/dbraw/zinc/16/56/33/396165633.db2.gz BWKQGEHPHRUHEB-MWLCHTKSSA-N 0 3 307.354 0.841 20 5 DCBDHN COc1cc(C[NH2+]CC2(O)CCOCC2)c([N+](=O)[O-])cc1[O-] ZINC000264057497 396252413 /nfs/dbraw/zinc/25/24/13/396252413.db2.gz OPHKKZYARCFKAQ-UHFFFAOYSA-N 0 3 312.322 0.940 20 5 DCBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CN1C1CC1 ZINC000185281889 396324058 /nfs/dbraw/zinc/32/40/58/396324058.db2.gz STOFKFBYRYBCGK-DTWKUNHWSA-N 0 3 305.338 0.927 20 5 DCBDHN CN1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000266695931 396352379 /nfs/dbraw/zinc/35/23/79/396352379.db2.gz DWODVOPWYDHWNW-UHFFFAOYSA-N 0 3 311.313 0.920 20 5 DCBDHN C[C@@H](O)CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000191233025 396417675 /nfs/dbraw/zinc/41/76/75/396417675.db2.gz ZPHNVGWSRXTIKF-QWHCGFSZSA-N 0 3 324.381 0.143 20 5 DCBDHN CCN1CCC[C@@H]1CN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269583337 396426547 /nfs/dbraw/zinc/42/65/47/396426547.db2.gz ABXHWZIVKJHQRD-GFCCVEGCSA-N 0 3 322.365 0.699 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](n3cccn3)C2)c1 ZINC000291755348 396510870 /nfs/dbraw/zinc/51/08/70/396510870.db2.gz KVWPBEBTOSKTCE-DGCLKSJQSA-N 0 3 306.326 0.296 20 5 DCBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O)C1CC1 ZINC000290818617 396473335 /nfs/dbraw/zinc/47/33/35/396473335.db2.gz SFAWUHGIJINRNV-JTQLQIEISA-N 0 3 301.730 0.865 20 5 DCBDHN CN1CC[C@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292307035 396543703 /nfs/dbraw/zinc/54/37/03/396543703.db2.gz SGGHVTCDWJPOCJ-HNNXBMFYSA-N 0 3 320.349 0.311 20 5 DCBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588861854 396696219 /nfs/dbraw/zinc/69/62/19/396696219.db2.gz VSDNUKXGBFMSFU-ZIAGYGMSSA-N 0 3 305.334 0.876 20 5 DCBDHN CCC1(CO)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000305684302 396747013 /nfs/dbraw/zinc/74/70/13/396747013.db2.gz ACPKKNXPERISPK-ZDUSSCGKSA-N 0 3 312.370 0.637 20 5 DCBDHN CCN(C)C[C@@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000319555141 396810816 /nfs/dbraw/zinc/81/08/16/396810816.db2.gz OIHNFLXYZGWDSY-LLVKDONJSA-N 0 3 306.322 0.617 20 5 DCBDHN CC1(C)CN[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591675481 396973964 /nfs/dbraw/zinc/97/39/64/396973964.db2.gz NIUCLNDGEKCVBZ-ZDUSSCGKSA-N 0 3 319.365 0.636 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000592338215 397155595 /nfs/dbraw/zinc/15/55/95/397155595.db2.gz SMGCTJFEXUXYHD-GFCCVEGCSA-N 0 3 315.333 0.945 20 5 DCBDHN COC(=O)[C@@H]1CNCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000592490521 397191149 /nfs/dbraw/zinc/19/11/49/397191149.db2.gz YWHDMUAPNAKFBU-AWEZNQCLSA-N 0 3 323.349 0.811 20 5 DCBDHN CNC(=O)NC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365504145 397288257 /nfs/dbraw/zinc/28/82/57/397288257.db2.gz BILSCFZPDKEBKH-UHFFFAOYSA-N 0 3 324.341 0.274 20 5 DCBDHN C[C@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C ZINC000598893706 397303302 /nfs/dbraw/zinc/30/33/02/397303302.db2.gz BSMTWYSRYZALMO-SNVBAGLBSA-N 0 3 323.353 0.783 20 5 DCBDHN CN(C)CCN(C)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598603734 397256463 /nfs/dbraw/zinc/25/64/63/397256463.db2.gz ZKRBDYKFIKUMCU-UHFFFAOYSA-N 0 3 310.358 0.219 20 5 DCBDHN CN1C[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000574392794 397261622 /nfs/dbraw/zinc/26/16/22/397261622.db2.gz HCWGBNGVQRSQFZ-QWRGUYRKSA-N 0 3 309.322 0.155 20 5 DCBDHN O=[N+]([O-])c1cc2c(cc1CNCCN1CC[C@H](O)C1)OCCO2 ZINC000599019048 397325012 /nfs/dbraw/zinc/32/50/12/397325012.db2.gz PIVZUUQAKXSUEC-LBPRGKRZSA-N 0 3 323.349 0.522 20 5 DCBDHN O=C(CN1CCNCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602500998 397421186 /nfs/dbraw/zinc/42/11/86/397421186.db2.gz SEDKULNYHUOMOS-UHFFFAOYSA-N 0 3 318.377 0.991 20 5 DCBDHN COc1ccc(CNC(=O)CN2CCNCC2)cc1[N+](=O)[O-] ZINC000602445693 397403951 /nfs/dbraw/zinc/40/39/51/397403951.db2.gz SWAHVWAXYXXHFX-UHFFFAOYSA-N 0 3 308.338 0.125 20 5 DCBDHN COCCC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599507272 397461752 /nfs/dbraw/zinc/46/17/52/397461752.db2.gz VCGRKPSOKNVDCC-AWEZNQCLSA-N 0 3 312.370 0.901 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000602810619 397492196 /nfs/dbraw/zinc/49/21/96/397492196.db2.gz HFUREBDPJGOBEY-RYUDHWBXSA-N 0 3 311.386 0.487 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594198155 397512048 /nfs/dbraw/zinc/51/20/48/397512048.db2.gz DOJFLKYZCITRMN-VXGBXAGGSA-N 0 3 307.354 0.924 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000579375658 397562658 /nfs/dbraw/zinc/56/26/58/397562658.db2.gz QBTYSLDFNYYNQY-PWSUYJOCSA-N 0 3 318.333 0.287 20 5 DCBDHN Cc1nn(C)cc1[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579746019 397592062 /nfs/dbraw/zinc/59/20/62/397592062.db2.gz JGSLWZLOTLOHIK-BXKDBHETSA-N 0 3 308.342 0.545 20 5 DCBDHN Cc1nn(C)cc1[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579746024 397592108 /nfs/dbraw/zinc/59/21/08/397592108.db2.gz JGSLWZLOTLOHIK-SKDRFNHKSA-N 0 3 308.342 0.545 20 5 DCBDHN CN(C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)cn1 ZINC000604511301 397641708 /nfs/dbraw/zinc/64/17/08/397641708.db2.gz QYFVHLBZWWSWDG-UHFFFAOYSA-N 0 3 306.326 0.944 20 5 DCBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000152459919 158348845 /nfs/dbraw/zinc/34/88/45/158348845.db2.gz QKBVMQQKCUGAFG-UHFFFAOYSA-N 0 3 310.354 0.627 20 5 DCBDHN C[C@@H](CN)N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420291880 287286401 /nfs/dbraw/zinc/28/64/01/287286401.db2.gz OGSCGMOLZZYUIQ-JTQLQIEISA-N 0 3 301.368 0.648 20 5 DCBDHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164724 415274537 /nfs/dbraw/zinc/27/45/37/415274537.db2.gz WPCJYGVEHOGCHY-VNHYZAJKSA-N 0 3 323.397 0.711 20 5 DCBDHN CC(=O)N1CC[C@H](CN(C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090589668 415529998 /nfs/dbraw/zinc/52/99/98/415529998.db2.gz KXNCJSYCBPEXNV-CYBMUJFWSA-N 0 3 322.365 0.557 20 5 DCBDHN C[C@@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCN1C ZINC000343433712 415598343 /nfs/dbraw/zinc/59/83/43/415598343.db2.gz GSXWOAWNPUGBIT-ZYHUDNBSSA-N 0 3 308.338 0.355 20 5 DCBDHN CN(C)[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1O ZINC000292350143 415841592 /nfs/dbraw/zinc/84/15/92/415841592.db2.gz ODMQCEFSVVQDCJ-KBPBESRZSA-N 0 3 320.349 0.591 20 5 DCBDHN COc1c(C(=O)NC[C@@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000356786509 415987822 /nfs/dbraw/zinc/98/78/22/415987822.db2.gz XMLVPTSKMCSMQJ-AWEZNQCLSA-N 0 3 309.322 0.400 20 5 DCBDHN Cc1ccc(NC(=O)C(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000357577955 416098270 /nfs/dbraw/zinc/09/82/70/416098270.db2.gz BNVMGXMXCMUWOH-SNVBAGLBSA-N 0 3 308.338 0.908 20 5 DCBDHN CN(C)CCN(Cc1ccco1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000176177146 416120739 /nfs/dbraw/zinc/12/07/39/416120739.db2.gz QFRBZXJRXMDFOU-UHFFFAOYSA-N 0 3 321.337 0.975 20 5 DCBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345859311 416159762 /nfs/dbraw/zinc/15/97/62/416159762.db2.gz SCURFTQCNSHRFO-LBPRGKRZSA-N 0 3 323.397 0.689 20 5 DCBDHN COc1cc(C(=O)NC[C@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1C ZINC000359759925 416357492 /nfs/dbraw/zinc/35/74/92/416357492.db2.gz SWQWWQAXVHIUSF-OAHLLOKOSA-N 0 3 323.349 0.708 20 5 DCBDHN Cn1ncc2c1CCC[C@@H]2NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583435431 416463214 /nfs/dbraw/zinc/46/32/14/416463214.db2.gz CFSHCKPZZYVHGG-YPMHNXCESA-N 0 3 320.353 0.553 20 5 DCBDHN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CN2CCN1CCC2 ZINC000535005520 416511077 /nfs/dbraw/zinc/51/10/77/416511077.db2.gz YPIJICWJGVHZBD-CQSZACIVSA-N 0 3 304.350 0.601 20 5 DCBDHN CNc1nccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000584359495 416514002 /nfs/dbraw/zinc/51/40/02/416514002.db2.gz DTIHNWZZNWMTFZ-ZJUUUORDSA-N 0 3 319.365 1.387 20 5 DCBDHN CC(C)(C(=O)NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423992595 416601976 /nfs/dbraw/zinc/60/19/76/416601976.db2.gz OWZZBEGPKNPPJS-ZDUSSCGKSA-N 0 3 307.350 0.977 20 5 DCBDHN CC[C@H](C)N(C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000439076366 416607091 /nfs/dbraw/zinc/60/70/91/416607091.db2.gz IXCWTRGEFPWFLP-NSHDSACASA-N 0 3 310.354 0.603 20 5 DCBDHN CNc1ccc(C(=O)Nc2nn(C)c(C)c2CN)cc1[N+](=O)[O-] ZINC000595962413 416574656 /nfs/dbraw/zinc/57/46/56/416574656.db2.gz QZFZHWSEKFENFA-UHFFFAOYSA-N 0 3 318.337 1.389 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516937926 416760529 /nfs/dbraw/zinc/76/05/29/416760529.db2.gz GTDGZHKZRCKHCW-KGLIPLIRSA-N 0 3 304.350 0.647 20 5 DCBDHN CN1CCC(n2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])n2)CC1 ZINC000428328760 416886084 /nfs/dbraw/zinc/88/60/84/416886084.db2.gz ZLONAIFWMWYNOT-UHFFFAOYSA-N 0 3 319.325 1.033 20 5 DCBDHN COc1cccc(C(=O)NCC2(O)CCN(C)CC2)c1[N+](=O)[O-] ZINC000444297207 416830832 /nfs/dbraw/zinc/83/08/32/416830832.db2.gz INIJLRZULOSGJE-UHFFFAOYSA-N 0 3 323.349 0.790 20 5 DCBDHN CN(CC1CCN(C)CC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000565311777 416966442 /nfs/dbraw/zinc/96/64/42/416966442.db2.gz GIQNBHUDGAGRMZ-UHFFFAOYSA-N 0 3 307.354 0.986 20 5 DCBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429789337 416994588 /nfs/dbraw/zinc/99/45/88/416994588.db2.gz RTZLECUVCTTZMV-NWDGAFQWSA-N 0 3 320.349 0.698 20 5 DCBDHN CC[C@@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601226 417140663 /nfs/dbraw/zinc/14/06/63/417140663.db2.gz VVGUCVSBAJNUOG-SNVBAGLBSA-N 0 3 316.383 0.998 20 5 DCBDHN CC[C@@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601226 417140668 /nfs/dbraw/zinc/14/06/68/417140668.db2.gz VVGUCVSBAJNUOG-SNVBAGLBSA-N 0 3 316.383 0.998 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CC[S@@](=O)C2)c1 ZINC000570675361 417381610 /nfs/dbraw/zinc/38/16/10/417381610.db2.gz IEJWNVKQXJDUNX-NNJUXLKUSA-N 0 3 314.363 0.445 20 5 DCBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571226316 417438061 /nfs/dbraw/zinc/43/80/61/417438061.db2.gz NDTLAYQXOHRQDG-AAEUAGOBSA-N 0 3 318.333 0.546 20 5 DCBDHN CN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000576038061 417573920 /nfs/dbraw/zinc/57/39/20/417573920.db2.gz URLWRPIRXIMTPL-NSHDSACASA-N 0 3 308.338 0.075 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000358084471 261628440 /nfs/dbraw/zinc/62/84/40/261628440.db2.gz WNXPLXUGHXVXNI-HNNXBMFYSA-N 0 3 318.333 0.873 20 5 DCBDHN N[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000417909053 262264965 /nfs/dbraw/zinc/26/49/65/262264965.db2.gz JKSATWMMWXAIBJ-CYBMUJFWSA-N 0 3 318.337 0.791 20 5 DCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CNCCO1 ZINC000418768617 262288347 /nfs/dbraw/zinc/28/83/47/262288347.db2.gz PELZEYDSMMSFAX-GFCCVEGCSA-N 0 3 308.338 0.725 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)[C@H](C)CN ZINC000418932953 262299722 /nfs/dbraw/zinc/29/97/22/262299722.db2.gz IEFQFUFGDCFOFL-SECBINFHSA-N 0 3 324.337 0.025 20 5 DCBDHN C[C@H](CN)NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419161823 262315302 /nfs/dbraw/zinc/31/53/02/262315302.db2.gz FHNHYLMTRJHLDG-SSDOTTSWSA-N 0 3 314.729 0.328 20 5 DCBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)CCN)cc1[N+](=O)[O-] ZINC000419264680 271278974 /nfs/dbraw/zinc/27/89/74/271278974.db2.gz DUXWRPLCOPYHRT-SNVBAGLBSA-N 0 3 308.338 0.498 20 5 DCBDHN CO[C@@H]1COC[C@@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459836981 272014779 /nfs/dbraw/zinc/01/47/79/272014779.db2.gz ZTFXMVYIYXJUGV-KWCYVHTRSA-N 0 3 312.322 0.338 20 5 DCBDHN CN1CC[C@]2(CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000488718721 272049122 /nfs/dbraw/zinc/04/91/22/272049122.db2.gz MTYZJCVKTWMZKD-AWEZNQCLSA-N 0 3 305.338 0.621 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000492561458 272135297 /nfs/dbraw/zinc/13/52/97/272135297.db2.gz KGSNVYBKOOIFJX-IYKSTZQJSA-N 0 3 305.334 0.791 20 5 DCBDHN CN1CCC2(CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000365708900 277038594 /nfs/dbraw/zinc/03/85/94/277038594.db2.gz WTHSAICCDMMJRX-UHFFFAOYSA-N 0 3 307.354 0.736 20 5 DCBDHN CO[C@@H](CN)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261980445 277278658 /nfs/dbraw/zinc/27/86/58/277278658.db2.gz AIPQZLOSMJAUBX-ZDUSSCGKSA-N 0 3 308.338 0.217 20 5 DCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cn1 ZINC000552208243 288269296 /nfs/dbraw/zinc/26/92/96/288269296.db2.gz HYBTUEQIJNYRIP-CQSZACIVSA-N 0 3 306.322 0.176 20 5 DCBDHN CC1CCN(C[C@@H](O)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000554861159 288339781 /nfs/dbraw/zinc/33/97/81/288339781.db2.gz UUNVWDMXTKNQIP-JTQLQIEISA-N 0 3 311.342 0.141 20 5 DCBDHN CN1C[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000583199033 337266352 /nfs/dbraw/zinc/26/63/52/337266352.db2.gz VLDCUWCOHYOIIW-SNVBAGLBSA-N 0 3 306.322 0.744 20 5 DCBDHN CN(C)C1(CN(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC000188031327 524034525 /nfs/dbraw/zinc/03/45/25/524034525.db2.gz CEJQSNFAOLNLFW-UHFFFAOYSA-N 0 3 322.365 0.699 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCC(CN3CCOCC3)CC2)c1 ZINC000157947063 527414470 /nfs/dbraw/zinc/41/44/70/527414470.db2.gz ZWLVDVPMAZCZSZ-UHFFFAOYSA-N 0 3 323.397 0.836 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCN(C)CCO)c1 ZINC000894590833 661985191 /nfs/dbraw/zinc/98/51/91/661985191.db2.gz NASUNHKCRFOGME-UHFFFAOYSA-N 0 3 311.338 0.742 20 5 DCBDHN O=C(N[C@H]1C[C@H](CNCc2cnsn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983655322 662000495 /nfs/dbraw/zinc/00/04/95/662000495.db2.gz SKXMQNLOFXEJNH-YJFSRANCSA-N 0 3 311.367 0.188 20 5 DCBDHN CN1CCC(N(CCO)C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000911941822 664124413 /nfs/dbraw/zinc/12/44/13/664124413.db2.gz JBGKGALCZNXOKQ-UHFFFAOYSA-N 0 3 301.387 0.737 20 5 DCBDHN CN(CCO)CCN(C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000912598070 664189780 /nfs/dbraw/zinc/18/97/80/664189780.db2.gz ACLGYFYHMOLZBN-UHFFFAOYSA-N 0 3 313.329 0.659 20 5 DCBDHN CN1CC[C@@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000841523349 667689679 /nfs/dbraw/zinc/68/96/79/667689679.db2.gz BDXPWXURQXOZGF-QMMMGPOBSA-N 0 3 305.381 0.886 20 5 DCBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000762720857 668374086 /nfs/dbraw/zinc/37/40/86/668374086.db2.gz DLKZJTNSCBNNNT-HNNXBMFYSA-N 0 3 322.365 0.457 20 5 DCBDHN CO[C@H]1COCC[C@@H]1N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000880433559 669210581 /nfs/dbraw/zinc/21/05/81/669210581.db2.gz OXSCHLPHMARBOS-STQMWFEESA-N 0 3 311.338 0.492 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000932536988 669381650 /nfs/dbraw/zinc/38/16/50/669381650.db2.gz WVVBMMYHUNEQFF-GFCCVEGCSA-N 0 3 307.354 0.652 20 5 DCBDHN CC(COC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)[N+](=O)[O-] ZINC000813112935 670613002 /nfs/dbraw/zinc/61/30/02/670613002.db2.gz MITDLMKRBVMGNA-CABZTGNLSA-N 0 3 320.305 0.315 20 5 DCBDHN O=C1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819132299 671097631 /nfs/dbraw/zinc/09/76/31/671097631.db2.gz VUYFAMXLEQAAFV-FZMZJTMJSA-N 0 3 305.334 0.981 20 5 DCBDHN O=C1C[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000819131864 671097712 /nfs/dbraw/zinc/09/77/12/671097712.db2.gz QLNJDGXZOBHOGS-BXUZGUMPSA-N 0 3 305.334 0.981 20 5 DCBDHN CN1C(=O)CC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819384396 671115705 /nfs/dbraw/zinc/11/57/05/671115705.db2.gz YFSQVHWVTJQUMS-RYUDHWBXSA-N 0 3 307.306 0.365 20 5 DCBDHN CN(CCO)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829750683 671587799 /nfs/dbraw/zinc/58/77/99/671587799.db2.gz TVXZOFIHNHJAEF-UONOGXRCSA-N 0 3 307.350 0.739 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H](O)C(F)(F)F ZINC000843061625 672057902 /nfs/dbraw/zinc/05/79/02/672057902.db2.gz AJENWNBFQUEOHN-KWQFWETISA-N 0 3 324.255 0.847 20 5 DCBDHN CCOC(=O)C[C@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074677 672059613 /nfs/dbraw/zinc/05/96/13/672059613.db2.gz HTKFBHPDRFZSQP-DGCLKSJQSA-N 0 3 312.322 0.532 20 5 DCBDHN O=C1[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1CCO ZINC000843103953 672061598 /nfs/dbraw/zinc/06/15/98/672061598.db2.gz FHPACVRZYGFWKK-KGLIPLIRSA-N 0 3 323.349 0.201 20 5 DCBDHN O=C1[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1CCO ZINC000843103952 672062042 /nfs/dbraw/zinc/06/20/42/672062042.db2.gz FHPACVRZYGFWKK-KBPBESRZSA-N 0 3 323.349 0.201 20 5 DCBDHN COCC[C@H](N)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001573976358 1163615123 /nfs/dbraw/zinc/61/51/23/1163615123.db2.gz QCASSQVHUQJUQW-ZDUSSCGKSA-N 0 3 309.322 0.548 20 5 DCBDHN Nc1ncc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC001583990103 1166298024 /nfs/dbraw/zinc/29/80/24/1166298024.db2.gz XJDLDIJIDHXBPS-GHMZBOCLSA-N 0 3 321.337 0.165 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001609602673 1171040884 /nfs/dbraw/zinc/04/08/84/1171040884.db2.gz CFKPMXTWVBMTDP-RKDXNWHRSA-N 0 3 301.310 0.431 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001609602673 1171040891 /nfs/dbraw/zinc/04/08/91/1171040891.db2.gz CFKPMXTWVBMTDP-RKDXNWHRSA-N 0 3 301.310 0.431 20 5 DCBDHN CN(CCNC(=O)c1cccc([N+](=O)[O-])c1)CCOCCO ZINC001633122908 1171634345 /nfs/dbraw/zinc/63/43/45/1171634345.db2.gz NZPKKBMDOJQDEZ-UHFFFAOYSA-N 0 3 311.338 0.265 20 5 DCBDHN Cc1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001640128891 1171867663 /nfs/dbraw/zinc/86/76/63/1171867663.db2.gz YDCRZRDPQGPVCQ-QWRGUYRKSA-N 0 3 323.353 0.298 20 5 DCBDHN Cc1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001640128891 1171867669 /nfs/dbraw/zinc/86/76/69/1171867669.db2.gz YDCRZRDPQGPVCQ-QWRGUYRKSA-N 0 3 323.353 0.298 20 5 DCBDHN COC[C@@]1(CO)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001643116752 1171966005 /nfs/dbraw/zinc/96/60/05/1171966005.db2.gz CJIDQPORJCNLBI-GJZGRUSLSA-N 0 3 310.350 0.959 20 5 DCBDHN CN1C(=O)[C@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1=O ZINC001644189554 1171998917 /nfs/dbraw/zinc/99/89/17/1171998917.db2.gz AMTMXJVQLAHEPF-XQQFMLRXSA-N 0 3 319.317 0.175 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001647773646 1173054937 /nfs/dbraw/zinc/05/49/37/1173054937.db2.gz ZGTIOFAVVYAEJQ-SNVBAGLBSA-N 0 3 321.333 0.806 20 5 DCBDHN CN1CCC[C@H]2[C@H]1CCN2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001651383832 1173748485 /nfs/dbraw/zinc/74/84/85/1173748485.db2.gz PFQVKJOZUFMSBD-MNOVXSKESA-N 0 3 305.338 0.762 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccnnc1 ZINC001167283478 747056049 /nfs/dbraw/zinc/05/60/49/747056049.db2.gz GAJIBOWJFSQGPF-UHFFFAOYSA-N 0 3 319.325 0.028 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CN(CC3CCCC3)C2)C1 ZINC001053253392 755975724 /nfs/dbraw/zinc/97/57/24/755975724.db2.gz IMNLBSHNFDYUTH-ZIAGYGMSSA-N 0 3 323.393 0.755 20 5 DCBDHN O=C(NCc1ccc2c(c1)CN(CCO)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001054265671 756420400 /nfs/dbraw/zinc/42/04/00/756420400.db2.gz VKBJERQFHJBVQW-ZIAGYGMSSA-N 0 3 305.334 0.276 20 5 DCBDHN Cc1nonc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086082957 759691089 /nfs/dbraw/zinc/69/10/89/759691089.db2.gz JCKHJBMTACNBTF-DTHBNOIPSA-N 0 3 309.326 0.028 20 5 DCBDHN CNS(=O)(=O)c1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC001122968468 767904214 /nfs/dbraw/zinc/90/42/14/767904214.db2.gz PCGZJVKVPPDCKV-VIFPVBQESA-N 0 3 316.335 0.346 20 5 DCBDHN CN1CCN(CCCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001135877709 766149998 /nfs/dbraw/zinc/14/99/98/766149998.db2.gz NHZACVHZXCZHLW-UHFFFAOYSA-N 0 3 300.403 0.576 20 5 DCBDHN CN(c1ccc2cccc([N+](=O)[O-])c2n1)S(=O)(=O)CCN ZINC001156236037 770758854 /nfs/dbraw/zinc/75/88/54/770758854.db2.gz BOFDTZYTTFQOPU-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN O=C(NCCCNCc1ncc(C2CC2)o1)[C@@H]1CC1[N+](=O)[O-] ZINC001157760299 771664725 /nfs/dbraw/zinc/66/47/25/771664725.db2.gz AYLNUJNMRDCOHB-GHMZBOCLSA-N 0 3 308.338 0.813 20 5 DCBDHN C[C@@H](Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159501757 771920158 /nfs/dbraw/zinc/92/01/58/771920158.db2.gz XJGSWHFIGZYDNY-APPZFPTMSA-N 0 3 302.718 0.670 20 5 DCBDHN CN(c1ncc2cccc([N+](=O)[O-])c2n1)S(=O)(=O)CCN ZINC001164292312 772638329 /nfs/dbraw/zinc/63/83/29/772638329.db2.gz IWJSUROFVQAGKA-UHFFFAOYSA-N 0 3 311.323 0.263 20 5 DCBDHN COc1nc(C)c(N(C)S(=O)(=O)CCN)cc1[N+](=O)[O-] ZINC001164296792 772640659 /nfs/dbraw/zinc/64/06/59/772640659.db2.gz PSIAAEQFASOWMS-UHFFFAOYSA-N 0 3 304.328 0.032 20 5 DCBDHN CS(=O)(=O)N(c1cnc2ccc([N+](=O)[O-])cc2n1)C1CNC1 ZINC001166966837 772892204 /nfs/dbraw/zinc/89/22/04/772892204.db2.gz JJCQIKVBBUNEEW-UHFFFAOYSA-N 0 3 323.334 0.276 20 5 DCBDHN CCON(CC)C(=O)CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001206688656 773099152 /nfs/dbraw/zinc/09/91/52/773099152.db2.gz CQZJJKMYCMAMEP-UHFFFAOYSA-N 0 3 311.342 0.884 20 5 DCBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ccc[nH]1 ZINC001483452548 942364735 /nfs/dbraw/zinc/36/47/35/942364735.db2.gz ZXYNIYFJCDLYRT-UHFFFAOYSA-N 0 3 320.353 0.908 20 5 DCBDHN O=C(NCC1(NCc2cc(C3CC3)no2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001277055412 944643882 /nfs/dbraw/zinc/64/38/82/944643882.db2.gz POPCWAJSIOCZGP-DGCLKSJQSA-N 0 3 320.349 0.956 20 5 DCBDHN C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC001253411498 946119212 /nfs/dbraw/zinc/11/92/12/946119212.db2.gz IXNALSDFXYSIAR-JTQLQIEISA-N 0 3 308.338 0.355 20 5 DCBDHN CCN(CCCNC(=O)C(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001265131163 949342456 /nfs/dbraw/zinc/34/24/56/949342456.db2.gz PAAQXSRTQWKIRB-UHFFFAOYSA-N 0 3 308.338 0.408 20 5 DCBDHN CC[C@H](C)N1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001338015399 952947491 /nfs/dbraw/zinc/94/74/91/952947491.db2.gz MSIBGQFAMIPVER-LBPRGKRZSA-N 0 3 310.402 0.945 20 5 DCBDHN Cc1n[nH]c(C(=O)NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC001468315820 1016242637 /nfs/dbraw/zinc/24/26/37/1016242637.db2.gz GWLNZSYATFNQED-SNVBAGLBSA-N 0 3 311.342 0.203 20 5 DCBDHN O=C(CCN1CC[C@@H](O)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001560074345 1012440034 /nfs/dbraw/zinc/44/00/34/1012440034.db2.gz RHKPKOBTOVWJDY-OLZOCXBDSA-N 0 3 309.322 0.351 20 5 DCBDHN CC[C@@]1(CO)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187519021 529552447 /nfs/dbraw/zinc/55/24/47/529552447.db2.gz PYIFDUICIIXYCZ-UONOGXRCSA-N 0 3 312.370 0.637 20 5 DCBDHN Nc1nccc(C(=O)NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000519619307 412521672 /nfs/dbraw/zinc/52/16/72/412521672.db2.gz WACSYMODGZKEHS-JTQLQIEISA-N 0 3 323.353 0.149 20 5 DCBDHN CC(C)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315297053 291253290 /nfs/dbraw/zinc/25/32/90/291253290.db2.gz OVYCHQZVHNFZDT-UHFFFAOYSA-N 0 3 307.354 0.636 20 5 DCBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000420482744 240040477 /nfs/dbraw/zinc/04/04/77/240040477.db2.gz UYYCKZDTVIKGRD-SNVBAGLBSA-N 0 3 315.351 0.170 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000275420842 212322840 /nfs/dbraw/zinc/32/28/40/212322840.db2.gz MPDBGXTWORAOLI-UHFFFAOYSA-N 0 3 324.337 0.562 20 5 DCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420067709 240013904 /nfs/dbraw/zinc/01/39/04/240013904.db2.gz SVSWDKMEEFDUFF-LBPRGKRZSA-N 0 3 320.349 0.407 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@H]([NH3+])C1 ZINC000479793385 241075968 /nfs/dbraw/zinc/07/59/68/241075968.db2.gz QIIBTFNKAXCQPR-ZKCHVHJHSA-N 0 3 301.324 0.371 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(C2CC2)C1 ZINC000489918126 241101593 /nfs/dbraw/zinc/10/15/93/241101593.db2.gz MHLDLOPTWXWCSE-SNVBAGLBSA-N 0 3 308.342 0.327 20 5 DCBDHN CCN(C)CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272892395 210280863 /nfs/dbraw/zinc/28/08/63/210280863.db2.gz JXGVEDGKSAGYDN-UHFFFAOYSA-N 0 3 302.356 0.606 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347304954 254146384 /nfs/dbraw/zinc/14/63/84/254146384.db2.gz POHUSHISHAYPPO-ZDUSSCGKSA-N 0 3 312.301 0.922 20 5 DCBDHN O=C(CCOC1CNC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000349012354 254269304 /nfs/dbraw/zinc/26/93/04/254269304.db2.gz ZFDPVBOLMCUGAM-UHFFFAOYSA-N 0 3 305.334 0.858 20 5 DCBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000042773484 395748584 /nfs/dbraw/zinc/74/85/84/395748584.db2.gz VCLIWPIFIWCCQB-UHFFFAOYSA-N 0 3 310.354 0.945 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000052093309 395859419 /nfs/dbraw/zinc/85/94/19/395859419.db2.gz WYLOODULZHWKLY-SSDOTTSWSA-N 0 3 305.743 0.888 20 5 DCBDHN COc1ccc(NC(=O)CCN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000114194338 395833004 /nfs/dbraw/zinc/83/30/04/395833004.db2.gz JQCYWHPHPYDLFV-JTQLQIEISA-N 0 3 309.322 0.999 20 5 DCBDHN CN1CCN(CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272482649 395894389 /nfs/dbraw/zinc/89/43/89/395894389.db2.gz QVDORDPNKUKXIJ-UHFFFAOYSA-N 0 3 321.381 0.544 20 5 DCBDHN NC(=O)[C@H](Cc1ccccc1)NCCn1cc([N+](=O)[O-])cn1 ZINC000273497600 395925349 /nfs/dbraw/zinc/92/53/49/395925349.db2.gz XUOYDNQEJJPQQI-ZDUSSCGKSA-N 0 3 303.322 0.478 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000247019314 395964619 /nfs/dbraw/zinc/96/46/19/395964619.db2.gz OYLNKPSOHHEUAC-WCQYABFASA-N 0 3 320.353 0.755 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCC1(O)CCN(C)CC1 ZINC000277159722 396052678 /nfs/dbraw/zinc/05/26/78/396052678.db2.gz QQWYMXLAOVIZMY-UHFFFAOYSA-N 0 3 323.349 0.790 20 5 DCBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000159168889 396065622 /nfs/dbraw/zinc/06/56/22/396065622.db2.gz CSFFPYQZVWMWJZ-UHFFFAOYSA-N 0 3 302.294 0.675 20 5 DCBDHN C[C@@H]1SCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000075749086 396186521 /nfs/dbraw/zinc/18/65/21/396186521.db2.gz CZVSPKSRGVHIHU-NHCYSSNCSA-N 0 3 300.384 0.978 20 5 DCBDHN O=C1NC(=O)[C@@]2(CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000192659015 396434522 /nfs/dbraw/zinc/43/45/22/396434522.db2.gz OCMAJCRNNBFOJD-HNNXBMFYSA-N 0 3 318.333 0.811 20 5 DCBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596063931 396713051 /nfs/dbraw/zinc/71/30/51/396713051.db2.gz ZPWUFUVAWADOPJ-UHFFFAOYSA-N 0 3 321.381 0.743 20 5 DCBDHN Cc1n[n-]c(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600105308 396738795 /nfs/dbraw/zinc/73/87/95/396738795.db2.gz KDPUGCUNYDSFJW-UHFFFAOYSA-N 0 3 323.353 0.563 20 5 DCBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](CO)CN1CCCC1 ZINC000590371723 396764420 /nfs/dbraw/zinc/76/44/20/396764420.db2.gz DMXLZIQEZVXCAQ-GFCCVEGCSA-N 0 3 323.349 0.547 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CC[NH3+] ZINC000313041773 396768019 /nfs/dbraw/zinc/76/80/19/396768019.db2.gz RLMJPWYXSZWQHR-MRVPVSSYSA-N 0 3 303.340 0.619 20 5 DCBDHN Cc1nn(C)c(C)c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000316712207 396797821 /nfs/dbraw/zinc/79/78/21/396797821.db2.gz KHMCFIRIKCUZBR-LBPRGKRZSA-N 0 3 308.342 0.292 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000564841610 396880420 /nfs/dbraw/zinc/88/04/20/396880420.db2.gz SDEJXBSAVPLMKE-NSHDSACASA-N 0 3 309.322 0.712 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597653790 397046361 /nfs/dbraw/zinc/04/63/61/397046361.db2.gz MJMYOCCOADRUDN-JTQLQIEISA-N 0 3 307.306 0.993 20 5 DCBDHN CCN1C[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000573676559 397193760 /nfs/dbraw/zinc/19/37/60/397193760.db2.gz GJUJOLLCFOHOER-RYUDHWBXSA-N 0 3 323.349 0.545 20 5 DCBDHN COc1ccccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000386757148 397289374 /nfs/dbraw/zinc/28/93/74/397289374.db2.gz FTNZVYQFHIRUOG-CYBMUJFWSA-N 0 3 306.322 0.951 20 5 DCBDHN Cn1c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938621 397546095 /nfs/dbraw/zinc/54/60/95/397546095.db2.gz QXIWQUQSVFRUEE-QWRGUYRKSA-N 0 3 308.338 0.214 20 5 DCBDHN COc1cc([N+](=O)[O-])cn(CCCN2CCN(C)CC2)c1=O ZINC000603358981 397601003 /nfs/dbraw/zinc/60/10/03/397601003.db2.gz LAIOFICZDMFVCV-UHFFFAOYSA-N 0 3 310.354 0.403 20 5 DCBDHN CCN(CC)CC(=O)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609143699 397762446 /nfs/dbraw/zinc/76/24/46/397762446.db2.gz NZDYNWIQAWMCPP-UHFFFAOYSA-N 0 3 321.381 0.980 20 5 DCBDHN CC(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)S(C)(=O)=O ZINC000088231563 158093500 /nfs/dbraw/zinc/09/35/00/158093500.db2.gz OXHKODUCCAMXCP-SECBINFHSA-N 0 3 312.347 0.913 20 5 DCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000323071824 159012638 /nfs/dbraw/zinc/01/26/38/159012638.db2.gz ONDBGLYCFMFMQU-GXSJLCMTSA-N 0 3 321.337 0.165 20 5 DCBDHN CN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000132837541 287007015 /nfs/dbraw/zinc/00/70/15/287007015.db2.gz QXZYSPIYCYXSDS-GFCCVEGCSA-N 0 3 312.757 0.963 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000332154975 415272534 /nfs/dbraw/zinc/27/25/34/415272534.db2.gz RFNVYMDZQZEUNG-LLVKDONJSA-N 0 3 308.342 0.273 20 5 DCBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000344478123 415925859 /nfs/dbraw/zinc/92/58/59/415925859.db2.gz WRJVFUMICIGINU-LLVKDONJSA-N 0 3 309.370 0.679 20 5 DCBDHN C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN(C2CCC2)C1 ZINC000344693344 415972372 /nfs/dbraw/zinc/97/23/72/415972372.db2.gz JDOAECYZOFEQBC-LLVKDONJSA-N 0 3 322.369 0.519 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000174875706 416089124 /nfs/dbraw/zinc/08/91/24/416089124.db2.gz NZMNXVMMKZXNHY-ZDUSSCGKSA-N 0 3 309.370 0.445 20 5 DCBDHN Nc1nc(NC2CCN([C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000301741738 416091069 /nfs/dbraw/zinc/09/10/69/416091069.db2.gz YGLMAHUXLCHFMQ-SNVBAGLBSA-N 0 3 308.342 0.632 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)CN ZINC000415414584 416341810 /nfs/dbraw/zinc/34/18/10/416341810.db2.gz FYWBAQDXUIXCCF-SECBINFHSA-N 0 3 324.337 0.738 20 5 DCBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)CN ZINC000415415217 416342498 /nfs/dbraw/zinc/34/24/98/416342498.db2.gz HOKATXWBJMLLFD-SECBINFHSA-N 0 3 308.338 0.901 20 5 DCBDHN Cc1c(CNC(=O)NC[C@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000359553206 416350276 /nfs/dbraw/zinc/35/02/76/416350276.db2.gz RGKFEHKFIKXXTE-OAHLLOKOSA-N 0 3 322.365 0.769 20 5 DCBDHN O=C(CN[C@H](CO)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000359875744 416363813 /nfs/dbraw/zinc/36/38/13/416363813.db2.gz NWBAECFOOQBGOJ-CYBMUJFWSA-N 0 3 323.349 0.910 20 5 DCBDHN CN(C)C[C@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000532677771 416449557 /nfs/dbraw/zinc/44/95/57/416449557.db2.gz RTZBGQYBDNWXMO-GFCCVEGCSA-N 0 3 322.365 0.699 20 5 DCBDHN O=C(NC[C@H]1NCCc2ccccc21)c1[nH]ncc1[N+](=O)[O-] ZINC000423668999 416535791 /nfs/dbraw/zinc/53/57/91/416535791.db2.gz KVDVOLBEPMEUQD-LLVKDONJSA-N 0 3 301.306 0.935 20 5 DCBDHN CNc1nccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000584359492 416513557 /nfs/dbraw/zinc/51/35/57/416513557.db2.gz DTIHNWZZNWMTFZ-NXEZZACHSA-N 0 3 319.365 1.387 20 5 DCBDHN N[C@H](CC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423904018 416585472 /nfs/dbraw/zinc/58/54/72/416585472.db2.gz NRMLKPGQBPGWGM-CYBMUJFWSA-N 0 3 303.322 0.998 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000366448461 416626023 /nfs/dbraw/zinc/62/60/23/416626023.db2.gz VBMQHXKFAHDCRH-SPWCGHHHSA-N 0 3 308.334 0.505 20 5 DCBDHN O=C(CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000559292617 416810802 /nfs/dbraw/zinc/81/08/02/416810802.db2.gz GQYBRJHANSHTMS-CYBMUJFWSA-N 0 3 323.349 0.547 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(C2CCOCC2)CC1 ZINC000370044230 416870313 /nfs/dbraw/zinc/87/03/13/416870313.db2.gz AHADBEOMHXHXNB-UHFFFAOYSA-N 0 3 309.370 0.625 20 5 DCBDHN O=C(C[C@H]1CNCCO1)NCCNc1ccccc1[N+](=O)[O-] ZINC000429776890 416997539 /nfs/dbraw/zinc/99/75/39/416997539.db2.gz UYBFPVNMSCCVJI-NSHDSACASA-N 0 3 308.338 0.501 20 5 DCBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@@H]21 ZINC000452111722 417453149 /nfs/dbraw/zinc/45/31/49/417453149.db2.gz VNFRUQUIFKBJAX-FRRDWIJNSA-N 0 3 310.354 0.509 20 5 DCBDHN CN1CC[C@@]2(CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)C1 ZINC000572854685 417462128 /nfs/dbraw/zinc/46/21/28/417462128.db2.gz KDVNYOWKTMBPNG-CQSZACIVSA-N 0 3 305.338 0.740 20 5 DCBDHN CNc1nc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000456164830 417628234 /nfs/dbraw/zinc/62/82/34/417628234.db2.gz KPNTUQAOXDQSGV-JOYOIKCWSA-N 0 3 305.338 0.808 20 5 DCBDHN COCCNCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417238684 262248466 /nfs/dbraw/zinc/24/84/66/262248466.db2.gz YTAALPMRGADEOP-UHFFFAOYSA-N 0 3 310.354 0.673 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000418932955 262299729 /nfs/dbraw/zinc/29/97/29/262299729.db2.gz IEFQFUFGDCFOFL-VIFPVBQESA-N 0 3 324.337 0.025 20 5 DCBDHN CN(C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000359499770 271121891 /nfs/dbraw/zinc/12/18/91/271121891.db2.gz DYNTUAXKBKFRLK-UHFFFAOYSA-N 0 3 306.326 0.944 20 5 DCBDHN O=C1OCCN1C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000495870155 272279154 /nfs/dbraw/zinc/27/91/54/272279154.db2.gz SUDHTIJJCWINPK-LLVKDONJSA-N 0 3 309.326 0.565 20 5 DCBDHN CC(=O)N1CC[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000516276916 272433540 /nfs/dbraw/zinc/43/35/40/272433540.db2.gz QHRGZQLGIUUFMM-OLZOCXBDSA-N 0 3 323.349 0.545 20 5 DCBDHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285430595 277494739 /nfs/dbraw/zinc/49/47/39/277494739.db2.gz WMLUPZKPHALDHC-UHFFFAOYSA-N 0 3 311.342 0.549 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C[C@@H]1O ZINC000564583628 288751796 /nfs/dbraw/zinc/75/17/96/288751796.db2.gz DYAZGDCBGQPJLN-STQMWFEESA-N 0 3 318.333 0.823 20 5 DCBDHN CN1CC[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000564724202 288762358 /nfs/dbraw/zinc/76/23/58/288762358.db2.gz ZAHFZSIOZIEBLM-WDEREUQCSA-N 0 3 309.322 0.155 20 5 DCBDHN CCn1cc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000583020351 337225818 /nfs/dbraw/zinc/22/58/18/337225818.db2.gz WBMPGPJKXOIJIL-GXFFZTMASA-N 0 3 308.342 0.719 20 5 DCBDHN C[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161587429 524816760 /nfs/dbraw/zinc/81/67/60/524816760.db2.gz AJTPHSGLVGFWPM-JTQLQIEISA-N 0 3 306.322 0.226 20 5 DCBDHN C[NH+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736757952 598828532 /nfs/dbraw/zinc/82/85/32/598828532.db2.gz AOAGBIPDJRUVAG-VIFPVBQESA-N 0 3 318.341 0.558 20 5 DCBDHN C[NH+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736757952 598828534 /nfs/dbraw/zinc/82/85/34/598828534.db2.gz AOAGBIPDJRUVAG-VIFPVBQESA-N 0 3 318.341 0.558 20 5 DCBDHN C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825856588 607737676 /nfs/dbraw/zinc/73/76/76/607737676.db2.gz XVSALZCUXPJNBN-CYBMUJFWSA-N 0 3 321.341 0.499 20 5 DCBDHN C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825856588 607737677 /nfs/dbraw/zinc/73/76/77/607737677.db2.gz XVSALZCUXPJNBN-CYBMUJFWSA-N 0 3 321.341 0.499 20 5 DCBDHN CN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000899736536 663184586 /nfs/dbraw/zinc/18/45/86/663184586.db2.gz JDOHJTKXSDJGIL-UHFFFAOYSA-N 0 3 301.730 0.902 20 5 DCBDHN Cn1nccc1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002783946 666221257 /nfs/dbraw/zinc/22/12/57/666221257.db2.gz WRXREFUQMMELAI-CHWSQXEVSA-N 0 3 307.354 0.166 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869814111 667684631 /nfs/dbraw/zinc/68/46/31/667684631.db2.gz TYJWZSBEGBOZRN-ZIAGYGMSSA-N 0 3 301.346 0.996 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000885859920 667713021 /nfs/dbraw/zinc/71/30/21/667713021.db2.gz CZAMMKCVNOUNQN-GFCCVEGCSA-N 0 3 322.365 0.916 20 5 DCBDHN Cn1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000747232054 667897821 /nfs/dbraw/zinc/89/78/21/667897821.db2.gz QBIUBCDSESKHCG-MNOVXSKESA-N 0 3 308.338 0.526 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000808169681 670394863 /nfs/dbraw/zinc/39/48/63/670394863.db2.gz DKYJQNRXFCEDNV-SECBINFHSA-N 0 3 312.282 0.155 20 5 DCBDHN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1O ZINC000854455922 670568741 /nfs/dbraw/zinc/56/87/41/670568741.db2.gz QWLVLHCHNMANTA-SGIHWFKDSA-N 0 3 322.321 0.532 20 5 DCBDHN CC(COC(=O)Cn1cc(C(N)=O)c2ccccc21)[N+](=O)[O-] ZINC000813109506 670612062 /nfs/dbraw/zinc/61/20/62/670612062.db2.gz JZRDDFBNRQDTMY-SECBINFHSA-N 0 3 305.290 0.949 20 5 DCBDHN COCCN(C)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825615322 671467951 /nfs/dbraw/zinc/46/79/51/671467951.db2.gz REZUOFGTODMFCF-ZDUSSCGKSA-N 0 3 311.338 0.323 20 5 DCBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)CCO ZINC000829756793 671588035 /nfs/dbraw/zinc/58/80/35/671588035.db2.gz VVJUWLZRIWQULF-UHFFFAOYSA-N 0 3 313.379 0.971 20 5 DCBDHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001699531973 1157348272 /nfs/dbraw/zinc/34/82/72/1157348272.db2.gz CJHXCEDZUSSFRY-UHFFFAOYSA-N 0 3 300.340 0.080 20 5 DCBDHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001573717728 1163539662 /nfs/dbraw/zinc/53/96/62/1163539662.db2.gz HJJCARCQHJUSFE-NWDGAFQWSA-N 0 3 322.365 0.746 20 5 DCBDHN C[C@](N)(C(=O)NCCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576081191 1164233018 /nfs/dbraw/zinc/23/30/18/1164233018.db2.gz KLUDDURPKPBFFQ-OAHLLOKOSA-N 0 3 306.366 0.981 20 5 DCBDHN C[C@@]1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CNCCO1 ZINC001576509967 1164371943 /nfs/dbraw/zinc/37/19/43/1164371943.db2.gz PGCUCDBBAOLQDO-HNNXBMFYSA-N 0 3 322.365 0.892 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN[C@H](CCO)C2)c1 ZINC001578875128 1165147273 /nfs/dbraw/zinc/14/72/73/1165147273.db2.gz VOEARUUCRZPGHF-LLVKDONJSA-N 0 3 309.322 0.542 20 5 DCBDHN C[N@@H+]1CC[C@](O)(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591180696 1167132878 /nfs/dbraw/zinc/13/28/78/1167132878.db2.gz PURGWTVDNYXULO-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@](O)(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591180696 1167132881 /nfs/dbraw/zinc/13/28/81/1167132881.db2.gz PURGWTVDNYXULO-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@@H+]1CC[C@](O)(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591180696 1167132886 /nfs/dbraw/zinc/13/28/86/1167132886.db2.gz PURGWTVDNYXULO-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@](O)(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591180696 1167132893 /nfs/dbraw/zinc/13/28/93/1167132893.db2.gz PURGWTVDNYXULO-ZDUSSCGKSA-N 0 3 319.325 0.253 20 5 DCBDHN CC(C)[C@H](CO)[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603386925 1169304575 /nfs/dbraw/zinc/30/45/75/1169304575.db2.gz YLRUXWAKAWCTJO-NSHDSACASA-N 0 3 306.326 0.881 20 5 DCBDHN CC(C)[C@H](CO)[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603386925 1169304584 /nfs/dbraw/zinc/30/45/84/1169304584.db2.gz YLRUXWAKAWCTJO-NSHDSACASA-N 0 3 306.326 0.881 20 5 DCBDHN Nc1ncc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC001626733511 1171488026 /nfs/dbraw/zinc/48/80/26/1171488026.db2.gz GHPXCBWDXTUURV-NSHDSACASA-N 0 3 305.338 0.882 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001635983109 1171719595 /nfs/dbraw/zinc/71/95/95/1171719595.db2.gz XMLMAKALZLTYFP-NEPJUHHUSA-N 0 3 320.349 0.458 20 5 DCBDHN O=C(N[C@@H](CO)CN1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641856930 1171930697 /nfs/dbraw/zinc/93/06/97/1171930697.db2.gz HQEAJMAIKKSMBG-TZMCWYRMSA-N 0 3 323.349 0.201 20 5 DCBDHN Cc1ncoc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001733717260 1186412562 /nfs/dbraw/zinc/41/25/62/1186412562.db2.gz ZGWHQTYTKAXVKN-GHMZBOCLSA-N 0 3 308.338 0.777 20 5 DCBDHN CCn1ncc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001126706482 749626875 /nfs/dbraw/zinc/62/68/75/749626875.db2.gz MKIROSJNHDYJRD-UHFFFAOYSA-N 0 3 318.337 0.726 20 5 DCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2nc(CN)cc2C)n1 ZINC001156044044 760289155 /nfs/dbraw/zinc/28/91/55/760289155.db2.gz HPACWNAVIWUGDE-UHFFFAOYSA-N 0 3 305.298 0.604 20 5 DCBDHN Cc1[nH]c(=O)[nH]c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001129995224 763075029 /nfs/dbraw/zinc/07/50/29/763075029.db2.gz FHMLISCBIYTPOZ-UHFFFAOYSA-N 0 3 319.321 0.852 20 5 DCBDHN C[C@H](Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170563886 763840721 /nfs/dbraw/zinc/84/07/21/763840721.db2.gz NTHAZCCFPDHDFW-XVKPBYJWSA-N 0 3 302.718 0.670 20 5 DCBDHN O=C(NC1CC1)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001116209419 765850308 /nfs/dbraw/zinc/85/03/08/765850308.db2.gz MYDJLWNVAWZNCJ-NSHDSACASA-N 0 3 307.354 0.782 20 5 DCBDHN COc1nc(N[C@H](C)[C@@H]2CNCCO2)nc(OC)c1[N+](=O)[O-] ZINC001159496590 766004667 /nfs/dbraw/zinc/00/46/67/766004667.db2.gz KJXCDNKXFQOSJE-SFYZADRCSA-N 0 3 313.314 0.191 20 5 DCBDHN CN1CCC(N(CCO)C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC001143822334 766714214 /nfs/dbraw/zinc/71/42/14/766714214.db2.gz QSZKTFVETYDUHJ-UHFFFAOYSA-N 0 3 322.365 0.706 20 5 DCBDHN O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC001122081832 767711881 /nfs/dbraw/zinc/71/18/81/767711881.db2.gz JULMEQJAXRWFGQ-KGLIPLIRSA-N 0 3 317.345 0.899 20 5 DCBDHN CN1CCC(Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC001233625589 769414336 /nfs/dbraw/zinc/41/43/36/769414336.db2.gz ZKLSEQMHSFQCFW-UHFFFAOYSA-N 0 3 315.351 0.715 20 5 DCBDHN O=C(Cn1ccnc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001153487746 769826722 /nfs/dbraw/zinc/82/67/22/769826722.db2.gz LXEINNOGUITAPB-UHFFFAOYSA-N 0 3 303.322 0.697 20 5 DCBDHN COc1cc(C)c([N+](=O)[O-])cc1N(C)S(=O)(=O)CCN ZINC001164296828 772640736 /nfs/dbraw/zinc/64/07/36/772640736.db2.gz QXGIGKNODYKJOA-UHFFFAOYSA-N 0 3 303.340 0.637 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]1CO ZINC001198113157 773863528 /nfs/dbraw/zinc/86/35/28/773863528.db2.gz WCVDTIPMZVAIKU-LLVKDONJSA-N 0 3 309.322 0.999 20 5 DCBDHN CN1CCCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001223646825 775507299 /nfs/dbraw/zinc/50/72/99/775507299.db2.gz NITBFEWXAGXIMJ-NSHDSACASA-N 0 3 310.358 0.575 20 5 DCBDHN Cc1n[nH]nc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001317616347 945116298 /nfs/dbraw/zinc/11/62/98/945116298.db2.gz SVKIAJFIAGNSQS-UHFFFAOYSA-N 0 3 318.337 0.883 20 5 DCBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cn(C)nn1 ZINC001266689892 939210730 /nfs/dbraw/zinc/21/07/30/939210730.db2.gz JBKWZEHYLQABFA-UHFFFAOYSA-N 0 3 318.337 0.585 20 5 DCBDHN O=C([C@@H]1CN2CCN1CCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319855887 945680933 /nfs/dbraw/zinc/68/09/33/945680933.db2.gz KQKFZAOXMTWSEQ-HNNXBMFYSA-N 0 3 316.361 0.827 20 5 DCBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCCCCN2CCN(C)CC2)n1 ZINC001320011184 945717549 /nfs/dbraw/zinc/71/75/49/945717549.db2.gz RBLUHPAZTJJQSL-UHFFFAOYSA-N 0 3 324.385 0.086 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC001307995648 960164307 /nfs/dbraw/zinc/16/43/07/960164307.db2.gz CNAFPUVUHZTPNM-OKILXGFUSA-N 0 3 312.370 0.413 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN[C@@H](Cc2ccc(F)cc2)C1 ZINC001454257806 1009025069 /nfs/dbraw/zinc/02/50/69/1009025069.db2.gz APOOWMQWKMEWIV-BFHYXJOUSA-N 0 3 307.325 0.834 20 5 DCBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CC(N[C@@H]2CCOC2)C1 ZINC001456291326 1010171513 /nfs/dbraw/zinc/17/15/13/1010171513.db2.gz FNCIJLBYVHYWFA-GFCCVEGCSA-N 0 3 305.334 0.727 20 5 DCBDHN CC(C)(CN1CCCC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001557060699 1012253936 /nfs/dbraw/zinc/25/39/36/1012253936.db2.gz YIAYWXGYUTXZOK-UHFFFAOYSA-N 0 3 322.365 0.747 20 5 DCBDHN CCC1(CC)CNC(=O)[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC001460830492 1012972840 /nfs/dbraw/zinc/97/28/40/1012972840.db2.gz ZBKWAYRVQWTJFO-ZDUSSCGKSA-N 0 3 322.365 0.651 20 5 DCBDHN C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000272640090 210042464 /nfs/dbraw/zinc/04/24/64/210042464.db2.gz BAJSWRLJUQYEFO-NSHDSACASA-N 0 3 322.369 0.741 20 5 DCBDHN CN1CCC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000153801075 291208651 /nfs/dbraw/zinc/20/86/51/291208651.db2.gz QROYIYGMKSTVCX-NSHDSACASA-N 0 3 320.349 0.991 20 5 DCBDHN C[C@@H](CN)NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420029410 240012045 /nfs/dbraw/zinc/01/20/45/240012045.db2.gz NSRCNXUCDODWDN-JTQLQIEISA-N 0 3 320.349 0.549 20 5 DCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000282916275 217322200 /nfs/dbraw/zinc/32/22/00/217322200.db2.gz GAGHZZZJUSUSPZ-ZETCQYMHSA-N 0 3 317.298 0.641 20 5 DCBDHN N[C@H]1C[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000573141173 291614472 /nfs/dbraw/zinc/61/44/72/291614472.db2.gz UXEKBWWKKLEVCX-NEPJUHHUSA-N 0 3 319.321 0.371 20 5 DCBDHN C[C@@H]1CCNC(=O)[C@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193641372 395775927 /nfs/dbraw/zinc/77/59/27/395775927.db2.gz JZNSLEVIHQEJAG-OSMZGAPFSA-N 0 3 323.349 0.449 20 5 DCBDHN CCN(C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067483162 396027336 /nfs/dbraw/zinc/02/73/36/396027336.db2.gz ANOATEMXROFHND-UHFFFAOYSA-N 0 3 318.337 0.857 20 5 DCBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277668692 396080684 /nfs/dbraw/zinc/08/06/84/396080684.db2.gz XHVKPJOYCGXTEJ-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN C[C@H](CN1CCOCC1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000279699498 396187174 /nfs/dbraw/zinc/18/71/74/396187174.db2.gz IQBJKUDHSHLPFX-CYBMUJFWSA-N 0 3 324.381 0.409 20 5 DCBDHN CN(CCOCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000282246745 396274881 /nfs/dbraw/zinc/27/48/81/396274881.db2.gz BVCHYPMHOCPLPF-LBPRGKRZSA-N 0 3 314.338 0.275 20 5 DCBDHN CN1CCC[C@]2(CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000293926988 396642619 /nfs/dbraw/zinc/64/26/19/396642619.db2.gz IXNUNDMPNXNSDW-AWEZNQCLSA-N 0 3 307.354 0.736 20 5 DCBDHN CN1C[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715450 396617164 /nfs/dbraw/zinc/61/71/64/396617164.db2.gz UKROQKBRJJXARW-PWSUYJOCSA-N 0 3 309.322 0.155 20 5 DCBDHN CN1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C1 ZINC000586782149 396665335 /nfs/dbraw/zinc/66/53/35/396665335.db2.gz JWBBXCIUIJGNBI-LLVKDONJSA-N 0 3 322.369 0.170 20 5 DCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860772 396696192 /nfs/dbraw/zinc/69/61/92/396696192.db2.gz LGNNASHSUNDVQG-HUUCEWRRSA-N 0 3 319.361 0.805 20 5 DCBDHN CCOC(=O)c1ccnc(N[C@@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000589101396 396703930 /nfs/dbraw/zinc/70/39/30/396703930.db2.gz BTCKFPPQTQNYGC-SECBINFHSA-N 0 3 312.326 0.501 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000590553473 396796226 /nfs/dbraw/zinc/79/62/26/396796226.db2.gz DQFLJGVVBCTJHJ-QWRGUYRKSA-N 0 3 313.741 0.995 20 5 DCBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CN2CCN1CCC2 ZINC000611217869 396836968 /nfs/dbraw/zinc/83/69/68/396836968.db2.gz QJUGYINDVMRDKB-OAHLLOKOSA-N 0 3 318.377 0.643 20 5 DCBDHN CSc1cccc(C(=O)N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000597652679 397045056 /nfs/dbraw/zinc/04/50/56/397045056.db2.gz DRRPSIAVOQSWKU-VIFPVBQESA-N 0 3 313.379 0.969 20 5 DCBDHN CCOc1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000597654256 397046610 /nfs/dbraw/zinc/04/66/10/397046610.db2.gz REUWOKXYMOSIOJ-LLVKDONJSA-N 0 3 311.338 0.646 20 5 DCBDHN CC1(C)CC[C@@H](CO)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598648088 397267729 /nfs/dbraw/zinc/26/77/29/397267729.db2.gz NQBBXNVEEQOEHK-WCQYABFASA-N 0 3 312.370 0.635 20 5 DCBDHN C[C@@H](NC1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000382962394 397277430 /nfs/dbraw/zinc/27/74/30/397277430.db2.gz OZFCEPQNAQHAEF-LLVKDONJSA-N 0 3 319.365 0.779 20 5 DCBDHN C[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000599110542 397340178 /nfs/dbraw/zinc/34/01/78/397340178.db2.gz WRFIIUZKNWCVAL-PHIMTYICSA-N 0 3 322.369 0.408 20 5 DCBDHN O=C(CN1CCNCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602517354 397426482 /nfs/dbraw/zinc/42/64/82/397426482.db2.gz ZGLZAUJGKLAVMU-UHFFFAOYSA-N 0 3 318.377 0.991 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000602773458 397480608 /nfs/dbraw/zinc/48/06/08/397480608.db2.gz TWWMVCBLAODCKS-UONOGXRCSA-N 0 3 323.397 0.631 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C[C@H]2CCOC2)CC1 ZINC000602781314 397483531 /nfs/dbraw/zinc/48/35/31/397483531.db2.gz SJBZVSRRNMRKLU-CQSZACIVSA-N 0 3 323.397 0.754 20 5 DCBDHN COc1ccc(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000578787548 397486385 /nfs/dbraw/zinc/48/63/85/397486385.db2.gz SCGFXEQGWBPVOI-NEPJUHHUSA-N 0 3 320.349 0.347 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CNC(=O)N2C)CC1 ZINC000602844799 397499473 /nfs/dbraw/zinc/49/94/73/397499473.db2.gz JINHKCLZCRNDHQ-UHFFFAOYSA-N 0 3 322.369 0.589 20 5 DCBDHN CC(C)(C(=O)N[C@H](CN)C(F)(F)F)n1cc([N+](=O)[O-])cn1 ZINC000594450729 397553678 /nfs/dbraw/zinc/55/36/78/397553678.db2.gz WQILDBSGESJLFU-SSDOTTSWSA-N 0 3 309.248 0.532 20 5 DCBDHN CN1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000579812678 397593319 /nfs/dbraw/zinc/59/33/19/397593319.db2.gz VSGRFPHPQDAALS-AWEZNQCLSA-N 0 3 321.381 0.422 20 5 DCBDHN CC(C(=O)N(C)Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000048499907 158007305 /nfs/dbraw/zinc/00/73/05/158007305.db2.gz IRSZZEHDDXMRRP-VIFPVBQESA-N 0 3 300.336 0.986 20 5 DCBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@@H]2CCOC2)c1 ZINC000088694841 158094716 /nfs/dbraw/zinc/09/47/16/158094716.db2.gz DGBLPDCSNHVPCK-SNVBAGLBSA-N 0 3 315.351 0.252 20 5 DCBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1C[C@H](F)CN1 ZINC000368386117 159390971 /nfs/dbraw/zinc/39/09/71/159390971.db2.gz UMRQLDUEVLTKGD-IUCAKERBSA-N 0 3 315.276 0.929 20 5 DCBDHN COCCN(C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000263732805 287129647 /nfs/dbraw/zinc/12/96/47/287129647.db2.gz HCGRQDHXOZYDCY-UHFFFAOYSA-N 0 3 311.338 0.668 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000268146261 415165493 /nfs/dbraw/zinc/16/54/93/415165493.db2.gz FDDQZUNDVIHAED-MFKMUULPSA-N 0 3 320.349 0.355 20 5 DCBDHN CCCN(CCN1CCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000342794898 415298550 /nfs/dbraw/zinc/29/85/50/415298550.db2.gz MGNWIFBLGNFKLO-UHFFFAOYSA-N 0 3 324.385 0.911 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1COC[C@H]1O ZINC000352805148 415329024 /nfs/dbraw/zinc/32/90/24/415329024.db2.gz RCZJJTHHKAQHAO-UONOGXRCSA-N 0 3 323.349 0.923 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1COC[C@@H]1O ZINC000352807646 415329987 /nfs/dbraw/zinc/32/99/87/415329987.db2.gz WYIHYCJQYFLWPO-KBPBESRZSA-N 0 3 323.349 0.923 20 5 DCBDHN CCN1CCN(CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000343092304 415443079 /nfs/dbraw/zinc/44/30/79/415443079.db2.gz ATYVNBSPCJRVKV-UHFFFAOYSA-N 0 3 310.358 0.075 20 5 DCBDHN C[C@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000343805430 415734056 /nfs/dbraw/zinc/73/40/56/415734056.db2.gz KOAGKHNFRKTIEG-MRVPVSSYSA-N 0 3 302.356 0.604 20 5 DCBDHN C[C@H](O)CN(CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289931042 415739936 /nfs/dbraw/zinc/73/99/36/415739936.db2.gz UVGOGMQIQBAONI-AAEUAGOBSA-N 0 3 314.338 0.010 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000120752134 415782138 /nfs/dbraw/zinc/78/21/38/415782138.db2.gz QFTLVHCJHFJSPI-CMPLNLGQSA-N 0 3 309.370 0.898 20 5 DCBDHN COC[C@]1(C(=O)OC)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000296380340 415923989 /nfs/dbraw/zinc/92/39/89/415923989.db2.gz RZQWBTPNTCJCOW-ZDUSSCGKSA-N 0 3 312.326 0.303 20 5 DCBDHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000297941396 415984314 /nfs/dbraw/zinc/98/43/14/415984314.db2.gz SBBQZLAPKMFEQV-JTQLQIEISA-N 0 3 308.338 0.908 20 5 DCBDHN CCN1CC[C@H]2OCCN(Cc3c([N+](=O)[O-])ncn3C)[C@H]2C1 ZINC000339385216 416157384 /nfs/dbraw/zinc/15/73/84/416157384.db2.gz NKFXJIPSDLQUPQ-WCQYABFASA-N 0 3 309.370 0.623 20 5 DCBDHN CCOC(=O)c1ccnc(NC[C@@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000358360212 416229730 /nfs/dbraw/zinc/22/97/30/416229730.db2.gz VQYSAOJPHVPCNV-AWEZNQCLSA-N 0 3 324.337 0.645 20 5 DCBDHN CC1(C)CCCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000331289183 416303301 /nfs/dbraw/zinc/30/33/01/416303301.db2.gz JDSWGKONNLWWKO-UHFFFAOYSA-N 0 3 310.358 0.425 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)CN ZINC000415414585 416341399 /nfs/dbraw/zinc/34/13/99/416341399.db2.gz FYWBAQDXUIXCCF-VIFPVBQESA-N 0 3 324.337 0.738 20 5 DCBDHN Cc1c(NC(=O)C(=O)N[C@@H](CN)C2CC2)cccc1[N+](=O)[O-] ZINC000415451056 416343914 /nfs/dbraw/zinc/34/39/14/416343914.db2.gz KLYKADFNPNHZJK-NSHDSACASA-N 0 3 306.322 0.695 20 5 DCBDHN CCc1nn(C)c(NCCN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000360881312 416415377 /nfs/dbraw/zinc/41/53/77/416415377.db2.gz PWCLYZFRISGVRV-UHFFFAOYSA-N 0 3 310.402 0.940 20 5 DCBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CNCCO1 ZINC000423983616 416599378 /nfs/dbraw/zinc/59/93/78/416599378.db2.gz ANDRCUGJENFBFU-LLVKDONJSA-N 0 3 313.741 0.895 20 5 DCBDHN CCCc1n[nH]c(C(=O)NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000539749237 416581457 /nfs/dbraw/zinc/58/14/57/416581457.db2.gz BOTZXKBEFPTONA-UHFFFAOYSA-N 0 3 313.358 0.578 20 5 DCBDHN CNc1nccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000564226408 416889167 /nfs/dbraw/zinc/88/91/67/416889167.db2.gz WYGJUSFRUBRNHW-CMPLNLGQSA-N 0 3 319.365 1.198 20 5 DCBDHN CCCN(CCN(C)C)C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000565181126 416939360 /nfs/dbraw/zinc/93/93/60/416939360.db2.gz NCABEKLCJMCBKV-UHFFFAOYSA-N 0 3 309.370 1.445 20 5 DCBDHN O=C(CNC[C@@H]1CCCO1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521861040 417028469 /nfs/dbraw/zinc/02/84/69/417028469.db2.gz VGDRDAYUVYXFMN-AWEZNQCLSA-N 0 3 323.349 0.858 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489692 416986248 /nfs/dbraw/zinc/98/62/48/416986248.db2.gz BTLZWKFIQPWBOP-ZIAGYGMSSA-N 0 3 304.350 0.381 20 5 DCBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000521462872 417012128 /nfs/dbraw/zinc/01/21/28/417012128.db2.gz PCSPYSHJEYGTKC-YUMQZZPRSA-N 0 3 310.335 0.040 20 5 DCBDHN CN(CCn1ccc([N+](=O)[O-])n1)CCN1CCOC(C)(C)C1 ZINC000434712182 287356614 /nfs/dbraw/zinc/35/66/14/287356614.db2.gz URARAODDNKCRCX-UHFFFAOYSA-N 0 3 311.386 0.834 20 5 DCBDHN CO[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000451754148 417392781 /nfs/dbraw/zinc/39/27/81/417392781.db2.gz CRZZLSGTPZGKOL-ZIAGYGMSSA-N 0 3 323.349 0.923 20 5 DCBDHN CNc1nc(C(=O)NC[C@@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000455995860 417621649 /nfs/dbraw/zinc/62/16/49/417621649.db2.gz NFDUSARQYAVESX-CYBMUJFWSA-N 0 3 311.342 0.074 20 5 DCBDHN COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000440860251 287409970 /nfs/dbraw/zinc/40/99/70/287409970.db2.gz OJCFHYJSZMGZSJ-SSDOTTSWSA-N 0 3 321.330 0.758 20 5 DCBDHN CCN(CCO)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000183970972 261117385 /nfs/dbraw/zinc/11/73/85/261117385.db2.gz NDDNTOXADMPJGY-UHFFFAOYSA-N 0 3 311.338 0.404 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354385534 261212154 /nfs/dbraw/zinc/21/21/54/261212154.db2.gz IMFARWSFGMJYHE-LLVKDONJSA-N 0 3 309.370 0.679 20 5 DCBDHN O=[N+]([O-])c1cnc(N2CCN(CC3CCOCC3)CC2)nc1 ZINC000354588170 261241660 /nfs/dbraw/zinc/24/16/60/261241660.db2.gz PMAWTUDTXQUAIO-UHFFFAOYSA-N 0 3 307.354 0.933 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnc2c(c1)CNCC2 ZINC000361032252 261893544 /nfs/dbraw/zinc/89/35/44/261893544.db2.gz PPNJYLRECDIITQ-UHFFFAOYSA-N 0 3 316.321 0.779 20 5 DCBDHN C[C@H](O)CN(CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411742579 262175785 /nfs/dbraw/zinc/17/57/85/262175785.db2.gz DXGNTFNJFNTTPI-NSHDSACASA-N 0 3 311.338 0.599 20 5 DCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000514744702 272406499 /nfs/dbraw/zinc/40/64/99/272406499.db2.gz NYKWBSPCJPRFJS-JTQLQIEISA-N 0 3 323.353 0.094 20 5 DCBDHN C[C@@H]1CCN(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000525292569 272574476 /nfs/dbraw/zinc/57/44/76/272574476.db2.gz YMXWJNVQPPDUAK-LLVKDONJSA-N 0 3 309.370 0.984 20 5 DCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000582024850 333171069 /nfs/dbraw/zinc/17/10/69/333171069.db2.gz OGFFYARAIHNYAS-OAHLLOKOSA-N 0 3 323.324 0.920 20 5 DCBDHN CN(C)CCn1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1=O ZINC000571296064 333712426 /nfs/dbraw/zinc/71/24/26/333712426.db2.gz QLFUGCCECVNVJN-UHFFFAOYSA-N 0 3 320.309 0.294 20 5 DCBDHN CN(CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000269749424 522851703 /nfs/dbraw/zinc/85/17/03/522851703.db2.gz ZKYUWMHVMZNLRP-UHFFFAOYSA-N 0 3 322.365 0.747 20 5 DCBDHN COCCN(CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266555378 523705142 /nfs/dbraw/zinc/70/51/42/523705142.db2.gz VQIMQXPZWBRDDI-UHFFFAOYSA-N 0 3 314.338 0.923 20 5 DCBDHN Cc1n[nH]c(C(=O)NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267157069 525467217 /nfs/dbraw/zinc/46/72/17/525467217.db2.gz YAVNAOPQQPHORZ-LBPRGKRZSA-N 0 3 313.383 0.793 20 5 DCBDHN N[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000262565730 527386873 /nfs/dbraw/zinc/38/68/73/527386873.db2.gz CSWOFZCPEUNNPX-CYBMUJFWSA-N 0 3 303.322 0.998 20 5 DCBDHN C[NH+](C)C[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825856203 607737462 /nfs/dbraw/zinc/73/74/62/607737462.db2.gz RIWAFGVDOSXCAT-ZDUSSCGKSA-N 0 3 321.341 0.499 20 5 DCBDHN CCn1c(C)nnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063617 658814752 /nfs/dbraw/zinc/81/47/52/658814752.db2.gz GCBSRPJHROFGQL-WRWGMCAJSA-N 0 3 322.369 0.008 20 5 DCBDHN CN1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(NC[C@H]2CCN2C)n1 ZINC000895769104 662214093 /nfs/dbraw/zinc/21/40/93/662214093.db2.gz OENFVCUWEYKGPE-GHMZBOCLSA-N 0 3 321.385 0.617 20 5 DCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000758124589 668157143 /nfs/dbraw/zinc/15/71/43/668157143.db2.gz OWDFOXPEXSOIPE-SNVBAGLBSA-N 0 3 305.338 0.786 20 5 DCBDHN CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000931398742 669190885 /nfs/dbraw/zinc/19/08/85/669190885.db2.gz UDVZXICAVFLDIQ-CQSZACIVSA-N 0 3 309.366 0.972 20 5 DCBDHN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ncccc1O ZINC000854455925 670568650 /nfs/dbraw/zinc/56/86/50/670568650.db2.gz QWLVLHCHNMANTA-ZYUZMQFOSA-N 0 3 322.321 0.532 20 5 DCBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H](CO)CN(C)C)c1F ZINC000854465673 670572258 /nfs/dbraw/zinc/57/22/58/670572258.db2.gz SSJFKIQWEGYPSY-QMMMGPOBSA-N 0 3 317.292 0.834 20 5 DCBDHN CC(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)[N+](=O)[O-] ZINC000813104987 670611775 /nfs/dbraw/zinc/61/17/75/670611775.db2.gz ITMZFHJRCYDJCK-SECBINFHSA-N 0 3 313.310 0.450 20 5 DCBDHN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108933 670612011 /nfs/dbraw/zinc/61/20/11/670612011.db2.gz CGRKYAAYNZYBEI-QMMMGPOBSA-N 0 3 319.339 0.523 20 5 DCBDHN CNS(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813111627 670612022 /nfs/dbraw/zinc/61/20/22/670612022.db2.gz JGCJGPJVVTULKI-MRVPVSSYSA-N 0 3 302.308 0.417 20 5 DCBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848765375 670723907 /nfs/dbraw/zinc/72/39/07/670723907.db2.gz CJEJOUHFDWPMRJ-UONOGXRCSA-N 0 3 307.350 0.996 20 5 DCBDHN CC(COC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)[N+](=O)[O-] ZINC000851035972 670962867 /nfs/dbraw/zinc/96/28/67/670962867.db2.gz CTGAGVKQFZLKEI-TVYUQYBPSA-N 0 3 323.305 0.188 20 5 DCBDHN O=C1OC[C@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000860165536 671186270 /nfs/dbraw/zinc/18/62/70/671186270.db2.gz XJCXBTDAHHNFIK-IJLUTSLNSA-N 0 3 322.317 0.439 20 5 DCBDHN Cc1cc(C(=O)N2CCOC3(CNC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000853246083 671224134 /nfs/dbraw/zinc/22/41/34/671224134.db2.gz RZSIVTWBTNUEAQ-UHFFFAOYSA-N 0 3 306.322 0.300 20 5 DCBDHN CC(COC(=O)C(C)(C)NC(=O)COC(C)(C)C)[N+](=O)[O-] ZINC000845574519 672264142 /nfs/dbraw/zinc/26/41/42/672264142.db2.gz CMJRQKYOMKSWMO-VIFPVBQESA-N 0 3 304.343 0.905 20 5 DCBDHN O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)C[C@@H]2CNCCO2)c1 ZINC001574441057 1163725204 /nfs/dbraw/zinc/72/52/04/1163725204.db2.gz LOQXEMLYSSGCHQ-NSHDSACASA-N 0 3 320.298 0.431 20 5 DCBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1COC2(CNC2)C1 ZINC001580561899 1165640261 /nfs/dbraw/zinc/64/02/61/1165640261.db2.gz DYMUJMUEGADCSE-SNVBAGLBSA-N 0 3 307.306 0.221 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccn[nH]1 ZINC001581372704 1165817801 /nfs/dbraw/zinc/81/78/01/1165817801.db2.gz DTXIJKYTOHJSRI-MWLCHTKSSA-N 0 3 309.326 0.043 20 5 DCBDHN Nc1ncc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC001583990106 1166298583 /nfs/dbraw/zinc/29/85/83/1166298583.db2.gz XJDLDIJIDHXBPS-WDEREUQCSA-N 0 3 321.337 0.165 20 5 DCBDHN CN(CC[N@H+](C)CCO)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591108113 1167106766 /nfs/dbraw/zinc/10/67/66/1167106766.db2.gz ZZXQACMTBXNYHM-UHFFFAOYSA-N 0 3 321.341 0.135 20 5 DCBDHN CN(CC[N@@H+](C)CCO)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591108113 1167106770 /nfs/dbraw/zinc/10/67/70/1167106770.db2.gz ZZXQACMTBXNYHM-UHFFFAOYSA-N 0 3 321.341 0.135 20 5 DCBDHN CN(CCO)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001596047914 1167986651 /nfs/dbraw/zinc/98/66/51/1167986651.db2.gz HQJXUKYXBWIZQU-UHFFFAOYSA-N 0 3 320.349 0.659 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])ccc1F)N1CC(N[C@H]2CCOC2)C1 ZINC001652690860 1173774894 /nfs/dbraw/zinc/77/48/94/1173774894.db2.gz NZUJHQJMJPOXFK-VIFPVBQESA-N 0 3 309.297 0.937 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001653830407 1173795282 /nfs/dbraw/zinc/79/52/82/1173795282.db2.gz NVILNFCNEJAOPT-MXWKQRLJSA-N 0 3 302.281 0.739 20 5 DCBDHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NC(C)(C)C ZINC001712945342 1180574806 /nfs/dbraw/zinc/57/48/06/1180574806.db2.gz BOSNRBUKFCXFQH-GHMZBOCLSA-N 0 3 314.386 0.004 20 5 DCBDHN Cc1nn(C)cc1CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001713556133 1180919630 /nfs/dbraw/zinc/91/96/30/1180919630.db2.gz BZFMJPQNVZEFQV-ZIAGYGMSSA-N 0 3 321.381 0.474 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCN(C3CCOCC3)CC2)c1 ZINC000175474012 1184102531 /nfs/dbraw/zinc/10/25/31/1184102531.db2.gz OLCOPTXVSFFYHC-UHFFFAOYSA-N 0 3 309.370 0.588 20 5 DCBDHN CC(C)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccn[nH]1 ZINC001739072455 1187740308 /nfs/dbraw/zinc/74/03/08/1187740308.db2.gz AKGBYNMDQPHIJA-ZYHUDNBSSA-N 0 3 323.353 0.384 20 5 DCBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(C)no1 ZINC001753143396 1188513986 /nfs/dbraw/zinc/51/39/86/1188513986.db2.gz QYFHMIHJKDLNJD-CHWSQXEVSA-N 0 3 310.354 0.976 20 5 DCBDHN Cn1ncc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1N ZINC001126086239 748211761 /nfs/dbraw/zinc/21/17/61/748211761.db2.gz GVBWEPJJBRMACL-UHFFFAOYSA-N 0 3 318.337 0.430 20 5 DCBDHN Cc1ncoc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001156228308 760484717 /nfs/dbraw/zinc/48/47/17/760484717.db2.gz SVKQREOGCXOURL-UHFFFAOYSA-N 0 3 322.325 0.534 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cn[nH]c(=O)c1 ZINC001129992752 763082176 /nfs/dbraw/zinc/08/21/76/763082176.db2.gz UOOQAFADFYWIOC-UHFFFAOYSA-N 0 3 317.305 0.610 20 5 DCBDHN CCOC(=O)c1cnc(N[C@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170564319 763839699 /nfs/dbraw/zinc/83/96/99/763839699.db2.gz PVVNEGOGTZQHFK-BXKDBHETSA-N 0 3 324.337 0.955 20 5 DCBDHN Cn1ncc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001135283389 765867716 /nfs/dbraw/zinc/86/77/16/765867716.db2.gz XJKQKSQVYMJHKC-UHFFFAOYSA-N 0 3 304.310 0.243 20 5 DCBDHN Cc1cc(F)cc(C(=O)N[C@@H]2COC3(CNC3)C2)c1[N+](=O)[O-] ZINC001122063499 767708914 /nfs/dbraw/zinc/70/89/14/767708914.db2.gz LEHCBNZGMZPBFE-JTQLQIEISA-N 0 3 309.297 0.903 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118799 769175294 /nfs/dbraw/zinc/17/52/94/769175294.db2.gz WQHFSDQMLCEHFE-LLVKDONJSA-N 0 3 306.346 0.229 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118799 769175300 /nfs/dbraw/zinc/17/53/00/769175300.db2.gz WQHFSDQMLCEHFE-LLVKDONJSA-N 0 3 306.346 0.229 20 5 DCBDHN C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC001154043167 770055746 /nfs/dbraw/zinc/05/57/46/770055746.db2.gz RYJNFXPVMUYSGQ-SECBINFHSA-N 0 3 305.338 0.952 20 5 DCBDHN COc1nc(N[C@@H](C)[C@@H]2CNCCO2)nc(OC)c1[N+](=O)[O-] ZINC001159496591 771919139 /nfs/dbraw/zinc/91/91/39/771919139.db2.gz KJXCDNKXFQOSJE-YUMQZZPRSA-N 0 3 313.314 0.191 20 5 DCBDHN Cn1nnc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])n1 ZINC001164153619 772617675 /nfs/dbraw/zinc/61/76/75/772617675.db2.gz QNGQUNHZTYCPTB-UHFFFAOYSA-N 0 3 319.325 0.028 20 5 DCBDHN Nc1ccc2n(C(=O)[C@@H]3CNCCN3)c3ccccc3cc-2c1=O ZINC001219256651 774424780 /nfs/dbraw/zinc/42/47/80/774424780.db2.gz VBQOCXCZLMTCQK-AWEZNQCLSA-N 0 3 322.368 0.890 20 5 DCBDHN CNC(=O)NCC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001267380487 939442237 /nfs/dbraw/zinc/44/22/37/939442237.db2.gz XOZQQKPJOIXKLR-UHFFFAOYSA-N 0 3 323.353 0.072 20 5 DCBDHN Cc1cc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)nn1C ZINC001484633794 943483460 /nfs/dbraw/zinc/48/34/60/943483460.db2.gz AZNMYROHARBPEQ-CHWSQXEVSA-N 0 3 321.381 0.522 20 5 DCBDHN CCN(CCNC(=O)c1nc[nH]n1)Cc1ccccc1[N+](=O)[O-] ZINC001317487986 944995380 /nfs/dbraw/zinc/99/53/80/944995380.db2.gz JPPDJSCHMAWLLR-UHFFFAOYSA-N 0 3 318.337 0.965 20 5 DCBDHN CN(C)[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319474286 945597043 /nfs/dbraw/zinc/59/70/43/945597043.db2.gz NKDBQXVOHMAKCI-VXGBXAGGSA-N 0 3 322.365 0.746 20 5 DCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001254548112 946408790 /nfs/dbraw/zinc/40/87/90/946408790.db2.gz GOPYIUBVMVLLOO-VWYCJHECSA-N 0 3 322.365 0.494 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN([C@H]2CCOC2)CC1 ZINC001328489052 948920669 /nfs/dbraw/zinc/92/06/69/948920669.db2.gz KIAJGGOBWYEJCD-LBPRGKRZSA-N 0 3 323.353 0.161 20 5 DCBDHN CN1CCNC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001339791476 953119406 /nfs/dbraw/zinc/11/94/06/953119406.db2.gz YAFGPWAXNNSJEZ-CYBMUJFWSA-N 0 3 307.354 0.027 20 5 DCBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1COC2(CNC2)C1 ZINC001340615482 953183035 /nfs/dbraw/zinc/18/30/35/953183035.db2.gz OKFGFXXEVCFVDE-UXONFWTHSA-N 0 3 303.318 0.855 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cc2nnn[n-]2)CC1 ZINC001473764715 1016963459 /nfs/dbraw/zinc/96/34/59/1016963459.db2.gz RCGMJKUSPPCIGQ-UHFFFAOYSA-N 0 3 320.357 0.568 20 5 DCBDHN CC(COC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)[N+](=O)[O-] ZINC001514773300 1017037056 /nfs/dbraw/zinc/03/70/56/1017037056.db2.gz AHDIJOIMWMFFCN-SSDOTTSWSA-N 0 3 309.282 0.210 20 5 DCBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001454608493 1009225080 /nfs/dbraw/zinc/22/50/80/1009225080.db2.gz LROGLVJGISEEOX-JTQLQIEISA-N 0 3 323.353 0.147 20 5 DCBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC001557883612 1012303621 /nfs/dbraw/zinc/30/36/21/1012303621.db2.gz NAKWWZOSBAIEHL-JTQLQIEISA-N 0 3 322.365 0.752 20 5 DCBDHN C[C@@H]1[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCN1C ZINC001558424812 1012357114 /nfs/dbraw/zinc/35/71/14/1012357114.db2.gz BKZBFOLSGYKCGX-PWSUYJOCSA-N 0 3 321.333 0.995 20 5 DCBDHN COc1ccc(S(=O)(=O)N(C)C2CNC2)cc1[N+](=O)[O-] ZINC000090289904 185289536 /nfs/dbraw/zinc/28/95/36/185289536.db2.gz OUKJLVUQZLJZIA-UHFFFAOYSA-N 0 3 301.324 0.196 20 5 DCBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@@H+]1CC(C)(C)O ZINC000286919787 219225393 /nfs/dbraw/zinc/22/53/93/219225393.db2.gz ZEMCRMNDLQCDTB-SECBINFHSA-N 0 3 311.342 0.235 20 5 DCBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@H+]1CC(C)(C)O ZINC000286919787 219225394 /nfs/dbraw/zinc/22/53/94/219225394.db2.gz ZEMCRMNDLQCDTB-SECBINFHSA-N 0 3 311.342 0.235 20 5 DCBDHN CC1CCN(C[C@H](O)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000154510292 291214140 /nfs/dbraw/zinc/21/41/40/291214140.db2.gz UPKXMRFBGCJXBV-SNVBAGLBSA-N 0 3 311.342 0.141 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CNCc2ccccc21 ZINC000566190861 291279397 /nfs/dbraw/zinc/27/93/97/291279397.db2.gz SOSNLIVGOSYAHL-AWEZNQCLSA-N 0 3 315.333 0.795 20 5 DCBDHN COCCNCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000567826202 291381632 /nfs/dbraw/zinc/38/16/32/291381632.db2.gz VEZPRSYEZOHOOV-UHFFFAOYSA-N 0 3 311.342 0.191 20 5 DCBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282906401 217315932 /nfs/dbraw/zinc/31/59/32/217315932.db2.gz FIGHAVHTVPLVGK-SSDOTTSWSA-N 0 3 317.298 0.641 20 5 DCBDHN C[C@H](CN(C)C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346256102 254028343 /nfs/dbraw/zinc/02/83/43/254028343.db2.gz IGPCEVKXVDZVLI-SNVBAGLBSA-N 0 3 308.338 0.391 20 5 DCBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000346695071 254083763 /nfs/dbraw/zinc/08/37/63/254083763.db2.gz YCVXWFFGKMNFEE-YUSALJHKSA-N 0 3 312.326 0.036 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CNC2 ZINC000347540672 254166605 /nfs/dbraw/zinc/16/66/05/254166605.db2.gz UUEWOECALHKGRZ-UHFFFAOYSA-N 0 3 301.306 0.825 20 5 DCBDHN COC(=O)c1cn(CCNCc2cccc([N+](=O)[O-])c2)nn1 ZINC000284034032 131042231 /nfs/dbraw/zinc/04/22/31/131042231.db2.gz OKFVCDFICRONJD-UHFFFAOYSA-N 0 3 305.294 0.763 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115438701 395839952 /nfs/dbraw/zinc/83/99/52/395839952.db2.gz NLYAXFIQHWCLEO-LBPRGKRZSA-N 0 3 309.370 0.900 20 5 DCBDHN C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000053711788 395888509 /nfs/dbraw/zinc/88/85/09/395888509.db2.gz KUXTWKUOSCMFEF-DTORHVGOSA-N 0 3 314.367 0.429 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](Cn3ccnn3)C2)n1 ZINC000119410615 395870868 /nfs/dbraw/zinc/87/08/68/395870868.db2.gz KFGSGWRVKADKJC-LBPRGKRZSA-N 0 3 305.342 0.795 20 5 DCBDHN COC(=O)[C@]1(C)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246296911 395946048 /nfs/dbraw/zinc/94/60/48/395946048.db2.gz BSLZUQSPYUSFLY-DGCLKSJQSA-N 0 3 312.326 0.037 20 5 DCBDHN Cc1c(CNC(=O)CNC(=O)[C@@H](N)C(C)C)cccc1[N+](=O)[O-] ZINC000261628010 396050273 /nfs/dbraw/zinc/05/02/73/396050273.db2.gz CRIUNTSIORWETB-AWEZNQCLSA-N 0 3 322.365 0.619 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H](O)[C@@H](O)C3)o2)c1 ZINC000278543580 396130463 /nfs/dbraw/zinc/13/04/63/396130463.db2.gz AKRARCMHEITYBU-STQMWFEESA-N 0 3 319.317 0.830 20 5 DCBDHN COC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCO1 ZINC000279102075 396153032 /nfs/dbraw/zinc/15/30/32/396153032.db2.gz RDHWIPSGIAKBMW-STQMWFEESA-N 0 3 311.338 0.540 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000073997160 396154719 /nfs/dbraw/zinc/15/47/19/396154719.db2.gz KXHMDICMHITDSN-NWDGAFQWSA-N 0 3 307.354 0.795 20 5 DCBDHN C[C@H]1CCSCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279322874 396165842 /nfs/dbraw/zinc/16/58/42/396165842.db2.gz SMEUYUPFPFISEH-JQWIXIFHSA-N 0 3 300.384 0.980 20 5 DCBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000183987106 396280195 /nfs/dbraw/zinc/28/01/95/396280195.db2.gz XVWBAZHANCWUKY-UHFFFAOYSA-N 0 3 324.381 0.705 20 5 DCBDHN COCCN1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000264540098 396288824 /nfs/dbraw/zinc/28/88/24/396288824.db2.gz NLQIZVBSZMDFHQ-ZDUSSCGKSA-N 0 3 307.350 0.974 20 5 DCBDHN CN(C)[C@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCSC1 ZINC000267116488 396354630 /nfs/dbraw/zinc/35/46/30/396354630.db2.gz ONPIHRJKXDKXJJ-LBPRGKRZSA-N 0 3 313.383 0.345 20 5 DCBDHN C[C@H](NC(=O)N1CCN(C)C[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000580171754 396491244 /nfs/dbraw/zinc/49/12/44/396491244.db2.gz VMVAHZOCEDOEHA-FZMZJTMJSA-N 0 3 321.381 0.940 20 5 DCBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000595104045 396548535 /nfs/dbraw/zinc/54/85/35/396548535.db2.gz DAISHZKFPBOACT-NXEZZACHSA-N 0 3 314.367 0.656 20 5 DCBDHN CN1CC[C@@]2(CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000293935081 396642583 /nfs/dbraw/zinc/64/25/83/396642583.db2.gz QTCYDALSWRXKCA-CQSZACIVSA-N 0 3 307.354 0.736 20 5 DCBDHN O=C1NC(=O)C2(CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)N1 ZINC000595397937 396601876 /nfs/dbraw/zinc/60/18/76/396601876.db2.gz NBTMGPXFRIBOKR-UHFFFAOYSA-N 0 3 322.296 0.908 20 5 DCBDHN O=C1CCCN1C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595827282 396667866 /nfs/dbraw/zinc/66/78/66/396667866.db2.gz BHHMUTKCKJVFLV-LBPRGKRZSA-N 0 3 307.354 0.736 20 5 DCBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588863560 396695899 /nfs/dbraw/zinc/69/58/99/396695899.db2.gz QBRACHCNBULZLO-ZIAGYGMSSA-N 0 3 305.334 0.876 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000588866141 396696633 /nfs/dbraw/zinc/69/66/33/396696633.db2.gz BTZXRNSPHOKSGN-MRVPVSSYSA-N 0 3 307.310 0.123 20 5 DCBDHN NC[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000563156257 396709856 /nfs/dbraw/zinc/70/98/56/396709856.db2.gz KCXIPGWIEWYDOE-LBPRGKRZSA-N 0 3 322.365 0.780 20 5 DCBDHN O=c1[nH]ccc(N2CCN(C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596153347 396724939 /nfs/dbraw/zinc/72/49/39/396724939.db2.gz YMMKQCWKRQUSBJ-NSHDSACASA-N 0 3 308.338 0.854 20 5 DCBDHN Cc1cnc(N(CCN(C)C)CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000596461706 396781913 /nfs/dbraw/zinc/78/19/13/396781913.db2.gz IMJGYCZUXXJTBU-UHFFFAOYSA-N 0 3 309.370 0.754 20 5 DCBDHN COc1cc(CNC[C@@H]2COCCN2)c([N+](=O)[O-])cc1OC ZINC000600677022 396914122 /nfs/dbraw/zinc/91/41/22/396914122.db2.gz AOZZKRSTUUUQTI-LLVKDONJSA-N 0 3 311.338 0.690 20 5 DCBDHN CN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000592308180 397149765 /nfs/dbraw/zinc/14/97/65/397149765.db2.gz ADKOACTYHBHBTQ-GFCCVEGCSA-N 0 3 308.338 0.075 20 5 DCBDHN COc1ccc(CNCCCN2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000574890154 397309266 /nfs/dbraw/zinc/30/92/66/397309266.db2.gz PXBFOKORGSMHOV-UHFFFAOYSA-N 0 3 322.365 0.515 20 5 DCBDHN Cc1cc([N+](=O)[O-])cnc1N1CC(CN2CCN(C)CC2)C1 ZINC000599097257 397334965 /nfs/dbraw/zinc/33/49/65/397334965.db2.gz CGFSRWCIGLEJQR-UHFFFAOYSA-N 0 3 305.382 0.982 20 5 DCBDHN CN(C)C(=O)CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602593061 397445426 /nfs/dbraw/zinc/44/54/26/397445426.db2.gz HERLRPABEPLLKV-UHFFFAOYSA-N 0 3 307.354 0.636 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000369998408 397447197 /nfs/dbraw/zinc/44/71/97/397447197.db2.gz RVFXQXFFJWDIDM-ZIAGYGMSSA-N 0 3 309.370 0.322 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593604648 397406707 /nfs/dbraw/zinc/40/67/07/397406707.db2.gz CYANVVGOHYVEIE-AWEZNQCLSA-N 0 3 311.313 0.459 20 5 DCBDHN CCCC[C@H](CN)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000578865761 397494615 /nfs/dbraw/zinc/49/46/15/397494615.db2.gz OZLNMACLMRSPHQ-GFCCVEGCSA-N 0 3 322.365 0.845 20 5 DCBDHN CC[C@@H](CN1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000609833215 397793529 /nfs/dbraw/zinc/79/35/29/397793529.db2.gz BFJLYHWWKAJVIO-LBPRGKRZSA-N 0 3 322.365 0.747 20 5 DCBDHN CCN(C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000112926301 158143766 /nfs/dbraw/zinc/14/37/66/158143766.db2.gz XHAFFEWZJGLUQX-UHFFFAOYSA-N 0 3 318.337 0.857 20 5 DCBDHN O=[N+]([O-])c1cccnc1NCCCCN1CCN(CCO)CC1 ZINC000114450764 158152912 /nfs/dbraw/zinc/15/29/12/158152912.db2.gz QUSILZTZDFRGQN-UHFFFAOYSA-N 0 3 323.397 0.792 20 5 DCBDHN C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCC(C)CC1 ZINC000124289564 158239872 /nfs/dbraw/zinc/23/98/72/158239872.db2.gz CQFJXKWTTQGZRJ-NSHDSACASA-N 0 3 310.358 0.423 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368050081 159371990 /nfs/dbraw/zinc/37/19/90/159371990.db2.gz YPOHUGKVNFLIHK-GHMZBOCLSA-N 0 3 320.349 0.770 20 5 DCBDHN C[C@H](CN)N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420291881 287286522 /nfs/dbraw/zinc/28/65/22/287286522.db2.gz OGSCGMOLZZYUIQ-SNVBAGLBSA-N 0 3 301.368 0.648 20 5 DCBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000272135850 209505268 /nfs/dbraw/zinc/50/52/68/209505268.db2.gz CRAIWBGBNVJQJR-LLVKDONJSA-N 0 3 309.370 0.980 20 5 DCBDHN COCCN(C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269504570 415252856 /nfs/dbraw/zinc/25/28/56/415252856.db2.gz ZPQOGBLITQNWRZ-UHFFFAOYSA-N 0 3 313.358 0.749 20 5 DCBDHN CNc1c(C(=O)NCCN(C)CCOC)cccc1[N+](=O)[O-] ZINC000336860286 415842920 /nfs/dbraw/zinc/84/29/20/415842920.db2.gz PLZDRJQJKICUSM-UHFFFAOYSA-N 0 3 310.354 0.945 20 5 DCBDHN CN(CCCS(N)(=O)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000338363362 416084688 /nfs/dbraw/zinc/08/46/88/416084688.db2.gz UXBKHKDXDQEDNP-UHFFFAOYSA-N 0 3 301.368 0.748 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000358043833 416177045 /nfs/dbraw/zinc/17/70/45/416177045.db2.gz AWRXVHGETFYJAJ-OAHLLOKOSA-N 0 3 318.333 0.873 20 5 DCBDHN CCS(=O)(=O)N1CC(CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000190288346 416278073 /nfs/dbraw/zinc/27/80/73/416278073.db2.gz WYWCLZOBIFHUJW-UHFFFAOYSA-N 0 3 313.379 0.966 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000331467855 416317660 /nfs/dbraw/zinc/31/76/60/416317660.db2.gz HTOFUTBTIDQAJV-UFBFGSQYSA-N 0 3 305.338 0.785 20 5 DCBDHN Cc1c(CNC(=O)C(=O)N(C)[C@H](C)CN)cccc1[N+](=O)[O-] ZINC000419756599 416408874 /nfs/dbraw/zinc/40/88/74/416408874.db2.gz GZMJIUXVNQJQHN-SECBINFHSA-N 0 3 308.338 0.325 20 5 DCBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccnc(N)c1[N+](=O)[O-])C2 ZINC000597709729 416596522 /nfs/dbraw/zinc/59/65/22/416596522.db2.gz ANNPRQQBBWUGBH-OAHLLOKOSA-N 0 3 319.365 1.130 20 5 DCBDHN CN(CC(=O)NC[C@@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC000423996033 416602561 /nfs/dbraw/zinc/60/25/61/416602561.db2.gz VYBPFBRDVZNSIZ-NSHDSACASA-N 0 3 308.338 0.136 20 5 DCBDHN COc1ccc(CC(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000514937538 416682883 /nfs/dbraw/zinc/68/28/83/416682883.db2.gz QAHGYKAWDPZFAD-GFCCVEGCSA-N 0 3 322.365 0.247 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425505745 416711334 /nfs/dbraw/zinc/71/13/34/416711334.db2.gz ZBZLVWBSNJJTTC-YPMHNXCESA-N 0 3 321.341 0.081 20 5 DCBDHN [NH3+][C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000518962930 416881752 /nfs/dbraw/zinc/88/17/52/416881752.db2.gz PXCRYVGFPYGJJD-RKDXNWHRSA-N 0 3 300.340 0.538 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000521462869 417012773 /nfs/dbraw/zinc/01/27/73/417012773.db2.gz PCSPYSHJEYGTKC-HTQZYQBOSA-N 0 3 310.335 0.040 20 5 DCBDHN CNc1nccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000574582359 417486750 /nfs/dbraw/zinc/48/67/50/417486750.db2.gz GVKNGTHMBQFYPC-VHSXEESVSA-N 0 3 307.354 1.244 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363223801 262106304 /nfs/dbraw/zinc/10/63/04/262106304.db2.gz JRPRLNYFROGAJJ-VXGBXAGGSA-N 0 3 323.353 0.079 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](N2CCCC2)C1 ZINC000363688881 262127667 /nfs/dbraw/zinc/12/76/67/262127667.db2.gz DOSUVAOJQLECOX-GFCCVEGCSA-N 0 3 320.349 0.453 20 5 DCBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CNCCO1 ZINC000417234955 262248397 /nfs/dbraw/zinc/24/83/97/262248397.db2.gz QRRQLVSEEGGZEX-CYBMUJFWSA-N 0 3 308.338 0.425 20 5 DCBDHN COCCNCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417773819 262261804 /nfs/dbraw/zinc/26/18/04/262261804.db2.gz YCQFUIPDPBJEDY-UHFFFAOYSA-N 0 3 310.354 0.673 20 5 DCBDHN C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000418783607 262289520 /nfs/dbraw/zinc/28/95/20/262289520.db2.gz OUZFBFDFZBFGIA-ZANVPECISA-N 0 3 320.349 0.626 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N1CCCNCC1)c1ccccc1[N+](=O)[O-] ZINC000419152981 262313744 /nfs/dbraw/zinc/31/37/44/262313744.db2.gz PEAKUJRNSVOPDE-LLVKDONJSA-N 0 3 320.349 0.594 20 5 DCBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@H](C)CN)cc1[N+](=O)[O-] ZINC000419239514 262322552 /nfs/dbraw/zinc/32/25/52/262322552.db2.gz ALQWYCBMBPQSPE-NXEZZACHSA-N 0 3 308.338 0.544 20 5 DCBDHN C[C@@H](CN(C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000514597382 272399525 /nfs/dbraw/zinc/39/95/25/272399525.db2.gz NGELAOIYMPDSQB-NSHDSACASA-N 0 3 315.395 0.908 20 5 DCBDHN CN(C)CCOCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000537545864 287866467 /nfs/dbraw/zinc/86/64/67/287866467.db2.gz ICCQZAKJUDDXED-UHFFFAOYSA-N 0 3 311.338 0.668 20 5 DCBDHN CC1(C)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1 ZINC000212279430 278343309 /nfs/dbraw/zinc/34/33/09/278343309.db2.gz PNNYUXJOXHWGSE-UHFFFAOYSA-N 0 3 314.367 0.430 20 5 DCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cn1 ZINC000552208242 288269381 /nfs/dbraw/zinc/26/93/81/288269381.db2.gz HYBTUEQIJNYRIP-AWEZNQCLSA-N 0 3 306.322 0.176 20 5 DCBDHN CCOc1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000583704975 337092471 /nfs/dbraw/zinc/09/24/71/337092471.db2.gz XMBOXLMUPOVANM-NEPJUHHUSA-N 0 3 320.349 0.742 20 5 DCBDHN C[C@@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000330903326 533915694 /nfs/dbraw/zinc/91/56/94/533915694.db2.gz LPDAHGZWZLJISH-GHMZBOCLSA-N 0 3 308.338 0.355 20 5 DCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCNCC1 ZINC000237550323 525345437 /nfs/dbraw/zinc/34/54/37/525345437.db2.gz ZVQDVXRDNLONIO-LLVKDONJSA-N 0 3 320.349 0.535 20 5 DCBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCNCC1 ZINC000237874320 545957834 /nfs/dbraw/zinc/95/78/34/545957834.db2.gz XJTLBHVGYMYMHH-UHFFFAOYSA-N 0 3 316.321 0.611 20 5 DCBDHN CC(C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735856460 598499959 /nfs/dbraw/zinc/49/99/59/598499959.db2.gz HHMVZTCMILHDLS-UHFFFAOYSA-N 0 3 306.330 0.922 20 5 DCBDHN CC(C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735856460 598499961 /nfs/dbraw/zinc/49/99/61/598499961.db2.gz HHMVZTCMILHDLS-UHFFFAOYSA-N 0 3 306.330 0.922 20 5 DCBDHN CC(C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735856460 598499963 /nfs/dbraw/zinc/49/99/63/598499963.db2.gz HHMVZTCMILHDLS-UHFFFAOYSA-N 0 3 306.330 0.922 20 5 DCBDHN CC(C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735856460 598499965 /nfs/dbraw/zinc/49/99/65/598499965.db2.gz HHMVZTCMILHDLS-UHFFFAOYSA-N 0 3 306.330 0.922 20 5 DCBDHN CN(C[C@H]1CC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736848859 598501803 /nfs/dbraw/zinc/50/18/03/598501803.db2.gz OICUEEGBIFMBJZ-VIFPVBQESA-N 0 3 318.341 0.558 20 5 DCBDHN CN(C[C@H]1CC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736848859 598501805 /nfs/dbraw/zinc/50/18/05/598501805.db2.gz OICUEEGBIFMBJZ-VIFPVBQESA-N 0 3 318.341 0.558 20 5 DCBDHN CN(C[C@H]1CC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736848859 598501807 /nfs/dbraw/zinc/50/18/07/598501807.db2.gz OICUEEGBIFMBJZ-VIFPVBQESA-N 0 3 318.341 0.558 20 5 DCBDHN CN(C[C@H]1CC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736848859 598501808 /nfs/dbraw/zinc/50/18/08/598501808.db2.gz OICUEEGBIFMBJZ-VIFPVBQESA-N 0 3 318.341 0.558 20 5 DCBDHN Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc1 ZINC001022063716 658814627 /nfs/dbraw/zinc/81/46/27/658814627.db2.gz IRWHEHMQCYIAHR-WRWGMCAJSA-N 0 3 305.338 0.187 20 5 DCBDHN CCc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001022064109 658820010 /nfs/dbraw/zinc/82/00/10/658820010.db2.gz WPUOOGUPGIOTSZ-RBLKWDMZSA-N 0 3 308.338 0.639 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1N1CCN(CC2CCOCC2)CC1 ZINC000892602894 658976638 /nfs/dbraw/zinc/97/66/38/658976638.db2.gz GZJZATKYQCPOPR-UHFFFAOYSA-N 0 3 309.370 0.877 20 5 DCBDHN CNc1c(C(=O)N(C)CCN(C)CCO)cccc1[N+](=O)[O-] ZINC000912605206 664192477 /nfs/dbraw/zinc/19/24/77/664192477.db2.gz IRDGWEUKCZBNQG-UHFFFAOYSA-N 0 3 310.354 0.633 20 5 DCBDHN CN(CCO)CCN(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000912610505 664195006 /nfs/dbraw/zinc/19/50/06/664195006.db2.gz GUJUVUAPFQBPCW-UHFFFAOYSA-N 0 3 324.381 0.779 20 5 DCBDHN O=[N+]([O-])c1cnn(CN2CCC(CN3CCOCC3)CC2)c1 ZINC000917463014 665133264 /nfs/dbraw/zinc/13/32/64/665133264.db2.gz MKDQABVEBFEQLV-UHFFFAOYSA-N 0 3 309.370 0.793 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874843076 668226655 /nfs/dbraw/zinc/22/66/55/668226655.db2.gz LOXJSOWMYJTXKB-NEPJUHHUSA-N 0 3 307.354 0.795 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000877567769 668629637 /nfs/dbraw/zinc/62/96/37/668629637.db2.gz RTIVODTVNFYLCZ-TXEJJXNPSA-N 0 3 303.318 0.916 20 5 DCBDHN CN1C(=O)[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]2C1=O ZINC000879532146 669056238 /nfs/dbraw/zinc/05/62/38/669056238.db2.gz QYAOYBBEDIYZQV-BETUJISGSA-N 0 3 319.317 0.520 20 5 DCBDHN CC(COC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)[N+](=O)[O-] ZINC000813109931 670611807 /nfs/dbraw/zinc/61/18/07/670611807.db2.gz QLSXDMHQIJZHQB-VIFPVBQESA-N 0 3 306.278 0.393 20 5 DCBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1Cc1ccncc1 ZINC000813111200 670611959 /nfs/dbraw/zinc/61/19/59/670611959.db2.gz QCQIATSTYYWNGV-VIFPVBQESA-N 0 3 305.294 0.852 20 5 DCBDHN CC(COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[N+](=O)[O-] ZINC000813112031 670612019 /nfs/dbraw/zinc/61/20/19/670612019.db2.gz MOCNFSCDRYENDK-NXEZZACHSA-N 0 3 318.326 0.831 20 5 DCBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848767902 670724622 /nfs/dbraw/zinc/72/46/22/670724622.db2.gz RSOFOXNDUWMXJF-NWDGAFQWSA-N 0 3 320.349 0.210 20 5 DCBDHN Cc1nc(CNCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)s1 ZINC001567493783 1160393370 /nfs/dbraw/zinc/39/33/70/1160393370.db2.gz HGVOZSGSBPVHEJ-ZYHUDNBSSA-N 0 3 312.395 0.973 20 5 DCBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1(C(N)=O)CC1 ZINC001567554120 1160419276 /nfs/dbraw/zinc/41/92/76/1160419276.db2.gz NGNDLMHFHZKMRU-UHFFFAOYSA-N 0 3 320.349 0.408 20 5 DCBDHN COc1c(C(=O)NC[C@@]2(C)CNCCO2)cccc1[N+](=O)[O-] ZINC001579134844 1165219270 /nfs/dbraw/zinc/21/92/70/1165219270.db2.gz LXOTXNWJBATWED-CQSZACIVSA-N 0 3 309.322 0.712 20 5 DCBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1COC2(CNC2)C1 ZINC001580561898 1165639900 /nfs/dbraw/zinc/63/99/00/1165639900.db2.gz DYMUJMUEGADCSE-JTQLQIEISA-N 0 3 307.306 0.221 20 5 DCBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001607082786 1170383893 /nfs/dbraw/zinc/38/38/93/1170383893.db2.gz SJMJSUVUEIIBBL-NXEZZACHSA-N 0 3 301.310 0.431 20 5 DCBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001607082786 1170383899 /nfs/dbraw/zinc/38/38/99/1170383899.db2.gz SJMJSUVUEIIBBL-NXEZZACHSA-N 0 3 301.310 0.431 20 5 DCBDHN C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609114714 1170813704 /nfs/dbraw/zinc/81/37/04/1170813704.db2.gz SUIQKMQHBLLZQZ-BDAKNGLRSA-N 0 3 306.326 0.881 20 5 DCBDHN COC(=O)c1ccnc(N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001651456855 1173749058 /nfs/dbraw/zinc/74/90/58/1173749058.db2.gz HGLNHWVPYYZSQP-SECBINFHSA-N 0 3 322.321 0.344 20 5 DCBDHN Cn1nnc2cc(CNCCn3cc([N+](=O)[O-])cn3)ccc21 ZINC001655842016 1173829435 /nfs/dbraw/zinc/82/94/35/1173829435.db2.gz WCLNWDDNDBCALA-UHFFFAOYSA-N 0 3 301.310 0.863 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCNC1(CO)COC(C)(C)OC1 ZINC001658493734 1173922860 /nfs/dbraw/zinc/92/28/60/1173922860.db2.gz ZFAQIOWTRBCYFN-UHFFFAOYSA-N 0 3 314.342 0.203 20 5 DCBDHN Cc1cc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)no1 ZINC001048813093 754955056 /nfs/dbraw/zinc/95/50/56/754955056.db2.gz ZPSZBDRFBKVKEC-ZMJPVWNMSA-N 0 3 320.349 0.538 20 5 DCBDHN O=C(NC[C@H]1C[C@@H](NCc2ncccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082911 759691152 /nfs/dbraw/zinc/69/11/52/759691152.db2.gz HOLFFBLCGSMWAN-WRWGMCAJSA-N 0 3 305.338 0.126 20 5 DCBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001169013447 760544119 /nfs/dbraw/zinc/54/41/19/760544119.db2.gz VHHBWXQVFVMWBJ-RCWTZXSCSA-N 0 3 312.288 0.792 20 5 DCBDHN COC(=O)[C@@H]1COCCC12CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169036178 760554917 /nfs/dbraw/zinc/55/49/17/760554917.db2.gz FQMUZSNDVNRAAQ-XQQFMLRXSA-N 0 3 312.366 0.943 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])c(-n2nncc2CN)cc1OC ZINC001169312245 760631169 /nfs/dbraw/zinc/63/11/69/760631169.db2.gz UCNLGRCUUDPNQJ-UHFFFAOYSA-N 0 3 307.266 0.429 20 5 DCBDHN CN(C)C1(C(=O)NCCNCc2c([N+](=O)[O-])ncn2C)CCC1 ZINC001129351689 760948833 /nfs/dbraw/zinc/94/88/33/760948833.db2.gz MRLSHJAASKLTHY-UHFFFAOYSA-N 0 3 324.385 0.018 20 5 DCBDHN CN1CCc2c(NC[C@@H]3COCCN3)ccc([N+](=O)[O-])c2C1 ZINC001170048114 761690685 /nfs/dbraw/zinc/69/06/85/761690685.db2.gz VPIUOVZXCPCXIM-LLVKDONJSA-N 0 3 306.366 0.983 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H](C)[C@@H]2CNCCO2)n1 ZINC001170566188 763846512 /nfs/dbraw/zinc/84/65/12/763846512.db2.gz XJFAWOFEQCXYJX-KWQFWETISA-N 0 3 310.310 0.565 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccnnc1 ZINC001134283297 765457186 /nfs/dbraw/zinc/45/71/86/765457186.db2.gz AYZUJVYRPYYIMX-UHFFFAOYSA-N 0 3 301.306 0.904 20 5 DCBDHN COc1nc(N[C@@H](C)[C@H]2CNCCO2)nc(OC)c1[N+](=O)[O-] ZINC001159496589 766005138 /nfs/dbraw/zinc/00/51/38/766005138.db2.gz KJXCDNKXFQOSJE-JGVFFNPUSA-N 0 3 313.314 0.191 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1CCCO ZINC001117826671 766144492 /nfs/dbraw/zinc/14/44/92/766144492.db2.gz UVPUCFORZQCBOF-LBPRGKRZSA-N 0 3 322.365 0.754 20 5 DCBDHN O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@H]2CNCCO2)cc1F ZINC001580875580 1165749406 /nfs/dbraw/zinc/74/94/06/1165749406.db2.gz NRQTXEIXXHLIMZ-SECBINFHSA-N 0 3 320.298 0.431 20 5 DCBDHN CCN(CCO)CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001138718404 768434244 /nfs/dbraw/zinc/43/42/44/768434244.db2.gz MJRFTSQFSOHGGC-UHFFFAOYSA-N 0 3 305.722 0.015 20 5 DCBDHN CN(C)C1(C(=O)NCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CCC1 ZINC001093926976 768772196 /nfs/dbraw/zinc/77/21/96/768772196.db2.gz SETNSZWFKBFVGU-UHFFFAOYSA-N 0 3 323.353 0.708 20 5 DCBDHN CC(=O)NCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001231259357 769211643 /nfs/dbraw/zinc/21/16/43/769211643.db2.gz XPOXWZMJDVASTL-UHFFFAOYSA-N 0 3 322.365 0.669 20 5 DCBDHN Cc1ncc([N+](=O)[O-])c(NCc2nnn3c2CNCCC3)n1 ZINC001155394507 770490334 /nfs/dbraw/zinc/49/03/34/770490334.db2.gz YAPSDAMNABKGEU-UHFFFAOYSA-N 0 3 304.314 0.390 20 5 DCBDHN COc1cc(C)nc([N-][C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155571368 770548622 /nfs/dbraw/zinc/54/86/22/770548622.db2.gz SEIDYHUAMMUDOH-RNCFNFMXSA-N 0 3 307.310 0.297 20 5 DCBDHN Cc1cc(Cl)c([N+](=O)[O-])c([N-][C@@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001155571414 770548819 /nfs/dbraw/zinc/54/88/19/770548819.db2.gz SPPRAXZYRAMCNZ-PELKAZGASA-N 0 3 311.729 0.942 20 5 DCBDHN CN(c1ncnc2sc([N+](=O)[O-])cc21)S(=O)(=O)CCN ZINC001164292434 772638591 /nfs/dbraw/zinc/63/85/91/772638591.db2.gz LNCPULZBRKVTQW-UHFFFAOYSA-N 0 3 317.352 0.324 20 5 DCBDHN COc1cc(N(C)S(=O)(=O)CCN)cc([N+](=O)[O-])c1C ZINC001164297537 772640624 /nfs/dbraw/zinc/64/06/24/772640624.db2.gz XLORXYPWFKNTCR-UHFFFAOYSA-N 0 3 303.340 0.637 20 5 DCBDHN O=C(NC/C=C/CNCc1cc2n(n1)CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001483007989 941773709 /nfs/dbraw/zinc/77/37/09/941773709.db2.gz PXPYBDNCVBTSFD-GEYXIOIISA-N 0 3 319.365 0.257 20 5 DCBDHN O=C1CC2(CN1)CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC001253768943 946180522 /nfs/dbraw/zinc/18/05/22/946180522.db2.gz IBAVBWVNXWJKLT-UHFFFAOYSA-N 0 3 320.349 0.359 20 5 DCBDHN CN(C)[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC1 ZINC001322844017 946831713 /nfs/dbraw/zinc/83/17/13/946831713.db2.gz CIYWNOSQDMCPEF-NSHDSACASA-N 0 3 308.338 0.213 20 5 DCBDHN CN1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC001261245675 947228128 /nfs/dbraw/zinc/22/81/28/947228128.db2.gz KMZJDWFMFLPFQA-UHFFFAOYSA-N 0 3 324.406 0.976 20 5 DCBDHN CN(C)C[C@@H]1CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001324265060 947371118 /nfs/dbraw/zinc/37/11/18/947371118.db2.gz BAJBBKAUNYYHJJ-NSHDSACASA-N 0 3 308.338 0.309 20 5 DCBDHN CCOC(=O)[C@H]1CNCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001326583974 948207253 /nfs/dbraw/zinc/20/72/53/948207253.db2.gz QLGWNYJUOOYSGY-CQSZACIVSA-N 0 3 323.349 0.811 20 5 DCBDHN Cc1cnc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001274017099 951331700 /nfs/dbraw/zinc/33/17/00/951331700.db2.gz QYRYPXCEGJCZOM-LVUHIJSRSA-N 0 3 310.379 0.879 20 5 DCBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H](CO)[C@@H](CCO)C2)c1 ZINC001473892987 1016988414 /nfs/dbraw/zinc/98/84/14/1016988414.db2.gz MSVTYSVNFNKHDC-GZBFAFLISA-N 0 3 310.350 0.551 20 5 DCBDHN CS(=O)(=O)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC001474054614 1017001214 /nfs/dbraw/zinc/00/12/14/1017001214.db2.gz LYGLGRRPBVEDEC-UHFFFAOYSA-N 0 3 324.362 0.985 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001442676081 1009609368 /nfs/dbraw/zinc/60/93/68/1009609368.db2.gz ZLDBBDDJHUIOBD-RYUDHWBXSA-N 0 3 323.353 0.079 20 5 DCBDHN O=C(NCC1(NCc2nnc(C3CC3)[nH]2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001499221905 1017758208 /nfs/dbraw/zinc/75/82/08/1017758208.db2.gz WEEOSPPRJRQZMZ-NXEZZACHSA-N 0 3 320.353 0.086 20 5 DCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330859335 232118720 /nfs/dbraw/zinc/11/87/20/232118720.db2.gz RFUARFQSYNWHST-SKDRFNHKSA-N 0 3 307.354 0.984 20 5 DCBDHN C[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000330903330 232150736 /nfs/dbraw/zinc/15/07/36/232150736.db2.gz LPDAHGZWZLJISH-QWRGUYRKSA-N 0 3 308.338 0.355 20 5 DCBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301810658 283349803 /nfs/dbraw/zinc/34/98/03/283349803.db2.gz GSBBVXLCNDVPJB-GFCCVEGCSA-N 0 3 319.365 0.908 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc3c(c2)COC3)c1 ZINC000567345482 291349720 /nfs/dbraw/zinc/34/97/20/291349720.db2.gz JQDRXFUASGQCPS-OAHLLOKOSA-N 0 3 318.333 0.972 20 5 DCBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)COc2ccc(F)cc2)c1 ZINC000567688548 291369867 /nfs/dbraw/zinc/36/98/67/291369867.db2.gz STUDZRSOECPGRN-CYBMUJFWSA-N 0 3 324.312 0.960 20 5 DCBDHN CC(C)[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339814508 253150048 /nfs/dbraw/zinc/15/00/48/253150048.db2.gz RXEGOVAAUZZFOV-KGLIPLIRSA-N 0 3 312.370 0.899 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)S(C)(=O)=O ZINC000340346573 253240389 /nfs/dbraw/zinc/24/03/89/253240389.db2.gz UUPBJXNYWCZFKB-QMMMGPOBSA-N 0 3 316.335 0.653 20 5 DCBDHN CNC(=O)[C@H]1CCC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000348188809 254225972 /nfs/dbraw/zinc/22/59/72/254225972.db2.gz VZSKCAKINHHDHF-NWDGAFQWSA-N 0 3 308.338 0.261 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000272975465 130079079 /nfs/dbraw/zinc/07/90/79/130079079.db2.gz CWLAKHOBUYLCSP-UONOGXRCSA-N 0 3 324.312 0.615 20 5 DCBDHN CN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000042752113 395748825 /nfs/dbraw/zinc/74/88/25/395748825.db2.gz SJRWGDGXWPHSQX-UHFFFAOYSA-N 0 3 310.354 0.945 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108328536 395789230 /nfs/dbraw/zinc/78/92/30/395789230.db2.gz YPZHCHQXPBLYQT-LBPRGKRZSA-N 0 3 309.370 0.948 20 5 DCBDHN CC(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000068184174 396047825 /nfs/dbraw/zinc/04/78/25/396047825.db2.gz DJYREUDTMFSWOP-SECBINFHSA-N 0 3 316.335 0.523 20 5 DCBDHN CN(C)CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000175790523 396142152 /nfs/dbraw/zinc/14/21/52/396142152.db2.gz PDQPSSDBTHPYEY-UHFFFAOYSA-N 0 3 321.381 0.496 20 5 DCBDHN COCCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178193563 396190897 /nfs/dbraw/zinc/19/08/97/396190897.db2.gz LHPKCDKYVPVOIY-UHFFFAOYSA-N 0 3 310.354 0.827 20 5 DCBDHN CC[C@@](C)(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182198749 396247651 /nfs/dbraw/zinc/24/76/51/396247651.db2.gz XAVZUNDVDONNGK-QMTHXVAHSA-N 0 3 311.338 0.578 20 5 DCBDHN Cc1c([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000183306734 396266603 /nfs/dbraw/zinc/26/66/03/396266603.db2.gz NPHFMPNLVNOMOT-BXKDBHETSA-N 0 3 308.342 0.545 20 5 DCBDHN CCN1CCC[C@H]1CN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269583338 396426587 /nfs/dbraw/zinc/42/65/87/396426587.db2.gz ABXHWZIVKJHQRD-LBPRGKRZSA-N 0 3 322.365 0.699 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](n2cccn2)C1 ZINC000291654535 396504596 /nfs/dbraw/zinc/50/45/96/396504596.db2.gz FLYUSNXZQFETIW-GFCCVEGCSA-N 0 3 303.322 0.900 20 5 DCBDHN O=C(CCN1CCC(O)(CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595732307 396653768 /nfs/dbraw/zinc/65/37/68/396653768.db2.gz LVYQLZODPUSZAY-UHFFFAOYSA-N 0 3 323.349 0.743 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000588866573 396696864 /nfs/dbraw/zinc/69/68/64/396696864.db2.gz MBHSJUYVAGLNGM-LLVKDONJSA-N 0 3 310.354 0.436 20 5 DCBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCC1 ZINC000588870390 396697101 /nfs/dbraw/zinc/69/71/01/396697101.db2.gz ZBNWYAQXNJJRTN-LBPRGKRZSA-N 0 3 323.349 0.547 20 5 DCBDHN COC(=O)[C@H]1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067634 396714082 /nfs/dbraw/zinc/71/40/82/396714082.db2.gz OUEXOJMHUMVCMT-SRVKXCTJSA-N 0 3 324.333 0.876 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCn2cccn2)cc1 ZINC000564605563 396847321 /nfs/dbraw/zinc/84/73/21/396847321.db2.gz KMTXVECVYSFDCC-UHFFFAOYSA-N 0 3 324.362 0.855 20 5 DCBDHN CCN1CC[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000591765968 397000522 /nfs/dbraw/zinc/00/05/22/397000522.db2.gz XHQMZFYCASAGQB-NWDGAFQWSA-N 0 3 323.349 0.545 20 5 DCBDHN COc1ccc(CC(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000591686203 396977685 /nfs/dbraw/zinc/97/76/85/396977685.db2.gz SEPQIURAJSMQPB-QWRGUYRKSA-N 0 3 311.313 0.962 20 5 DCBDHN CC(=O)NCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000572758601 397092182 /nfs/dbraw/zinc/09/21/82/397092182.db2.gz SIPBFGUHQMITGU-UHFFFAOYSA-N 0 3 308.338 0.991 20 5 DCBDHN C[C@H](C(=O)N[C@H](CO)CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597653483 397045301 /nfs/dbraw/zinc/04/53/01/397045301.db2.gz JPBSDNCBOYGKCU-UWVGGRQHSA-N 0 3 313.329 0.876 20 5 DCBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000573237086 397147851 /nfs/dbraw/zinc/14/78/51/397147851.db2.gz XRWCNQWWIPIYEL-SNVBAGLBSA-N 0 3 308.338 0.990 20 5 DCBDHN C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[NH2+]1 ZINC000599107100 397338904 /nfs/dbraw/zinc/33/89/04/397338904.db2.gz ZAVOXIUKIPYHGT-IUCAKERBSA-N 0 3 300.340 0.409 20 5 DCBDHN NC(=O)c1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000578127201 397392909 /nfs/dbraw/zinc/39/29/09/397392909.db2.gz HPKZDOBBDCRRQP-ZDUSSCGKSA-N 0 3 319.321 0.041 20 5 DCBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000578982035 397508480 /nfs/dbraw/zinc/50/84/80/397508480.db2.gz XRWCNQWWIPIYEL-JTQLQIEISA-N 0 3 308.338 0.990 20 5 DCBDHN CO[C@H](CNC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496002142 397568404 /nfs/dbraw/zinc/56/84/04/397568404.db2.gz NQFYNQBFPPRGLO-DTWKUNHWSA-N 0 3 306.315 0.735 20 5 DCBDHN C[C@@H]1CN[C@@H](C)CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000086471330 297114606 /nfs/dbraw/zinc/11/46/06/297114606.db2.gz ZBDYVYHRKRUHKL-DTWKUNHWSA-N 0 3 314.367 0.429 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCN([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000368404211 159391851 /nfs/dbraw/zinc/39/18/51/159391851.db2.gz KIHDZTBJACZHEP-CHWSQXEVSA-N 0 3 309.370 0.322 20 5 DCBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000408148295 160047559 /nfs/dbraw/zinc/04/75/59/160047559.db2.gz AVENSPVGRDIPPT-CYBMUJFWSA-N 0 3 319.365 0.733 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1=CCN(C)CC1 ZINC000343259394 415518935 /nfs/dbraw/zinc/51/89/35/415518935.db2.gz YOVUAJYEPMYKAR-UHFFFAOYSA-N 0 3 307.354 0.868 20 5 DCBDHN COc1ccc(OCCN[C@H]2COC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000290127565 415766228 /nfs/dbraw/zinc/76/62/28/415766228.db2.gz LIIORKLJHRHFEY-FZMZJTMJSA-N 0 3 312.322 0.986 20 5 DCBDHN Cn1c(C(=O)NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000337711855 416000663 /nfs/dbraw/zinc/00/06/63/416000663.db2.gz FHNRZOLVEPGKON-UHFFFAOYSA-N 0 3 323.397 0.689 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000153168023 415976148 /nfs/dbraw/zinc/97/61/48/415976148.db2.gz OIOBHVDNZSTFLI-OAHLLOKOSA-N 0 3 324.381 0.826 20 5 DCBDHN COc1ccc(C(=O)NCC(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000298287313 416000171 /nfs/dbraw/zinc/00/01/71/416000171.db2.gz BBBYNDLSNLRYSA-UHFFFAOYSA-N 0 3 324.337 0.011 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)C[C@H]1CO ZINC000186516286 416257161 /nfs/dbraw/zinc/25/71/61/416257161.db2.gz OPSUUFBWIYYJNA-STQMWFEESA-N 0 3 323.349 0.659 20 5 DCBDHN C[C@@H](N)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000194858819 416324831 /nfs/dbraw/zinc/32/48/31/416324831.db2.gz IPPKDYIRROGONH-SSDOTTSWSA-N 0 3 301.324 0.075 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(CCCO)CC2)c1 ZINC000360099033 416370199 /nfs/dbraw/zinc/37/01/99/416370199.db2.gz QQPOUVZYEJBLMT-CQSZACIVSA-N 0 3 312.370 0.637 20 5 DCBDHN Cn1ncc2c1CCC[C@H]2NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583435430 416463336 /nfs/dbraw/zinc/46/33/36/416463336.db2.gz CFSHCKPZZYVHGG-WCQYABFASA-N 0 3 320.353 0.553 20 5 DCBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)C1 ZINC000583761854 416482769 /nfs/dbraw/zinc/48/27/69/416482769.db2.gz DIZQUYQOQZAMRI-OAHLLOKOSA-N 0 3 319.365 1.130 20 5 DCBDHN CNc1nccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000594286103 416558715 /nfs/dbraw/zinc/55/87/15/416558715.db2.gz NDAGSKWUEKHBDT-LLVKDONJSA-N 0 3 319.365 1.246 20 5 DCBDHN C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000519636144 416923224 /nfs/dbraw/zinc/92/32/24/416923224.db2.gz CBHUMYNCVFXBLR-ZJUUUORDSA-N 0 3 317.367 0.232 20 5 DCBDHN CCN1CCN([C@H](C)CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450260106 417212393 /nfs/dbraw/zinc/21/23/93/417212393.db2.gz ZVVSGCYRTNZZQT-LLVKDONJSA-N 0 3 308.386 1.131 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000569258589 417233679 /nfs/dbraw/zinc/23/36/79/417233679.db2.gz UGFGDDDXRMYIFJ-XGUBFFRZSA-N 0 3 319.361 0.832 20 5 DCBDHN CN(C)C(=O)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000576220222 417589721 /nfs/dbraw/zinc/58/97/21/417589721.db2.gz HGSMDIIZZVRNGF-LLVKDONJSA-N 0 3 311.338 0.402 20 5 DCBDHN CN(C)CCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000530881327 417594815 /nfs/dbraw/zinc/59/48/15/417594815.db2.gz RSSDNYMKOBRWAW-UHFFFAOYSA-N 0 3 311.386 0.499 20 5 DCBDHN CC(C)N1CCN([C@H]2CCN(c3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000531582401 417627346 /nfs/dbraw/zinc/62/73/46/417627346.db2.gz VJELRCKEMQAXKA-ZDUSSCGKSA-N 0 3 322.413 0.933 20 5 DCBDHN COc1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000417192769 262247485 /nfs/dbraw/zinc/24/74/85/262247485.db2.gz KRYAABLQFAFCAO-LLVKDONJSA-N 0 3 324.337 0.391 20 5 DCBDHN Cc1c(CNC(=O)NC[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000418081345 262269088 /nfs/dbraw/zinc/26/90/88/262269088.db2.gz NTDGVQBBJFQVAD-LBPRGKRZSA-N 0 3 308.338 0.691 20 5 DCBDHN CN(C)C1(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000419012895 262304365 /nfs/dbraw/zinc/30/43/65/262304365.db2.gz XRNQOPPESHNTCQ-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000419152046 262313755 /nfs/dbraw/zinc/31/37/55/262313755.db2.gz NWIRIQZJIAHWPX-CABZTGNLSA-N 0 3 320.349 0.626 20 5 DCBDHN CN(C)[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1O ZINC000582118776 333293298 /nfs/dbraw/zinc/29/32/98/333293298.db2.gz MLSHYMLMYYYYID-KBPBESRZSA-N 0 3 306.366 0.980 20 5 DCBDHN CN(CCN)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000575867414 341811715 /nfs/dbraw/zinc/81/17/15/341811715.db2.gz QFPKXSIAHWRYFH-UHFFFAOYSA-N 0 3 301.324 0.029 20 5 DCBDHN CCc1nnc(CNCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001569201871 1160977727 /nfs/dbraw/zinc/97/77/27/1160977727.db2.gz NWGNECJGRQSBHA-NXEZZACHSA-N 0 3 311.342 0.235 20 5 DCBDHN CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247190322 523444831 /nfs/dbraw/zinc/44/48/31/523444831.db2.gz BQLXNCPMAFANHN-VXGBXAGGSA-N 0 3 300.384 0.980 20 5 DCBDHN C[C@@H]1CN(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000159537491 524947573 /nfs/dbraw/zinc/94/75/73/524947573.db2.gz GIFXBBMNMBMXKG-AOOOYVTPSA-N 0 3 311.342 0.547 20 5 DCBDHN COC[C@](C)([NH3+])CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736967983 598895665 /nfs/dbraw/zinc/89/56/65/598895665.db2.gz OTFSEVXEYXICOQ-GFCCVEGCSA-N 0 3 307.314 0.551 20 5 DCBDHN COC[C@](C)([NH3+])CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736967983 598895666 /nfs/dbraw/zinc/89/56/66/598895666.db2.gz OTFSEVXEYXICOQ-GFCCVEGCSA-N 0 3 307.314 0.551 20 5 DCBDHN CC[NH+](CC)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736529881 599314759 /nfs/dbraw/zinc/31/47/59/599314759.db2.gz AODSPGBIIXXULC-UHFFFAOYSA-N 0 3 306.330 0.924 20 5 DCBDHN CC[NH+](CC)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736529881 599314756 /nfs/dbraw/zinc/31/47/56/599314756.db2.gz AODSPGBIIXXULC-UHFFFAOYSA-N 0 3 306.330 0.924 20 5 DCBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000726163816 661652340 /nfs/dbraw/zinc/65/23/40/661652340.db2.gz OEKRXXLYOAQOKD-GHMZBOCLSA-N 0 3 323.353 0.230 20 5 DCBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCCNCC1 ZINC000841148486 661659458 /nfs/dbraw/zinc/65/94/58/661659458.db2.gz RZDLGBWRPIWQRM-UHFFFAOYSA-N 0 3 324.312 0.803 20 5 DCBDHN CN1CCN(C)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000897101028 662394193 /nfs/dbraw/zinc/39/41/93/662394193.db2.gz XTOWHKFZRSYRID-UHFFFAOYSA-N 0 3 321.381 0.377 20 5 DCBDHN Cc1nnc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000996428414 666790438 /nfs/dbraw/zinc/79/04/38/666790438.db2.gz BZXBFUFLEJMDGF-GHMZBOCLSA-N 0 3 309.326 0.124 20 5 DCBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000762720858 668374461 /nfs/dbraw/zinc/37/44/61/668374461.db2.gz DLKZJTNSCBNNNT-OAHLLOKOSA-N 0 3 322.365 0.457 20 5 DCBDHN CC(=O)NC[C@@H]1CCn2ncc(C(=O)OCC(C)[N+](=O)[O-])c2C1 ZINC000813112562 670613287 /nfs/dbraw/zinc/61/32/87/670613287.db2.gz IIFITMUMXYZNRT-GXSJLCMTSA-N 0 3 324.337 0.404 20 5 DCBDHN Cc1c(C(=O)NC[C@H]2CNCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818007595 670962120 /nfs/dbraw/zinc/96/21/20/670962120.db2.gz FEQQBIQVWLNBKF-SNVBAGLBSA-N 0 3 324.293 0.530 20 5 DCBDHN NC(=O)c1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000853242430 671223979 /nfs/dbraw/zinc/22/39/79/671223979.db2.gz SFCMRLLQDDMKMN-VXGBXAGGSA-N 0 3 320.349 0.969 20 5 DCBDHN CC(C)(CCC(=O)N[C@@H](CO)CN1CCCCC1)[N+](=O)[O-] ZINC000840454240 671267374 /nfs/dbraw/zinc/26/73/74/671267374.db2.gz XHYFOJUVTWVPAQ-GFCCVEGCSA-N 0 3 301.387 0.785 20 5 DCBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000844040257 672141918 /nfs/dbraw/zinc/14/19/18/672141918.db2.gz UPSHIKDRXHSQCR-NSHDSACASA-N 0 3 314.386 0.400 20 5 DCBDHN CCc1n[nH]c(C(=O)N2CCNC[C@H]2CCOC)c1[N+](=O)[O-] ZINC001578243657 1164963193 /nfs/dbraw/zinc/96/31/93/1164963193.db2.gz UPGRFZZBBOZIMM-SECBINFHSA-N 0 3 311.342 0.331 20 5 DCBDHN CCc1[nH]nc(C(=O)N2CCNC[C@H]2CCOC)c1[N+](=O)[O-] ZINC001578243657 1164963198 /nfs/dbraw/zinc/96/31/98/1164963198.db2.gz UPGRFZZBBOZIMM-SECBINFHSA-N 0 3 311.342 0.331 20 5 DCBDHN C[NH+](C)CC1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591015241 1167082137 /nfs/dbraw/zinc/08/21/37/1167082137.db2.gz JXLFBKDLZBCXAQ-UHFFFAOYSA-N 0 3 304.314 0.168 20 5 DCBDHN C[NH+](C)CC1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591015241 1167082140 /nfs/dbraw/zinc/08/21/40/1167082140.db2.gz JXLFBKDLZBCXAQ-UHFFFAOYSA-N 0 3 304.314 0.168 20 5 DCBDHN O=[N+]([O-])c1c(NCC[N@H+]2CC[C@H](O)C2)cccc1-c1nnn[n-]1 ZINC001593466337 1167856730 /nfs/dbraw/zinc/85/67/30/1167856730.db2.gz YQKUSIVDWPWINC-VIFPVBQESA-N 0 3 319.325 0.253 20 5 DCBDHN O=[N+]([O-])c1c(NCC[N@@H+]2CC[C@H](O)C2)cccc1-c1nnn[n-]1 ZINC001593466337 1167856752 /nfs/dbraw/zinc/85/67/52/1167856752.db2.gz YQKUSIVDWPWINC-VIFPVBQESA-N 0 3 319.325 0.253 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+](CCO)CC1CC1 ZINC001593483091 1167867662 /nfs/dbraw/zinc/86/76/62/1167867662.db2.gz UHVWQZGCFASBFP-UHFFFAOYSA-N 0 3 318.337 0.979 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+](CCO)CC1CC1 ZINC001593483091 1167867670 /nfs/dbraw/zinc/86/76/70/1167867670.db2.gz UHVWQZGCFASBFP-UHFFFAOYSA-N 0 3 318.337 0.979 20 5 DCBDHN Cc1cc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001621058530 1169126471 /nfs/dbraw/zinc/12/64/71/1169126471.db2.gz RKOBNZWTTHOANV-ZIAGYGMSSA-N 0 3 306.322 0.810 20 5 DCBDHN CN(CCO)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001634744994 1171686763 /nfs/dbraw/zinc/68/67/63/1171686763.db2.gz QAAKKLWJZNCMLM-UHFFFAOYSA-N 0 3 307.310 0.125 20 5 DCBDHN CCc1n[nH]c(C(=O)N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001635942219 1171717517 /nfs/dbraw/zinc/71/75/17/1171717517.db2.gz QTHXNQKXNDKIKV-QMMMGPOBSA-N 0 3 309.326 0.083 20 5 DCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC(N[C@@H]2CCOC2)C1 ZINC001635942442 1171718409 /nfs/dbraw/zinc/71/84/09/1171718409.db2.gz TXUJWBXVTOGAJU-GFCCVEGCSA-N 0 3 305.334 0.727 20 5 DCBDHN CC(C)c1n[nH]c(C(=O)N(C)CCN(C)CCO)c1[N+](=O)[O-] ZINC001641452888 1171916587 /nfs/dbraw/zinc/91/65/87/1171916587.db2.gz GPJRTVRYUWPBRT-UHFFFAOYSA-N 0 3 313.358 0.437 20 5 DCBDHN COC(=O)CNC(=O)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001652971185 1173779914 /nfs/dbraw/zinc/77/99/14/1173779914.db2.gz CJAKRQONVHPHNC-WDZFZDKYSA-N 0 3 321.333 0.877 20 5 DCBDHN CN(CCCNC(=O)c1nnc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001689866280 1177093925 /nfs/dbraw/zinc/09/39/25/1177093925.db2.gz XPVFOROSSSLERM-UHFFFAOYSA-N 0 3 318.337 0.965 20 5 DCBDHN O=C(NCC=CCNCc1csc([N+](=O)[O-])c1)c1ncn[nH]1 ZINC001699318570 1178061420 /nfs/dbraw/zinc/06/14/20/1178061420.db2.gz AHZYQONBQHIUGP-UPHRSURJSA-N 0 3 322.350 0.850 20 5 DCBDHN O=C(NCC=CCNCc1csc([N+](=O)[O-])c1)c1nc[nH]n1 ZINC001699318570 1178061428 /nfs/dbraw/zinc/06/14/28/1178061428.db2.gz AHZYQONBQHIUGP-UPHRSURJSA-N 0 3 322.350 0.850 20 5 DCBDHN NC(=O)C(=O)NC1(CNCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001715100229 1181688543 /nfs/dbraw/zinc/68/85/43/1181688543.db2.gz OXFQYGYQPHLRTH-UHFFFAOYSA-N 0 3 320.349 0.599 20 5 DCBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1nc[nH]n1 ZINC001753244807 1188547275 /nfs/dbraw/zinc/54/72/75/1188547275.db2.gz ZFHMXYCBOMTYQB-UHFFFAOYSA-N 0 3 304.310 0.575 20 5 DCBDHN CC(=O)N1CC(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)C1 ZINC001126287615 748378538 /nfs/dbraw/zinc/37/85/38/748378538.db2.gz NTIVAVLZNCHWAR-UHFFFAOYSA-N 0 3 320.349 0.279 20 5 DCBDHN COC(=O)CNC(=O)[C@@H]1CCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046273 760562407 /nfs/dbraw/zinc/56/24/07/760562407.db2.gz KFIWAKAPYSHGTL-TUAOUCFPSA-N 0 3 313.354 0.185 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cn[nH]c(=O)c1 ZINC001129992758 763082614 /nfs/dbraw/zinc/08/26/14/763082614.db2.gz UQPCRHQMNHNWPE-UHFFFAOYSA-N 0 3 317.305 0.610 20 5 DCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NCCCN2CCN(C)CC2)n1 ZINC001135878233 766150033 /nfs/dbraw/zinc/15/00/33/766150033.db2.gz RYMQQHMWHIIFKR-UHFFFAOYSA-N 0 3 321.381 0.666 20 5 DCBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001122062328 767709006 /nfs/dbraw/zinc/70/90/06/767709006.db2.gz BTSMOGLFHYBBJK-SNVBAGLBSA-N 0 3 320.349 0.522 20 5 DCBDHN CN1CCC(CCO)(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001153333419 769789984 /nfs/dbraw/zinc/78/99/84/769789984.db2.gz QAMLMHJXZHTNBV-UHFFFAOYSA-N 0 3 323.353 0.149 20 5 DCBDHN COc1nc(NCc2nnn3c2CNCCC3)ccc1[N+](=O)[O-] ZINC001155393541 770488772 /nfs/dbraw/zinc/48/87/72/770488772.db2.gz CHYDRSAALGYLGL-UHFFFAOYSA-N 0 3 319.325 0.695 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cscn1 ZINC001155684666 770588811 /nfs/dbraw/zinc/58/88/11/770588811.db2.gz ZJGHQNREEMWHDT-UHFFFAOYSA-N 0 3 324.366 0.695 20 5 DCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(N[C@H]3CCOC3)C2)n1 ZINC001179009106 770928760 /nfs/dbraw/zinc/92/87/60/770928760.db2.gz YOLOCZACYOZICT-JTQLQIEISA-N 0 3 306.322 0.501 20 5 DCBDHN CC(C)c1noc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157767155 771666111 /nfs/dbraw/zinc/66/61/11/771666111.db2.gz IMIHOSGLBWKSGD-NXEZZACHSA-N 0 3 311.342 0.454 20 5 DCBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001159497579 771919652 /nfs/dbraw/zinc/91/96/52/771919652.db2.gz IYKXGENFYZQMTQ-CABZTGNLSA-N 0 3 324.337 0.955 20 5 DCBDHN CCOC(=O)c1ccnc(N[C@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159502457 771920713 /nfs/dbraw/zinc/92/07/13/771920713.db2.gz NBKVQYAXBKNULU-KOLCDFICSA-N 0 3 324.337 0.955 20 5 DCBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])c(C(N)=O)n2)CC1 ZINC001161700766 772268116 /nfs/dbraw/zinc/26/81/16/772268116.db2.gz RQWFPKOPEUHJCK-UHFFFAOYSA-N 0 3 322.369 0.138 20 5 DCBDHN CCOC(=O)COc1ncc(-n2cnc(CN)c2)cc1[N+](=O)[O-] ZINC001162302125 772356269 /nfs/dbraw/zinc/35/62/69/772356269.db2.gz LHBVMXIDTLJUPB-UHFFFAOYSA-N 0 3 321.293 0.576 20 5 DCBDHN COC(=O)CNC(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254543593 946408041 /nfs/dbraw/zinc/40/80/41/946408041.db2.gz UEAWSDSSNSSWPM-JTQLQIEISA-N 0 3 309.322 0.405 20 5 DCBDHN CCOC(=O)[C@@H]1CNCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001326583973 948207376 /nfs/dbraw/zinc/20/73/76/948207376.db2.gz QLGWNYJUOOYSGY-AWEZNQCLSA-N 0 3 323.349 0.811 20 5 DCBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN([C@@H]2CCOC2)CC1 ZINC001328489050 948922484 /nfs/dbraw/zinc/92/24/84/948922484.db2.gz KIAJGGOBWYEJCD-GFCCVEGCSA-N 0 3 323.353 0.161 20 5 DCBDHN CN1CCN(C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC001329881142 949947608 /nfs/dbraw/zinc/94/76/08/949947608.db2.gz IJEJMNUOZSRYLI-UHFFFAOYSA-N 0 3 322.369 0.170 20 5 DCBDHN CN1CCNC[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001342127470 953271317 /nfs/dbraw/zinc/27/13/17/953271317.db2.gz HZKYPZWDGOMOGT-OAHLLOKOSA-N 0 3 318.377 0.989 20 5 DCBDHN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccn[nH]1 ZINC001356665819 956931376 /nfs/dbraw/zinc/93/13/76/956931376.db2.gz SOUUBAYOBJVLOO-ZYHUDNBSSA-N 0 3 323.353 0.432 20 5 DCBDHN CN1CCNC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001357253052 957239202 /nfs/dbraw/zinc/23/92/02/957239202.db2.gz DSEJXGOZIFVHHD-HNNXBMFYSA-N 0 3 320.393 0.937 20 5 DCBDHN COc1c(C(=O)N2CC(N[C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001456303360 1010181985 /nfs/dbraw/zinc/18/19/85/1010181985.db2.gz LRSBXGYYZAZAEU-SNVBAGLBSA-N 0 3 321.333 0.806 20 5 DCBDHN CC[C@@H]1CN(CC)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835119 1012429489 /nfs/dbraw/zinc/42/94/89/1012429489.db2.gz AKLDROZSRBPYMP-TZMCWYRMSA-N 0 3 311.386 0.568 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)C3(O)CCC3)C2)nc1 ZINC001459701287 1012818161 /nfs/dbraw/zinc/81/81/61/1012818161.db2.gz SRMTZGMPASOMDQ-WCQYABFASA-N 0 3 322.365 0.752 20 5 DCBDHN NC(=O)C[C@@H](NCc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC001459928079 1012836821 /nfs/dbraw/zinc/83/68/21/1012836821.db2.gz YOKYMOUDIKDMIT-GFCCVEGCSA-N 0 3 308.338 0.750 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@@H]2CCOC2)cc1 ZINC000088694784 185262367 /nfs/dbraw/zinc/26/23/67/185262367.db2.gz LXINQXWNLLTXJC-SNVBAGLBSA-N 0 3 315.351 0.252 20 5 DCBDHN CN1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000299515123 530050629 /nfs/dbraw/zinc/05/06/29/530050629.db2.gz VIOLIDOMSSPHBJ-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCN(C)C ZINC000080387916 192154128 /nfs/dbraw/zinc/15/41/28/192154128.db2.gz OWAROKFBVIZFDH-NSHDSACASA-N 0 3 322.365 0.733 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000153271038 237014530 /nfs/dbraw/zinc/01/45/30/237014530.db2.gz XFRPJUKVZHICBG-AWEZNQCLSA-N 0 3 311.338 0.402 20 5 DCBDHN Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1C ZINC000313823354 291252387 /nfs/dbraw/zinc/25/23/87/291252387.db2.gz LIEXONKGITUUDM-CQSZACIVSA-N 0 3 305.338 0.954 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000493763929 241152078 /nfs/dbraw/zinc/15/20/78/241152078.db2.gz YIVYXTBGFZLIDK-QDDHOEGMSA-N 0 3 305.334 0.741 20 5 DCBDHN CN(CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C1CC1 ZINC000264794924 204162594 /nfs/dbraw/zinc/16/25/94/204162594.db2.gz BFPXUFVFCACIAU-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCNCC1 ZINC000238170115 284606936 /nfs/dbraw/zinc/60/69/36/284606936.db2.gz UQJDPGWQTRIWHB-UHFFFAOYSA-N 0 3 316.317 0.872 20 5 DCBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330732449 533592542 /nfs/dbraw/zinc/59/25/42/533592542.db2.gz JNHOCNUKKIPSAT-SNVBAGLBSA-N 0 3 310.358 0.375 20 5 DCBDHN CNC(=O)CN1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000237130634 395903574 /nfs/dbraw/zinc/90/35/74/395903574.db2.gz PLBUGBKDCHXUOG-UHFFFAOYSA-N 0 3 306.366 0.895 20 5 DCBDHN C[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237449357 395912473 /nfs/dbraw/zinc/91/24/73/395912473.db2.gz YCRRIYDEMJRQJY-MRVPVSSYSA-N 0 3 312.351 0.288 20 5 DCBDHN CNCCN(C)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000070303829 396101130 /nfs/dbraw/zinc/10/11/30/396101130.db2.gz KWMYFKFTBARVNX-UHFFFAOYSA-N 0 3 303.340 0.443 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177046409 396165645 /nfs/dbraw/zinc/16/56/45/396165645.db2.gz BWKQGEHPHRUHEB-KOLCDFICSA-N 0 3 307.354 0.841 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(CCO)CCCO)c1 ZINC000264646444 396298385 /nfs/dbraw/zinc/29/83/85/396298385.db2.gz WYYWMDALZZKBBE-ZDUSSCGKSA-N 0 3 314.338 0.011 20 5 DCBDHN COc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000287990728 396436214 /nfs/dbraw/zinc/43/62/14/396436214.db2.gz AUOZORJMBMDJHL-VIFPVBQESA-N 0 3 324.337 0.608 20 5 DCBDHN O=C1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1 ZINC000595286680 396580641 /nfs/dbraw/zinc/58/06/41/396580641.db2.gz JLVOFTJTPQNACN-LLVKDONJSA-N 0 3 305.338 0.248 20 5 DCBDHN CN1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C1 ZINC000586782150 396665438 /nfs/dbraw/zinc/66/54/38/396665438.db2.gz JWBBXCIUIJGNBI-NSHDSACASA-N 0 3 322.369 0.170 20 5 DCBDHN C[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000595978770 396702222 /nfs/dbraw/zinc/70/22/22/396702222.db2.gz OIZCAPZFIFGHPE-MNOVXSKESA-N 0 3 308.338 0.342 20 5 DCBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)S1 ZINC000304285233 396728824 /nfs/dbraw/zinc/72/88/24/396728824.db2.gz FNLYYKBKRCXULF-JFGNBEQYSA-N 0 3 300.384 0.978 20 5 DCBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@]1(O)CCOC1)OCCO2 ZINC000611108430 396818451 /nfs/dbraw/zinc/81/84/51/396818451.db2.gz QHUFILBGXMPOIY-CQSZACIVSA-N 0 3 310.306 0.607 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000591270625 396891822 /nfs/dbraw/zinc/89/18/22/396891822.db2.gz ZCUBTARRSNKQAU-NSHDSACASA-N 0 3 323.353 0.710 20 5 DCBDHN CN1CCC(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000591589369 396932025 /nfs/dbraw/zinc/93/20/25/396932025.db2.gz CHMJYLMQCMMZER-UHFFFAOYSA-N 0 3 322.369 0.728 20 5 DCBDHN CC[C@@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591728507 396992439 /nfs/dbraw/zinc/99/24/39/396992439.db2.gz OCPSRQVVRKTPMO-LLVKDONJSA-N 0 3 317.367 0.234 20 5 DCBDHN Cc1cc(OCC(=O)N[C@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000597655001 397046534 /nfs/dbraw/zinc/04/65/34/397046534.db2.gz XELYMYMHMSEKQK-NSHDSACASA-N 0 3 311.338 0.321 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000597653549 397046884 /nfs/dbraw/zinc/04/68/84/397046884.db2.gz LGBJJQFSQIOSIM-NSHDSACASA-N 0 3 309.366 0.911 20 5 DCBDHN C[C@@H](C(=O)NC[C@@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572461758 397060416 /nfs/dbraw/zinc/06/04/16/397060416.db2.gz ODOLPABVMALZSY-ABAIWWIYSA-N 0 3 307.350 0.881 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H](O)C(F)(F)F)c1 ZINC000592432084 397176393 /nfs/dbraw/zinc/17/63/93/397176393.db2.gz LGKUYLYFXWHDEJ-GXSJLCMTSA-N 0 3 324.255 0.847 20 5 DCBDHN C[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1CN ZINC000592471054 397185475 /nfs/dbraw/zinc/18/54/75/397185475.db2.gz LDLNPHAOJBCPDD-QWRGUYRKSA-N 0 3 308.338 0.342 20 5 DCBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000619785217 397192868 /nfs/dbraw/zinc/19/28/68/397192868.db2.gz OVUFCBMUGRPYFA-UHFFFAOYSA-N 0 3 302.294 0.675 20 5 DCBDHN CCCN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000598341900 397216321 /nfs/dbraw/zinc/21/63/21/397216321.db2.gz HZLZLDFKPZZTJW-LLVKDONJSA-N 0 3 308.338 0.357 20 5 DCBDHN COc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000386757154 397289215 /nfs/dbraw/zinc/28/92/15/397289215.db2.gz FTNZVYQFHIRUOG-ZDUSSCGKSA-N 0 3 306.322 0.951 20 5 DCBDHN CN1C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000574392793 397261921 /nfs/dbraw/zinc/26/19/21/397261921.db2.gz HCWGBNGVQRSQFZ-MNOVXSKESA-N 0 3 309.322 0.155 20 5 DCBDHN C[C@@H](CO)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000593085817 397321965 /nfs/dbraw/zinc/32/19/65/397321965.db2.gz XQCBZHMJUFCBNF-SMDDNHRTSA-N 0 3 312.370 0.493 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](N2CCOCC2)C1 ZINC000602836676 397498606 /nfs/dbraw/zinc/49/86/06/397498606.db2.gz QQLOMTWMAXLXEG-CQSZACIVSA-N 0 3 323.397 0.896 20 5 DCBDHN CCN(C)CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000112926835 158143423 /nfs/dbraw/zinc/14/34/23/158143423.db2.gz UVZAMIJPUWBGBT-UHFFFAOYSA-N 0 3 309.322 0.854 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000266768168 158893371 /nfs/dbraw/zinc/89/33/71/158893371.db2.gz RMJLCXDTXXUTQO-ZDUSSCGKSA-N 0 3 320.353 0.755 20 5 DCBDHN O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CCCNCC1 ZINC000419045290 287263655 /nfs/dbraw/zinc/26/36/55/287263655.db2.gz VWSNDQGYTKEVGK-UHFFFAOYSA-N 0 3 320.349 0.075 20 5 DCBDHN COC(=O)CC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343422478 415594755 /nfs/dbraw/zinc/59/47/55/415594755.db2.gz VDUZYSHHZKGPRO-CYBMUJFWSA-N 0 3 321.333 0.760 20 5 DCBDHN O=C([C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1)N1CCCC1 ZINC000287359501 415660319 /nfs/dbraw/zinc/66/03/19/415660319.db2.gz LUHDHJZBRJWSGC-LBPRGKRZSA-N 0 3 307.354 0.736 20 5 DCBDHN C[C@@H](O)CN(CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289931050 415737864 /nfs/dbraw/zinc/73/78/64/415737864.db2.gz UVGOGMQIQBAONI-DGCLKSJQSA-N 0 3 314.338 0.010 20 5 DCBDHN CN(C[C@@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000290748229 415822726 /nfs/dbraw/zinc/82/27/26/415822726.db2.gz IJOKNBJCPPFVJF-LLVKDONJSA-N 0 3 319.317 0.646 20 5 DCBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)CN1CCN(C)CC1 ZINC000122099506 415825294 /nfs/dbraw/zinc/82/52/94/415825294.db2.gz OUBXGPSELUILMJ-NSHDSACASA-N 0 3 310.354 0.801 20 5 DCBDHN O=[N+]([O-])c1ccc(NCCCCN2CCN(CCO)CC2)cn1 ZINC000344421728 415912639 /nfs/dbraw/zinc/91/26/39/415912639.db2.gz PPAWYXFVTIZZPJ-UHFFFAOYSA-N 0 3 323.397 0.792 20 5 DCBDHN COC[C@@]1(C(=O)OC)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000296380329 415923880 /nfs/dbraw/zinc/92/38/80/415923880.db2.gz RZQWBTPNTCJCOW-CYBMUJFWSA-N 0 3 312.326 0.303 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356880935 415999221 /nfs/dbraw/zinc/99/92/21/415999221.db2.gz WJXVDVHYNJEOMK-NSHDSACASA-N 0 3 324.385 0.084 20 5 DCBDHN COC[C@@](C)(N)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345158090 416056004 /nfs/dbraw/zinc/05/60/04/416056004.db2.gz DDBRAMXMGVWKTM-LBPRGKRZSA-N 0 3 317.367 0.774 20 5 DCBDHN CNC(=O)NC(=O)C(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000338227400 416061349 /nfs/dbraw/zinc/06/13/49/416061349.db2.gz UPOFZWYEGNKMKG-ZETCQYMHSA-N 0 3 315.307 0.213 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CCCC2)C1 ZINC000161591003 416013756 /nfs/dbraw/zinc/01/37/56/416013756.db2.gz VIUVYQZEOYGIAO-LBPRGKRZSA-N 0 3 322.369 0.671 20 5 DCBDHN CCN(CCO)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000183973341 416249764 /nfs/dbraw/zinc/24/97/64/416249764.db2.gz CDTKEDMDQHUIRM-UHFFFAOYSA-N 0 3 311.338 0.404 20 5 DCBDHN COCC[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193362440 416315800 /nfs/dbraw/zinc/31/58/00/416315800.db2.gz QXCUBXWLEWTYNP-UHFFFAOYSA-N 0 3 309.369 0.171 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1NCCc2ccccc21 ZINC000262411095 416336704 /nfs/dbraw/zinc/33/67/04/416336704.db2.gz QNSVEKKUOYZMJT-CYBMUJFWSA-N 0 3 315.333 0.795 20 5 DCBDHN COCC[NH2+]CC[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420227941 416417522 /nfs/dbraw/zinc/41/75/22/416417522.db2.gz PZXXQNDRGKTGCO-UHFFFAOYSA-N 0 3 307.310 1.293 20 5 DCBDHN CCN1CCN(C[C@H](C)CNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590574375 416528121 /nfs/dbraw/zinc/52/81/21/416528121.db2.gz IMRZNDCHXWBNJU-GFCCVEGCSA-N 0 3 322.413 1.258 20 5 DCBDHN CN(CC(=O)NC[C@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC000423996032 416603661 /nfs/dbraw/zinc/60/36/61/416603661.db2.gz VYBPFBRDVZNSIZ-LLVKDONJSA-N 0 3 308.338 0.136 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCc2cnccn2)c1 ZINC000517359421 416797792 /nfs/dbraw/zinc/79/77/92/416797792.db2.gz COBSZMIRJSMGSE-AWEZNQCLSA-N 0 3 318.333 0.957 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CO)CC(F)(F)F)c1 ZINC000518374754 416852734 /nfs/dbraw/zinc/85/27/34/416852734.db2.gz GQUBAFHRGIWNCU-VXNVDRBHSA-N 0 3 312.248 0.055 20 5 DCBDHN N[C@H]1C[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CCN2C1=O ZINC000519710670 416929062 /nfs/dbraw/zinc/92/90/62/416929062.db2.gz NEAAKMIOBXVQNJ-YUMQZZPRSA-N 0 3 322.350 0.052 20 5 DCBDHN CC(C)C[C@H](C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000568510596 417143878 /nfs/dbraw/zinc/14/38/78/417143878.db2.gz VKBPOEKXPCBHLD-SECBINFHSA-N 0 3 302.356 0.642 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CNCCO1 ZINC000414659563 417291438 /nfs/dbraw/zinc/29/14/38/417291438.db2.gz TURHZKNZDUAEDR-SNVBAGLBSA-N 0 3 310.310 0.713 20 5 DCBDHN CNc1nccc(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000576119571 417582349 /nfs/dbraw/zinc/58/23/49/417582349.db2.gz LBAIDDMHPRSADU-UHFFFAOYSA-N 0 3 307.354 1.199 20 5 DCBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000579142107 417690512 /nfs/dbraw/zinc/69/05/12/417690512.db2.gz ZNXJISNRTLZWSY-SNVBAGLBSA-N 0 3 307.354 1.127 20 5 DCBDHN CNc1nccc(C(=O)NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000577624969 417678342 /nfs/dbraw/zinc/67/83/42/417678342.db2.gz ZYTGANJFUYPKLF-UHFFFAOYSA-N 0 3 305.338 1.023 20 5 DCBDHN COCCN(CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411221301 262167341 /nfs/dbraw/zinc/16/73/41/262167341.db2.gz URQLSZIACKROKI-UHFFFAOYSA-N 0 3 311.338 0.864 20 5 DCBDHN C[C@H](NC(=O)C(=O)N1CCC[C@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000418773342 262288652 /nfs/dbraw/zinc/28/86/52/262288652.db2.gz BXYMSEYCEBATKU-GWCFXTLKSA-N 0 3 320.349 0.722 20 5 DCBDHN O=C(C[C@H]1CNCCO1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000429718222 271456586 /nfs/dbraw/zinc/45/65/86/271456586.db2.gz JGYBTFGVGNKVHW-ZDUSSCGKSA-N 0 3 308.338 0.501 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000492561461 272135117 /nfs/dbraw/zinc/13/51/17/272135117.db2.gz KGSNVYBKOOIFJX-YVACAVLKSA-N 0 3 305.334 0.791 20 5 DCBDHN Cc1ccccc1[C@H](CO)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000541053168 287915812 /nfs/dbraw/zinc/91/58/12/287915812.db2.gz GGOYDMXLRMHGJU-ZFWWWQNUSA-N 0 3 320.349 0.784 20 5 DCBDHN COc1ccc(CC(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000545860964 288003223 /nfs/dbraw/zinc/00/32/23/288003223.db2.gz DXLWVQDWPMDLPO-HNNXBMFYSA-N 0 3 323.349 0.329 20 5 DCBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549204044 288194598 /nfs/dbraw/zinc/19/45/98/288194598.db2.gz FJNHGBOJVGBONI-JTQLQIEISA-N 0 3 311.342 0.501 20 5 DCBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000157369431 524908379 /nfs/dbraw/zinc/90/83/79/524908379.db2.gz GUUNUMUEPULUAH-JTQLQIEISA-N 0 3 315.351 0.170 20 5 DCBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285544171 535704884 /nfs/dbraw/zinc/70/48/84/535704884.db2.gz LTNBWTVXVNJPRM-NSHDSACASA-N 0 3 324.385 0.321 20 5 DCBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285544166 535716728 /nfs/dbraw/zinc/71/67/28/535716728.db2.gz LTNBWTVXVNJPRM-LLVKDONJSA-N 0 3 324.385 0.321 20 5 DCBDHN C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736859389 598499202 /nfs/dbraw/zinc/49/92/02/598499202.db2.gz GVOVTPQHCUZYLC-MRVPVSSYSA-N 0 3 304.314 0.676 20 5 DCBDHN C[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736859389 598499204 /nfs/dbraw/zinc/49/92/04/598499204.db2.gz GVOVTPQHCUZYLC-MRVPVSSYSA-N 0 3 304.314 0.676 20 5 DCBDHN C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736859389 598499206 /nfs/dbraw/zinc/49/92/06/598499206.db2.gz GVOVTPQHCUZYLC-MRVPVSSYSA-N 0 3 304.314 0.676 20 5 DCBDHN C[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736859389 598499207 /nfs/dbraw/zinc/49/92/07/598499207.db2.gz GVOVTPQHCUZYLC-MRVPVSSYSA-N 0 3 304.314 0.676 20 5 DCBDHN O=C(N[C@H]1C[C@@H](NCc2coc(C3CC3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064172 658822038 /nfs/dbraw/zinc/82/20/38/658822038.db2.gz ZGLOSXYLCFVOJU-LYIQGSDWSA-N 0 3 320.349 0.954 20 5 DCBDHN C[C@]1(NC(=O)CCn2cc([N+](=O)[O-])cn2)CN2CCC1CC2 ZINC000892788436 659457792 /nfs/dbraw/zinc/45/77/92/659457792.db2.gz CFDGBLANSLGAFC-AWEZNQCLSA-N 0 3 307.354 0.782 20 5 DCBDHN CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(C)C1 ZINC000893753752 661404710 /nfs/dbraw/zinc/40/47/10/661404710.db2.gz TWQIDVMNZHESRS-NSHDSACASA-N 0 3 310.358 0.527 20 5 DCBDHN CN(CCO)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000899735073 663184015 /nfs/dbraw/zinc/18/40/15/663184015.db2.gz VUFKDBIADISREO-UHFFFAOYSA-N 0 3 301.730 0.902 20 5 DCBDHN C[C@@H](C(=O)NCCN(C)CCO)c1ccc([N+](=O)[O-])cc1F ZINC000899738189 663185314 /nfs/dbraw/zinc/18/53/14/663185314.db2.gz WJWWEOOBOZYUFE-SNVBAGLBSA-N 0 3 313.329 0.878 20 5 DCBDHN CN1CCNC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000912113669 664141683 /nfs/dbraw/zinc/14/16/83/664141683.db2.gz PXXJLEHOLBVCRJ-ZDUSSCGKSA-N 0 3 307.354 0.027 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCN(C)CCO ZINC000912604740 664192331 /nfs/dbraw/zinc/19/23/31/664192331.db2.gz NRJYMDIBFYSHPF-UHFFFAOYSA-N 0 3 311.338 0.600 20 5 DCBDHN CN(CCO)CCN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000912611731 664195295 /nfs/dbraw/zinc/19/52/95/664195295.db2.gz WIWQFWFJTJFCFH-UHFFFAOYSA-N 0 3 311.338 0.356 20 5 DCBDHN Cc1cccnc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031661877 665273456 /nfs/dbraw/zinc/27/34/56/665273456.db2.gz LMUFIHBTLZCCPX-TZMCWYRMSA-N 0 3 304.350 0.603 20 5 DCBDHN Cc1noc(CCCN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001031661937 665273468 /nfs/dbraw/zinc/27/34/68/665273468.db2.gz NMAHVEHXZVKHIJ-VXGBXAGGSA-N 0 3 323.353 0.024 20 5 DCBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000861344914 666920220 /nfs/dbraw/zinc/92/02/20/666920220.db2.gz VVOOCRLFQMILIE-WCQYABFASA-N 0 3 312.326 0.444 20 5 DCBDHN CN(C)C[C@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000876874158 668525595 /nfs/dbraw/zinc/52/55/95/668525595.db2.gz BPPJIZDPCXHCCO-AWEZNQCLSA-N 0 3 306.366 0.975 20 5 DCBDHN COC(=O)C[C@@]1(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000767033096 668556939 /nfs/dbraw/zinc/55/69/39/668556939.db2.gz SPFPUCYPWCUBFB-HIFRSBDPSA-N 0 3 324.333 0.940 20 5 DCBDHN CC(COC(=O)c1cccc(CN2C(=O)CNC2=O)c1)[N+](=O)[O-] ZINC000813108553 670611446 /nfs/dbraw/zinc/61/14/46/670611446.db2.gz ZNYHFOSBUKNRFG-SECBINFHSA-N 0 3 321.289 0.560 20 5 DCBDHN CC(COC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)[N+](=O)[O-] ZINC000813104273 670612076 /nfs/dbraw/zinc/61/20/76/670612076.db2.gz LHAABBHYXIKPHH-QMMMGPOBSA-N 0 3 319.339 0.097 20 5 DCBDHN CC(COC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)[N+](=O)[O-] ZINC000813109930 670612130 /nfs/dbraw/zinc/61/21/30/670612130.db2.gz QLSXDMHQIJZHQB-SECBINFHSA-N 0 3 306.278 0.393 20 5 DCBDHN CC(COC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N+](=O)[O-] ZINC000813111183 670612155 /nfs/dbraw/zinc/61/21/55/670612155.db2.gz PVIGBTLTVNDGSK-DBIOUOCHSA-N 0 3 312.322 0.759 20 5 DCBDHN CC(COC(=O)c1sccc1S(=O)(=O)N(C)C)[N+](=O)[O-] ZINC000813115132 670613338 /nfs/dbraw/zinc/61/33/38/670613338.db2.gz KZXIENHEXSIIHD-ZETCQYMHSA-N 0 3 322.364 0.820 20 5 DCBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CNCCO1 ZINC000818008294 670961765 /nfs/dbraw/zinc/96/17/65/670961765.db2.gz RWHSCMMDVBVPQQ-NSHDSACASA-N 0 3 308.338 0.379 20 5 DCBDHN CCS(=O)(=O)NCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818955371 671079994 /nfs/dbraw/zinc/07/99/94/671079994.db2.gz TZTRYLZMAIGEDV-GFCCVEGCSA-N 0 3 317.367 0.157 20 5 DCBDHN CCS(=O)(=O)NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818955372 671080054 /nfs/dbraw/zinc/08/00/54/671080054.db2.gz TZTRYLZMAIGEDV-LBPRGKRZSA-N 0 3 317.367 0.157 20 5 DCBDHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000833336561 671747204 /nfs/dbraw/zinc/74/72/04/671747204.db2.gz FOOUOSQLBLFPCR-FPMFFAJLSA-N 0 3 305.334 0.791 20 5 DCBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(F)cn1 ZINC001567331646 1160315164 /nfs/dbraw/zinc/31/51/64/1160315164.db2.gz DMINCPATARAQKZ-CHWSQXEVSA-N 0 3 310.329 0.824 20 5 DCBDHN CCN1CC[C@@H]1CNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001577766972 1164785350 /nfs/dbraw/zinc/78/53/50/1164785350.db2.gz FAUJYTAHMXKVSJ-UKRRQHHQSA-N 0 3 306.366 0.979 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CNCCO2)c1 ZINC001579242138 1165248017 /nfs/dbraw/zinc/24/80/17/1165248017.db2.gz KAOOOYWFHFAMDR-AWEZNQCLSA-N 0 3 309.322 0.712 20 5 DCBDHN C[C@@H](CO)[C@@H](C)[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589887245 1166709125 /nfs/dbraw/zinc/70/91/25/1166709125.db2.gz PWOSHGDUUMZIQR-DTWKUNHWSA-N 0 3 306.326 0.881 20 5 DCBDHN C[C@@H](CO)[C@@H](C)[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589887245 1166709128 /nfs/dbraw/zinc/70/91/28/1166709128.db2.gz PWOSHGDUUMZIQR-DTWKUNHWSA-N 0 3 306.326 0.881 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001593482741 1167867085 /nfs/dbraw/zinc/86/70/85/1167867085.db2.gz RDJMLFINKKIVBE-AOOOYVTPSA-N 0 3 316.321 0.853 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001593482741 1167867104 /nfs/dbraw/zinc/86/71/04/1167867104.db2.gz RDJMLFINKKIVBE-AOOOYVTPSA-N 0 3 316.321 0.853 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001593482741 1167867117 /nfs/dbraw/zinc/86/71/17/1167867117.db2.gz RDJMLFINKKIVBE-AOOOYVTPSA-N 0 3 316.321 0.853 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001593482741 1167867129 /nfs/dbraw/zinc/86/71/29/1167867129.db2.gz RDJMLFINKKIVBE-AOOOYVTPSA-N 0 3 316.321 0.853 20 5 DCBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001636885132 1171752143 /nfs/dbraw/zinc/75/21/43/1171752143.db2.gz ULHXNGZXAFGDEB-VXGBXAGGSA-N 0 3 308.338 0.594 20 5 DCBDHN CN(CCO)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001644751358 1172021253 /nfs/dbraw/zinc/02/12/53/1172021253.db2.gz VRFKRAHWWSKOQB-UHFFFAOYSA-N 0 3 311.338 0.404 20 5 DCBDHN CN1CCC[C@@H]2[C@H]1CCN2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001651383831 1173748290 /nfs/dbraw/zinc/74/82/90/1173748290.db2.gz PFQVKJOZUFMSBD-GHMZBOCLSA-N 0 3 305.338 0.762 20 5 DCBDHN CCN(C)[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC001657489820 1173912318 /nfs/dbraw/zinc/91/23/18/1173912318.db2.gz WLKPSWAMFUXYBT-JTQLQIEISA-N 0 3 314.367 0.705 20 5 DCBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cc[nH]c1 ZINC001716543681 1182434747 /nfs/dbraw/zinc/43/47/47/1182434747.db2.gz WGMSIVHZBKNGTL-UHFFFAOYSA-N 0 3 320.353 0.908 20 5 DCBDHN CN(CCNC(=O)c1ncn[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001731789279 1185487494 /nfs/dbraw/zinc/48/74/94/1185487494.db2.gz ZFDNHIDDHVUPOR-UHFFFAOYSA-N 0 3 304.310 0.575 20 5 DCBDHN CN(CCNC(=O)c1nc[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC001731789279 1185487497 /nfs/dbraw/zinc/48/74/97/1185487497.db2.gz ZFDNHIDDHVUPOR-UHFFFAOYSA-N 0 3 304.310 0.575 20 5 DCBDHN NC(=O)C(=O)NCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001752277948 1188410904 /nfs/dbraw/zinc/41/09/04/1188410904.db2.gz KUIANXHEBKYKCJ-UHFFFAOYSA-N 0 3 320.349 0.551 20 5 DCBDHN Cc1nnsc1CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001754119547 1188749378 /nfs/dbraw/zinc/74/93/78/1188749378.db2.gz MLOCWHXTFFLEIC-JAFKPYBISA-N 0 3 311.367 0.274 20 5 DCBDHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)CC(N)=O ZINC001754363379 1188832301 /nfs/dbraw/zinc/83/23/01/1188832301.db2.gz XTDRPVYDIHFPLC-UHFFFAOYSA-N 0 3 308.338 0.408 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1=COCCO1 ZINC001123019237 751217849 /nfs/dbraw/zinc/21/78/49/751217849.db2.gz ABCZEUHWBRUEAQ-UHFFFAOYSA-N 0 3 307.306 0.689 20 5 DCBDHN CN(c1ccc2nsnc2c1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164297089 756715154 /nfs/dbraw/zinc/71/51/54/756715154.db2.gz JXWUGQGHDRWGGU-UHFFFAOYSA-N 0 3 317.352 0.324 20 5 DCBDHN Cc1nc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC001086363086 760101188 /nfs/dbraw/zinc/10/11/88/760101188.db2.gz ANGBVHWLLGUCQR-FPQZTECRSA-N 0 3 308.338 0.633 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1c[nH]c(=O)cn1 ZINC001133013487 764793897 /nfs/dbraw/zinc/79/38/97/764793897.db2.gz LGHZWOKMXUUPQE-UHFFFAOYSA-N 0 3 317.305 0.198 20 5 DCBDHN CSCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154424607 770175690 /nfs/dbraw/zinc/17/56/90/770175690.db2.gz HERDFGIAFZFIIN-UHFFFAOYSA-N 0 3 301.372 0.287 20 5 DCBDHN O=[N+]([O-])c1cnc(NCc2ncccc2[O-])nc1C1C[NH2+]C1 ZINC001158776400 771820868 /nfs/dbraw/zinc/82/08/68/771820868.db2.gz VXJGWXSHRVLUNL-UHFFFAOYSA-N 0 3 302.294 0.784 20 5 DCBDHN Cc1c[n+]([O-])c(NCc2nnn3c2CNCCC3)cc1[N+](=O)[O-] ZINC001162973437 772438138 /nfs/dbraw/zinc/43/81/38/772438138.db2.gz TXPOTBMWFQJPAW-UHFFFAOYSA-N 0 3 319.325 0.234 20 5 DCBDHN CC(C)(O)C[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001191763497 772815292 /nfs/dbraw/zinc/81/52/92/772815292.db2.gz JZIAVZHXWMMJDJ-DGCLKSJQSA-N 0 3 324.381 0.998 20 5 DCBDHN CC(C)(O)C[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001191763494 772815321 /nfs/dbraw/zinc/81/53/21/772815321.db2.gz JZIAVZHXWMMJDJ-AAEUAGOBSA-N 0 3 324.381 0.998 20 5 DCBDHN CCOC(=O)[C@@H]1CNCCN1CCOc1ccccc1[N+](=O)[O-] ZINC001326309822 948125714 /nfs/dbraw/zinc/12/57/14/948125714.db2.gz QWMLAIDZILHSON-ZDUSSCGKSA-N 0 3 323.349 0.811 20 5 DCBDHN CN(C)CCONC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001329295643 949486744 /nfs/dbraw/zinc/48/67/44/949486744.db2.gz ODCTYXOIQAJBAO-UHFFFAOYSA-N 0 3 311.294 0.589 20 5 DCBDHN Cc1nc(N2CC(CN3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC001334936006 952416348 /nfs/dbraw/zinc/41/63/48/952416348.db2.gz OVWVFNRMNCQOTQ-UHFFFAOYSA-N 0 3 306.370 0.377 20 5 DCBDHN Nc1cc(N2CCN(C[C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001339610136 953105826 /nfs/dbraw/zinc/10/58/26/953105826.db2.gz LSOQQMWEVIANBL-NSHDSACASA-N 0 3 307.354 0.731 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCN(C)CCO)n1 ZINC001458492149 1012195118 /nfs/dbraw/zinc/19/51/18/1012195118.db2.gz WKIMISJDMUCSPB-UHFFFAOYSA-N 0 3 312.326 0.137 20 5 DCBDHN Cc1cc(OCC(=O)NCCN(C)CCO)ccc1[N+](=O)[O-] ZINC001558358776 1012351589 /nfs/dbraw/zinc/35/15/89/1012351589.db2.gz DTLRGJAICLUATJ-UHFFFAOYSA-N 0 3 311.338 0.322 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c1 ZINC001460887035 1012984357 /nfs/dbraw/zinc/98/43/57/1012984357.db2.gz AZCRSIZXILIKNY-GASCZTMLSA-N 0 3 324.381 0.638 20 5 DCBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330706835 529887435 /nfs/dbraw/zinc/88/74/35/529887435.db2.gz LNLVUTBGCOHGFA-UHFFFAOYSA-N 0 3 309.370 0.632 20 5 DCBDHN C[C@@H]1CN(CC(C)(C)O)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000189434477 237398732 /nfs/dbraw/zinc/39/87/32/237398732.db2.gz DIFRZUJNDPRBGO-GFCCVEGCSA-N 0 3 311.386 0.568 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(CO)c2)c1 ZINC000320160994 291257255 /nfs/dbraw/zinc/25/72/55/291257255.db2.gz IALQZIDILSRCBG-AWEZNQCLSA-N 0 3 306.322 0.434 20 5 DCBDHN COC(=O)[C@H]1C[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000566119037 291271627 /nfs/dbraw/zinc/27/16/27/291271627.db2.gz OUEXOJMHUMVCMT-GRYCIOLGSA-N 0 3 324.333 0.876 20 5 DCBDHN CCOc1cccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000566490498 291307491 /nfs/dbraw/zinc/30/74/91/291307491.db2.gz KBMXDAYOIUOPJX-WDEREUQCSA-N 0 3 320.349 0.742 20 5 DCBDHN Cc1ccc([C@@H](C)NCC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000567375302 291352085 /nfs/dbraw/zinc/35/20/85/291352085.db2.gz ORIOLKXCCUPSQA-GFCCVEGCSA-N 0 3 306.366 0.986 20 5 DCBDHN CN1CC[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000562995980 288614325 /nfs/dbraw/zinc/61/43/25/288614325.db2.gz NDOUSCDXDIHYQH-WCQYABFASA-N 0 3 309.322 0.155 20 5 DCBDHN C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])n[n-]2)C[C@H](C)O1 ZINC000285451940 131169536 /nfs/dbraw/zinc/16/95/36/131169536.db2.gz MSIYEXUFVUBAEO-AOOOYVTPSA-N 0 3 311.342 0.547 20 5 DCBDHN C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])n[n-]2)C[C@H](C)O1 ZINC000285451940 131169538 /nfs/dbraw/zinc/16/95/38/131169538.db2.gz MSIYEXUFVUBAEO-AOOOYVTPSA-N 0 3 311.342 0.547 20 5 DCBDHN CCN1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112918356 395825678 /nfs/dbraw/zinc/82/56/78/395825678.db2.gz UVKIIOXFEBEBHD-UHFFFAOYSA-N 0 3 320.393 0.891 20 5 DCBDHN COCCNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000216304839 395837455 /nfs/dbraw/zinc/83/74/55/395837455.db2.gz LVSSPQITFKEDEW-UHFFFAOYSA-N 0 3 303.340 0.109 20 5 DCBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)N(C)C ZINC000047639028 395798596 /nfs/dbraw/zinc/79/85/96/395798596.db2.gz LESJGLYLFCRBMX-GHMZBOCLSA-N 0 3 322.365 0.779 20 5 DCBDHN CN1CC[C@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272537031 395897801 /nfs/dbraw/zinc/89/78/01/395897801.db2.gz BPTIEYOUOFZOMT-WCQYABFASA-N 0 3 307.354 0.734 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@@]2(C)CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000230736691 395881883 /nfs/dbraw/zinc/88/18/83/395881883.db2.gz UICSVSZBZQFBDE-LBPRGKRZSA-N 0 3 315.351 0.634 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000154757107 396042448 /nfs/dbraw/zinc/04/24/48/396042448.db2.gz PDSLCIVLZNXGMQ-UHFFFAOYSA-N 0 3 308.338 0.862 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@H]1c1cccnc1 ZINC000261768710 396063708 /nfs/dbraw/zinc/06/37/08/396063708.db2.gz ORXBUNXWKOKIQY-LBPRGKRZSA-N 0 3 302.338 0.870 20 5 DCBDHN O=C(CCN1CCc2ccc([N+](=O)[O-])cc2C1)N1CCNCC1 ZINC000262006675 396089457 /nfs/dbraw/zinc/08/94/57/396089457.db2.gz FCEZFSKOSIJUSU-UHFFFAOYSA-N 0 3 318.377 0.775 20 5 DCBDHN COC[C@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000069911629 396094638 /nfs/dbraw/zinc/09/46/38/396094638.db2.gz PJCUKGBAXNAVQU-CQSZACIVSA-N 0 3 312.322 0.853 20 5 DCBDHN N[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000261880917 396075353 /nfs/dbraw/zinc/07/53/53/396075353.db2.gz UOUMEZXEWKYBQM-AWEZNQCLSA-N 0 3 322.365 0.877 20 5 DCBDHN CC(C)CN1CCO[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000179264919 396225036 /nfs/dbraw/zinc/22/50/36/396225036.db2.gz FXIFMMGYVYUXLB-JTQLQIEISA-N 0 3 311.342 0.405 20 5 DCBDHN CCN1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000264666900 396301138 /nfs/dbraw/zinc/30/11/38/396301138.db2.gz XNENKIZSSLAWGF-UHFFFAOYSA-N 0 3 308.338 0.311 20 5 DCBDHN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@@H+]1C[C@@H](C)O ZINC000286105732 396375307 /nfs/dbraw/zinc/37/53/07/396375307.db2.gz NJYQTQYHYNANNT-ZJUUUORDSA-N 0 3 311.342 0.235 20 5 DCBDHN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC[N@H+]1C[C@@H](C)O ZINC000286105732 396375309 /nfs/dbraw/zinc/37/53/09/396375309.db2.gz NJYQTQYHYNANNT-ZJUUUORDSA-N 0 3 311.342 0.235 20 5 DCBDHN C[C@@H]1CN(CC(C)(C)O)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000189474763 396396055 /nfs/dbraw/zinc/39/60/55/396396055.db2.gz CUKBRYOZHKARJJ-GFCCVEGCSA-N 0 3 311.386 0.568 20 5 DCBDHN CN1CCC(Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000269361060 396410033 /nfs/dbraw/zinc/41/00/33/396410033.db2.gz MSVWGTRHBOIQAL-UHFFFAOYSA-N 0 3 314.367 0.748 20 5 DCBDHN CN1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192726608 396436574 /nfs/dbraw/zinc/43/65/74/396436574.db2.gz HRAKVFFECXERPU-UHFFFAOYSA-N 0 3 320.349 0.489 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H]2O)cc1 ZINC000581131733 396528877 /nfs/dbraw/zinc/52/88/77/396528877.db2.gz PYCNYZCHQLQXJP-CHWSQXEVSA-N 0 3 314.363 0.872 20 5 DCBDHN COC(=O)COc1ccc(CN[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000595001088 396544952 /nfs/dbraw/zinc/54/49/52/396544952.db2.gz QIIPZAVFDZZARI-XYPYZODXSA-N 0 3 310.306 0.760 20 5 DCBDHN [NH3+]C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000595120758 396552692 /nfs/dbraw/zinc/55/26/92/396552692.db2.gz ULJCCKYPWZMSRG-UHFFFAOYSA-N 0 3 300.340 0.540 20 5 DCBDHN N[C@H]1C[C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2C1=O ZINC000581559205 396565614 /nfs/dbraw/zinc/56/56/14/396565614.db2.gz QGSUHABHJLZYRO-UWVGGRQHSA-N 0 3 316.321 0.219 20 5 DCBDHN NC(=O)C1(NCCOc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000595728201 396653148 /nfs/dbraw/zinc/65/31/48/396653148.db2.gz LPCBYHFYQXDQOL-UHFFFAOYSA-N 0 3 309.322 0.598 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCc1cnccn1 ZINC000581879760 396588832 /nfs/dbraw/zinc/58/88/32/396588832.db2.gz YLRFPDLYSSXLAE-ZDUSSCGKSA-N 0 3 318.333 0.957 20 5 DCBDHN CN1C[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715446 396617355 /nfs/dbraw/zinc/61/73/55/396617355.db2.gz UKROQKBRJJXARW-CMPLNLGQSA-N 0 3 309.322 0.155 20 5 DCBDHN Cn1cnc(CCNC[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000562990200 396691333 /nfs/dbraw/zinc/69/13/33/396691333.db2.gz FYFSSLBYDFFSMF-NSHDSACASA-N 0 3 321.337 0.295 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000588864350 396696595 /nfs/dbraw/zinc/69/65/95/396696595.db2.gz FOKLNLCNXJJWOX-MRVPVSSYSA-N 0 3 301.730 0.901 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000588864760 396697210 /nfs/dbraw/zinc/69/72/10/396697210.db2.gz QPDYJMLFJHXQSC-MRVPVSSYSA-N 0 3 301.730 0.901 20 5 DCBDHN Cc1c(CC(=O)N2CCN(C)C[C@H]2CN)cccc1[N+](=O)[O-] ZINC000563101740 396702414 /nfs/dbraw/zinc/70/24/14/396702414.db2.gz LMZQTAZQFOQQJN-CYBMUJFWSA-N 0 3 306.366 0.547 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H](O)C(F)F)c1 ZINC000563887323 396789176 /nfs/dbraw/zinc/78/91/76/396789176.db2.gz GFLZHQDFIADULS-GXSJLCMTSA-N 0 3 306.265 0.550 20 5 DCBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)S1 ZINC000304285225 396728774 /nfs/dbraw/zinc/72/87/74/396728774.db2.gz FNLYYKBKRCXULF-CKYFFXLPSA-N 0 3 300.384 0.978 20 5 DCBDHN C[C@@H](c1cnn(C)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305858561 396754377 /nfs/dbraw/zinc/75/43/77/396754377.db2.gz WUFKOHLZLSNBEM-GXFFZTMASA-N 0 3 308.342 0.579 20 5 DCBDHN Cc1nn(CCC(=O)N2C[C@H]3CCN(C)[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000590776543 396841187 /nfs/dbraw/zinc/84/11/87/396841187.db2.gz WTBHYDSOYMFPAM-OLZOCXBDSA-N 0 3 321.381 0.961 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000571946628 397003856 /nfs/dbraw/zinc/00/38/56/397003856.db2.gz GFGULPUIIKKKSW-NSHDSACASA-N 0 3 322.365 0.699 20 5 DCBDHN Cc1cc(S(=O)(=O)N(C)C2CNC2)c(F)cc1[N+](=O)[O-] ZINC000601341591 397067167 /nfs/dbraw/zinc/06/71/67/397067167.db2.gz GQTKSQWWBBNFIB-UHFFFAOYSA-N 0 3 303.315 0.635 20 5 DCBDHN COC(=O)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C1CC1 ZINC000593131549 397332903 /nfs/dbraw/zinc/33/29/03/397332903.db2.gz NXDXUFQVCYTXCN-NWDGAFQWSA-N 0 3 308.338 0.922 20 5 DCBDHN Cc1cc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc([N+](=O)[O-])c1 ZINC000578276401 397414420 /nfs/dbraw/zinc/41/44/20/397414420.db2.gz LLUKQXVUUCDYMP-LLVKDONJSA-N 0 3 322.365 0.699 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCCOc2ccccc2F)c1 ZINC000579911176 397597320 /nfs/dbraw/zinc/59/73/20/397597320.db2.gz PDETWNTUJBCEPC-LBPRGKRZSA-N 0 3 324.312 0.960 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(C3CCC3)CC2)c1 ZINC000610369606 397817157 /nfs/dbraw/zinc/81/71/57/397817157.db2.gz ZPVZVDVHKAQJQP-CQSZACIVSA-N 0 3 309.370 0.322 20 5 DCBDHN Nc1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000321806252 159011922 /nfs/dbraw/zinc/01/19/22/159011922.db2.gz YHWIKHHBYHWKDM-MNOVXSKESA-N 0 3 320.349 0.770 20 5 DCBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000367780084 159356054 /nfs/dbraw/zinc/35/60/54/159356054.db2.gz PGHLXESCOHXCFX-UWVGGRQHSA-N 0 3 317.342 0.882 20 5 DCBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000367908553 159364418 /nfs/dbraw/zinc/36/44/18/159364418.db2.gz VWACOKJURKVNQG-MNOVXSKESA-N 0 3 321.337 0.396 20 5 DCBDHN COCCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000141503153 287029861 /nfs/dbraw/zinc/02/98/61/287029861.db2.gz GBJNSGFRZAUEBZ-UHFFFAOYSA-N 0 3 311.342 0.018 20 5 DCBDHN NC(=O)[C@H](Cc1ccc(F)cc1)NCCn1cc([N+](=O)[O-])cn1 ZINC000273047660 415305705 /nfs/dbraw/zinc/30/57/05/415305705.db2.gz WLCKOBBECVWKLX-ZDUSSCGKSA-N 0 3 321.312 0.617 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]2(O)CCN(C)C2)n1 ZINC000342833073 415309751 /nfs/dbraw/zinc/30/97/51/415309751.db2.gz WUVCYFYOLGEPJL-CYBMUJFWSA-N 0 3 310.310 0.255 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1COC[C@H]1O ZINC000352807649 415327046 /nfs/dbraw/zinc/32/70/46/415327046.db2.gz WYIHYCJQYFLWPO-UONOGXRCSA-N 0 3 323.349 0.923 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C ZINC000281609786 415557133 /nfs/dbraw/zinc/55/71/33/415557133.db2.gz CGWKFYMKALQBDT-UHFFFAOYSA-N 0 3 324.337 0.610 20 5 DCBDHN COC(=O)CC[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000288774172 415686673 /nfs/dbraw/zinc/68/66/73/415686673.db2.gz PMZSWRBOHPLTIV-NSHDSACASA-N 0 3 309.322 0.834 20 5 DCBDHN CN(C[C@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000290748231 415824244 /nfs/dbraw/zinc/82/42/44/415824244.db2.gz IJOKNBJCPPFVJF-NSHDSACASA-N 0 3 319.317 0.646 20 5 DCBDHN COc1c(C(=O)NCC2(O)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000356261495 415893452 /nfs/dbraw/zinc/89/34/52/415893452.db2.gz JSJMNZXPGVQOCV-UHFFFAOYSA-N 0 3 323.349 0.790 20 5 DCBDHN CCCc1n[nH]c(C(=O)NC[C@](C)(O)CN(C)C)c1[N+](=O)[O-] ZINC000153325718 415978979 /nfs/dbraw/zinc/97/89/79/415978979.db2.gz YCKSBGDSOAELFG-ZDUSSCGKSA-N 0 3 313.358 0.313 20 5 DCBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000344760120 415983620 /nfs/dbraw/zinc/98/36/20/415983620.db2.gz OAEDIJJGAZBIPF-LBPRGKRZSA-N 0 3 323.397 0.926 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000173365139 416056661 /nfs/dbraw/zinc/05/66/61/416056661.db2.gz OYLNKPSOHHEUAC-AAEUAGOBSA-N 0 3 320.353 0.755 20 5 DCBDHN O=C(Cc1ccccc1[N+](=O)[O-])NCC1CCN(CCO)CC1 ZINC000160698952 416009273 /nfs/dbraw/zinc/00/92/73/416009273.db2.gz YHPFUAKCBADJJC-UHFFFAOYSA-N 0 3 321.377 0.958 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000358080176 416190050 /nfs/dbraw/zinc/19/00/50/416190050.db2.gz ZUEJYHABROMCHN-OAHLLOKOSA-N 0 3 307.350 0.710 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCN(C[C@@H]3CCOC3)CC2)n1 ZINC000178485727 416164122 /nfs/dbraw/zinc/16/41/22/416164122.db2.gz RVEWJOVSCLNKFK-ZDUSSCGKSA-N 0 3 309.370 0.445 20 5 DCBDHN CCN(CCO)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000183957903 416250987 /nfs/dbraw/zinc/25/09/87/416250987.db2.gz UGBAIJNBAKIELL-UHFFFAOYSA-N 0 3 311.338 0.647 20 5 DCBDHN C[C@H](CN)N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415416899 416342435 /nfs/dbraw/zinc/34/24/35/416342435.db2.gz LLDIVSGHNDRSBZ-SSDOTTSWSA-N 0 3 314.729 0.992 20 5 DCBDHN CN(C)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1O ZINC000359965988 416367199 /nfs/dbraw/zinc/36/71/99/416367199.db2.gz ILDOJNMEIMUTJS-NEPJUHHUSA-N 0 3 303.322 0.649 20 5 DCBDHN CN(CCN)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419354482 416400527 /nfs/dbraw/zinc/40/05/27/416400527.db2.gz QVNFZRIKALTGMC-UHFFFAOYSA-N 0 3 322.365 0.451 20 5 DCBDHN CNc1nccc(C(=O)NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000590422884 416526520 /nfs/dbraw/zinc/52/65/20/416526520.db2.gz KCYIAOKKYHFTST-NSHDSACASA-N 0 3 321.381 1.493 20 5 DCBDHN CCO[C@@H]1COCC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000362027201 416546827 /nfs/dbraw/zinc/54/68/27/416546827.db2.gz NRJSKZYETZWBMT-QWHCGFSZSA-N 0 3 311.338 0.540 20 5 DCBDHN COCCN(C)CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000537180277 416551568 /nfs/dbraw/zinc/55/15/68/416551568.db2.gz LEMVUDGGSAAOQP-UHFFFAOYSA-N 0 3 311.342 0.270 20 5 DCBDHN O=[N+]([O-])c1cccc2ncnc(NCCN3CC[C@H](O)C3)c21 ZINC000599199857 416609302 /nfs/dbraw/zinc/60/93/02/416609302.db2.gz UJMZZVSPSMYCIA-JTQLQIEISA-N 0 3 303.322 1.017 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](n3ccnn3)C2)c1 ZINC000425505739 416711865 /nfs/dbraw/zinc/71/18/65/416711865.db2.gz ZBZLVWBSNJJTTC-AAEUAGOBSA-N 0 3 321.341 0.081 20 5 DCBDHN CNc1nccc(C(=O)N2CCC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000561224903 416859757 /nfs/dbraw/zinc/85/97/57/416859757.db2.gz IGODPFZKHTZSPS-JTQLQIEISA-N 0 3 307.354 1.198 20 5 DCBDHN N[C@@H]1C[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489691 416988839 /nfs/dbraw/zinc/98/88/39/416988839.db2.gz BTLZWKFIQPWBOP-UONOGXRCSA-N 0 3 304.350 0.381 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CC[S@@](=O)C2)c1 ZINC000570675363 417381306 /nfs/dbraw/zinc/38/13/06/417381306.db2.gz IEJWNVKQXJDUNX-WOOQEGAKSA-N 0 3 314.363 0.445 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000575329776 417528334 /nfs/dbraw/zinc/52/83/34/417528334.db2.gz QMIONCPVYRRELP-NSHDSACASA-N 0 3 322.365 0.699 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000576220121 417590283 /nfs/dbraw/zinc/59/02/83/417590283.db2.gz DGLFLEGXYKUWPW-NEPJUHHUSA-N 0 3 306.326 0.543 20 5 DCBDHN CN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000316576534 261175828 /nfs/dbraw/zinc/17/58/28/261175828.db2.gz LUBCKXFWZBOAED-ZBKLQPJUSA-N 0 3 304.350 0.709 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000418783605 262289701 /nfs/dbraw/zinc/28/97/01/262289701.db2.gz OUZFBFDFZBFGIA-RNCFNFMXSA-N 0 3 320.349 0.626 20 5 DCBDHN NC(=O)c1ccc(CN[C@@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000359866613 271148920 /nfs/dbraw/zinc/14/89/20/271148920.db2.gz BCHIZLPWWQZQCH-ZDUSSCGKSA-N 0 3 323.349 0.571 20 5 DCBDHN C[C@@H]1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000490320755 272072946 /nfs/dbraw/zinc/07/29/46/272072946.db2.gz RXXAAJJTIFWIPD-MNOVXSKESA-N 0 3 310.358 0.573 20 5 DCBDHN CC[N@H+](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C ZINC000548369719 288136612 /nfs/dbraw/zinc/13/66/12/288136612.db2.gz NIUSDDBRRIWVNH-UHFFFAOYSA-N 0 3 316.383 0.998 20 5 DCBDHN CC[N@@H+](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C ZINC000548369719 288136613 /nfs/dbraw/zinc/13/66/13/288136613.db2.gz NIUSDDBRRIWVNH-UHFFFAOYSA-N 0 3 316.383 0.998 20 5 DCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1csc([N+](=O)[O-])c1 ZINC000556849964 288399905 /nfs/dbraw/zinc/39/99/05/288399905.db2.gz LVRNLOKXTMAQQQ-CYBMUJFWSA-N 0 3 311.363 0.843 20 5 DCBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@@H]1CN ZINC000570395189 332748331 /nfs/dbraw/zinc/74/83/31/332748331.db2.gz HCKPOAVLGAFXMX-LBPRGKRZSA-N 0 3 306.366 0.927 20 5 DCBDHN C[C@H]1C[C@H](C)CN(CCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1 ZINC000582252544 336394809 /nfs/dbraw/zinc/39/48/09/336394809.db2.gz KIYCYNKNLUBORE-QWRGUYRKSA-N 0 3 322.365 0.833 20 5 DCBDHN COc1cc(C(=O)N2CCN(C)C[C@@H]2CN)cc([N+](=O)[O-])c1C ZINC000582785034 337161235 /nfs/dbraw/zinc/16/12/35/337161235.db2.gz ZUMSJILNGWGLGJ-LBPRGKRZSA-N 0 3 322.365 0.627 20 5 DCBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000577443598 341910106 /nfs/dbraw/zinc/91/01/06/341910106.db2.gz UIXZEVAABCBQPT-NSHDSACASA-N 0 3 322.365 0.699 20 5 DCBDHN COC(=O)[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266566840 523950366 /nfs/dbraw/zinc/95/03/66/523950366.db2.gz ZXAFYLSKSNGXPX-JQWIXIFHSA-N 0 3 312.326 0.037 20 5 DCBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000247442635 524562764 /nfs/dbraw/zinc/56/27/64/524562764.db2.gz MALFJCVRCFPHRP-WCQYABFASA-N 0 3 324.385 0.773 20 5 DCBDHN Cc1cc(C(=O)NCC2(O)CCN(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000267097707 526265526 /nfs/dbraw/zinc/26/55/26/526265526.db2.gz NUUWKXQNRNLQCC-UHFFFAOYSA-N 0 3 322.365 0.672 20 5 DCBDHN Cc1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)o1 ZINC001022063424 658819558 /nfs/dbraw/zinc/81/95/58/658819558.db2.gz BJCNPFWTXBLHOF-LSCVPOLPSA-N 0 3 308.338 0.693 20 5 DCBDHN CC(COC(=O)Cc1c(Br)cnn1C)[N+](=O)[O-] ZINC000893046664 659704827 /nfs/dbraw/zinc/70/48/27/659704827.db2.gz FDJBVDHKFWODEV-ZCFIWIBFSA-N 0 3 306.116 0.934 20 5 DCBDHN O=[N+]([O-])c1ccnn1CN1CCN(CC2CCOCC2)CC1 ZINC000172407135 664621260 /nfs/dbraw/zinc/62/12/60/664621260.db2.gz LTRFZICDZMYYHV-UHFFFAOYSA-N 0 3 309.370 0.793 20 5 DCBDHN CCc1noc(C)c1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662088 665273717 /nfs/dbraw/zinc/27/37/17/665273717.db2.gz ULNALZXVMCTYOR-BXUZGUMPSA-N 0 3 322.365 0.759 20 5 DCBDHN Cc1nonc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034642366 667089214 /nfs/dbraw/zinc/08/92/14/667089214.db2.gz CBFBACVYFIWFLP-PRULPYPASA-N 0 3 323.353 0.560 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000808169683 668210943 /nfs/dbraw/zinc/21/09/43/668210943.db2.gz DKYJQNRXFCEDNV-VIFPVBQESA-N 0 3 312.282 0.155 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](O)CC2(CCOCC2)C1 ZINC000880579720 669241680 /nfs/dbraw/zinc/24/16/80/669241680.db2.gz UPONNVAJAKXGJA-CYBMUJFWSA-N 0 3 324.381 0.963 20 5 DCBDHN Cc1cc(NC(=O)CSCC(=O)OCC(C)[N+](=O)[O-])no1 ZINC000813103441 670610621 /nfs/dbraw/zinc/61/06/21/670610621.db2.gz ARKPVMHWXMQXMO-ZETCQYMHSA-N 0 3 317.323 0.863 20 5 DCBDHN CNS(=O)(=O)c1csc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813101628 670610959 /nfs/dbraw/zinc/61/09/59/670610959.db2.gz FTUJIDSFVCRGES-ZCFIWIBFSA-N 0 3 308.337 0.478 20 5 DCBDHN [NH3+]C1CC2(C1)CC([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000850587189 670920789 /nfs/dbraw/zinc/92/07/89/670920789.db2.gz ROBDMBGARDHOAL-UHFFFAOYSA-N 0 3 312.351 0.538 20 5 DCBDHN NC(=O)c1cc(NC[C@@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000853242426 671223803 /nfs/dbraw/zinc/22/38/03/671223803.db2.gz SFCMRLLQDDMKMN-NWDGAFQWSA-N 0 3 320.349 0.969 20 5 DCBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CNCCO1 ZINC001578426988 1165011678 /nfs/dbraw/zinc/01/16/78/1165011678.db2.gz KONCGARBPRQGSP-OAHLLOKOSA-N 0 3 322.365 0.769 20 5 DCBDHN C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])[NH+](C)C ZINC001589833062 1166695089 /nfs/dbraw/zinc/69/50/89/1166695089.db2.gz IAKIAJXXZUKNIN-QMMMGPOBSA-N 0 3 306.330 0.922 20 5 DCBDHN C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])[NH+](C)C ZINC001589833062 1166695092 /nfs/dbraw/zinc/69/50/92/1166695092.db2.gz IAKIAJXXZUKNIN-QMMMGPOBSA-N 0 3 306.330 0.922 20 5 DCBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)C[NH+](C)C ZINC001589876969 1166705053 /nfs/dbraw/zinc/70/50/53/1166705053.db2.gz BAQRLGLTDWZPEH-QMMMGPOBSA-N 0 3 320.357 0.967 20 5 DCBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)C[NH+](C)C ZINC001589876969 1166705055 /nfs/dbraw/zinc/70/50/55/1166705055.db2.gz BAQRLGLTDWZPEH-QMMMGPOBSA-N 0 3 320.357 0.967 20 5 DCBDHN CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[NH2+]1 ZINC001590569472 1166946062 /nfs/dbraw/zinc/94/60/62/1166946062.db2.gz SBMMKKISYKKQJP-SECBINFHSA-N 0 3 318.341 0.748 20 5 DCBDHN CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[NH2+]1 ZINC001590569472 1166946068 /nfs/dbraw/zinc/94/60/68/1166946068.db2.gz SBMMKKISYKKQJP-SECBINFHSA-N 0 3 318.341 0.748 20 5 DCBDHN C[NH+](C)C[C@](C)(O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591012641 1167078955 /nfs/dbraw/zinc/07/89/55/1167078955.db2.gz SPFOFWABJKNWCV-CYBMUJFWSA-N 0 3 321.341 0.499 20 5 DCBDHN C[NH+](C)C[C@](C)(O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591012641 1167078962 /nfs/dbraw/zinc/07/89/62/1167078962.db2.gz SPFOFWABJKNWCV-CYBMUJFWSA-N 0 3 321.341 0.499 20 5 DCBDHN O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC001593475956 1167863050 /nfs/dbraw/zinc/86/30/50/1167863050.db2.gz HIIFVDJXNUQKQL-IUCAKERBSA-N 0 3 301.310 0.431 20 5 DCBDHN O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC001593475956 1167863061 /nfs/dbraw/zinc/86/30/61/1167863061.db2.gz HIIFVDJXNUQKQL-IUCAKERBSA-N 0 3 301.310 0.431 20 5 DCBDHN COCC[N@H+](C)CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605095157 1169821363 /nfs/dbraw/zinc/82/13/63/1169821363.db2.gz ZDHUHRRRJIGBTQ-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN COCC[N@@H+](C)CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605095157 1169821372 /nfs/dbraw/zinc/82/13/72/1169821372.db2.gz ZDHUHRRRJIGBTQ-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN O=[N+]([O-])c1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001607078890 1170382909 /nfs/dbraw/zinc/38/29/09/1170382909.db2.gz QWSNEAPRPNVYPX-RKDXNWHRSA-N 0 3 301.310 0.431 20 5 DCBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001637266145 1171761775 /nfs/dbraw/zinc/76/17/75/1171761775.db2.gz OFOARTAKMAVPMX-MNOVXSKESA-N 0 3 305.338 0.881 20 5 DCBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001643803137 1171987083 /nfs/dbraw/zinc/98/70/83/1171987083.db2.gz KWPKSRHZQXPIPY-WCQYABFASA-N 0 3 320.349 0.579 20 5 DCBDHN CN1C(=O)[C@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1=O ZINC001644189553 1171999101 /nfs/dbraw/zinc/99/91/01/1171999101.db2.gz AMTMXJVQLAHEPF-FRRDWIJNSA-N 0 3 319.317 0.175 20 5 DCBDHN C[C@@](CO)(NC[C@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC001659768558 1173935602 /nfs/dbraw/zinc/93/56/02/1173935602.db2.gz HLIDQDGWFQOLTM-GJZGRUSLSA-N 0 3 320.349 0.650 20 5 DCBDHN COc1c(O)ccc(CNC[C@@]2(O)CCO[C@@H]2C)c1[N+](=O)[O-] ZINC001664483320 1174435252 /nfs/dbraw/zinc/43/52/52/1174435252.db2.gz HLXSWIJYTTWXNH-OTYXRUKQSA-N 0 3 312.322 0.939 20 5 DCBDHN COc1c(O)ccc(CNC[C@]2(O)CCO[C@@H]2C)c1[N+](=O)[O-] ZINC001664483322 1174435584 /nfs/dbraw/zinc/43/55/84/1174435584.db2.gz HLXSWIJYTTWXNH-YMTOWFKASA-N 0 3 312.322 0.939 20 5 DCBDHN Cc1[nH]cnc1CC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001690127389 1177176386 /nfs/dbraw/zinc/17/63/86/1177176386.db2.gz PYNUDZWTMHFRKB-UHFFFAOYSA-N 0 3 318.337 0.816 20 5 DCBDHN CN(CCNC(=O)c1nnc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001713470966 1180848795 /nfs/dbraw/zinc/84/87/95/1180848795.db2.gz VLIIIRCHQBAYLL-UHFFFAOYSA-N 0 3 304.310 0.575 20 5 DCBDHN CN(CCNC(=O)c1ncn[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001713470966 1180848804 /nfs/dbraw/zinc/84/88/04/1180848804.db2.gz VLIIIRCHQBAYLL-UHFFFAOYSA-N 0 3 304.310 0.575 20 5 DCBDHN CN(CCNC(=O)c1nc[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001713470966 1180848813 /nfs/dbraw/zinc/84/88/13/1180848813.db2.gz VLIIIRCHQBAYLL-UHFFFAOYSA-N 0 3 304.310 0.575 20 5 DCBDHN O=C(C(F)F)N(CCO)CCNCc1cccc([N+](=O)[O-])c1 ZINC001724661830 1184499106 /nfs/dbraw/zinc/49/91/06/1184499106.db2.gz QOUFZMISNVEKBL-UHFFFAOYSA-N 0 3 317.292 0.770 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cncs1 ZINC001155208435 759639154 /nfs/dbraw/zinc/63/91/54/759639154.db2.gz MQPBPPRFLSXNBU-UHFFFAOYSA-N 0 3 324.366 0.695 20 5 DCBDHN CCN(CC)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001100121297 760377532 /nfs/dbraw/zinc/37/75/32/760377532.db2.gz QVNIYSKGFRUDLT-UHFFFAOYSA-N 0 3 309.370 0.884 20 5 DCBDHN CN(CCNc1c2c(ccc1[N+](=O)[O-])NCC2)CCOCCO ZINC001119344286 766638124 /nfs/dbraw/zinc/63/81/24/766638124.db2.gz JCRLHZQTFLXTCS-UHFFFAOYSA-N 0 3 324.381 0.915 20 5 DCBDHN Cc1[nH]cnc1CC(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093776759 768736005 /nfs/dbraw/zinc/73/60/05/768736005.db2.gz NBRBBOMSTDCQIC-UHFFFAOYSA-N 0 3 304.310 0.792 20 5 DCBDHN NC(=O)CCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001153455633 769817306 /nfs/dbraw/zinc/81/73/06/769817306.db2.gz MLPYDEJHKQLACV-UHFFFAOYSA-N 0 3 308.338 0.456 20 5 DCBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001176902010 770242820 /nfs/dbraw/zinc/24/28/20/770242820.db2.gz FCKFFAYEWFCEKC-GHMZBOCLSA-N 0 3 305.338 0.881 20 5 DCBDHN CN(C)C[C@H]1COCCN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001154974901 770357907 /nfs/dbraw/zinc/35/79/07/770357907.db2.gz ALAQCKAFZOIBBQ-VIFPVBQESA-N 0 3 316.745 0.648 20 5 DCBDHN Cc1cc(Cl)nc([N-][C@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155570243 770547515 /nfs/dbraw/zinc/54/75/15/770547515.db2.gz LJZUHYDQPVQMDB-JVXZTZIISA-N 0 3 311.729 0.942 20 5 DCBDHN CC(C)(C(N)=O)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001160403093 772032418 /nfs/dbraw/zinc/03/24/18/772032418.db2.gz PZLMZPJMWISHEX-UHFFFAOYSA-N 0 3 322.365 0.702 20 5 DCBDHN O=C(NCCC1(CNCc2ccon2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164490717 772667904 /nfs/dbraw/zinc/66/79/04/772667904.db2.gz TVHLNTDKANKDNP-VXGBXAGGSA-N 0 3 308.338 0.716 20 5 DCBDHN CS(=O)(=O)N(c1ncc([N+](=O)[O-])c2ccccc21)C1CNC1 ZINC001166968145 772892630 /nfs/dbraw/zinc/89/26/30/772892630.db2.gz IOACTHVMGXUMSF-UHFFFAOYSA-N 0 3 322.346 0.881 20 5 DCBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccnc(OC)c1 ZINC001266390603 939103537 /nfs/dbraw/zinc/10/35/37/939103537.db2.gz DJWUFJXSYQWQGG-CHWSQXEVSA-N 0 3 322.365 0.694 20 5 DCBDHN COC(=O)[C@@H]1CNCCN1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246857722 945507612 /nfs/dbraw/zinc/50/76/12/945507612.db2.gz VOUSJDWVSDYQCP-RISCZKNCSA-N 0 3 307.350 0.973 20 5 DCBDHN COC(=O)[C@@H]1CNCCN1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246857720 945508488 /nfs/dbraw/zinc/50/84/88/945508488.db2.gz VOUSJDWVSDYQCP-FZMZJTMJSA-N 0 3 307.350 0.973 20 5 DCBDHN CC(=O)NCC(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001320956427 946081702 /nfs/dbraw/zinc/08/17/02/946081702.db2.gz KWQJBROWDUOICP-IHWYPQMZSA-N 0 3 320.349 0.493 20 5 DCBDHN N[C@H](CC(F)F)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326038317 948029789 /nfs/dbraw/zinc/02/97/89/948029789.db2.gz OFRBLSKJXDXDDC-SECBINFHSA-N 0 3 317.296 0.937 20 5 DCBDHN CCn1nnc(C)c1CN(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001265845131 950024905 /nfs/dbraw/zinc/02/49/05/950024905.db2.gz DIZCUXHAUCVOBS-VXGBXAGGSA-N 0 3 324.385 0.210 20 5 DCBDHN Nc1cc(N2CCN(C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001337885615 952926188 /nfs/dbraw/zinc/92/61/88/952926188.db2.gz TXSDCDRSXJPBPH-UHFFFAOYSA-N 0 3 307.354 0.873 20 5 DCBDHN O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341368422 953225990 /nfs/dbraw/zinc/22/59/90/953225990.db2.gz MWWJQEAVDUDADO-FPMFFAJLSA-N 0 3 317.345 0.945 20 5 DCBDHN CCN1CCN([C@H](C)CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001341458020 953231873 /nfs/dbraw/zinc/23/18/73/953231873.db2.gz ZRDLBOBUJNAJOS-LLVKDONJSA-N 0 3 324.385 0.084 20 5 DCBDHN COC(=O)[C@]1(O)CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001308034498 960163254 /nfs/dbraw/zinc/16/32/54/960163254.db2.gz REFMTTBBAMIIHF-HNNXBMFYSA-N 0 3 324.333 0.974 20 5 DCBDHN COC(=O)c1ccnc(N(C)CCN(C)CCO)c1[N+](=O)[O-] ZINC001559236792 1012410273 /nfs/dbraw/zinc/41/02/73/1012410273.db2.gz SKUPZDFSBLPWHX-UHFFFAOYSA-N 0 3 312.326 0.137 20 5 DCBDHN CN(C)[C@@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCSC1 ZINC000267115590 282229519 /nfs/dbraw/zinc/22/95/19/282229519.db2.gz ONPIHRJKXDKXJJ-GFCCVEGCSA-N 0 3 313.383 0.345 20 5 DCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420067707 240014475 /nfs/dbraw/zinc/01/44/75/240014475.db2.gz SVSWDKMEEFDUFF-GFCCVEGCSA-N 0 3 320.349 0.407 20 5 DCBDHN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC000493813486 241161055 /nfs/dbraw/zinc/16/10/55/241161055.db2.gz CSVOELRGGKNHQB-KMOQFTEPSA-N 0 3 309.297 0.852 20 5 DCBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CNCCC2(F)F)n1 ZINC000567612214 291364368 /nfs/dbraw/zinc/36/43/68/291364368.db2.gz DGGGFWXEYUMOMT-QMMMGPOBSA-N 0 3 303.269 0.538 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2c3ccccc3C[C@H]2O)c1 ZINC000567874326 291386933 /nfs/dbraw/zinc/38/69/33/291386933.db2.gz LSPAHRISZDBLQM-CFVMTHIKSA-N 0 3 318.333 0.400 20 5 DCBDHN CN1CCN(CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000288454526 220153171 /nfs/dbraw/zinc/15/31/71/220153171.db2.gz GAAOJIVPNOGYCW-UHFFFAOYSA-N 0 3 321.381 0.544 20 5 DCBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000346691008 254083652 /nfs/dbraw/zinc/08/36/52/254083652.db2.gz VJEBNONXMMGZNV-ZYHUDNBSSA-N 0 3 309.322 0.640 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1COC[C@H]1O ZINC000285628923 131188255 /nfs/dbraw/zinc/18/82/55/131188255.db2.gz RCZJJTHHKAQHAO-ZIAGYGMSSA-N 0 3 323.349 0.923 20 5 DCBDHN C[C@H]1CCNC(=O)[C@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193641380 395775781 /nfs/dbraw/zinc/77/57/81/395775781.db2.gz JZNSLEVIHQEJAG-JKOKRWQUSA-N 0 3 323.349 0.449 20 5 DCBDHN CS[C@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270795305 395809745 /nfs/dbraw/zinc/80/97/45/395809745.db2.gz VSXOTQLWWSXOHO-BDAKNGLRSA-N 0 3 313.383 0.744 20 5 DCBDHN CS[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270795305 395809749 /nfs/dbraw/zinc/80/97/49/395809749.db2.gz VSXOTQLWWSXOHO-BDAKNGLRSA-N 0 3 313.383 0.744 20 5 DCBDHN CCN(C)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000049320566 395831349 /nfs/dbraw/zinc/83/13/49/395831349.db2.gz XXLVYUPMAPDJEE-UHFFFAOYSA-N 0 3 302.356 0.606 20 5 DCBDHN CN1CCN(C2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000217659577 395839850 /nfs/dbraw/zinc/83/98/50/395839850.db2.gz XPIUGRKJMLMJOU-UHFFFAOYSA-N 0 3 306.370 0.601 20 5 DCBDHN CCCc1n[nH]c(C(=O)NCCN(C)CCOC)c1[N+](=O)[O-] ZINC000109621805 395798199 /nfs/dbraw/zinc/79/81/99/395798199.db2.gz WMGXVEISFIHHJK-UHFFFAOYSA-N 0 3 313.358 0.578 20 5 DCBDHN CN1CC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000272551481 395899397 /nfs/dbraw/zinc/89/93/97/395899397.db2.gz CYYYEMGSFHZHHX-YPMHNXCESA-N 0 3 320.349 0.309 20 5 DCBDHN C[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)N(C)C ZINC000277158898 396052831 /nfs/dbraw/zinc/05/28/31/396052831.db2.gz SKDINNKDRICCLD-MRVPVSSYSA-N 0 3 302.356 0.604 20 5 DCBDHN COc1cc(C(=O)NC[C@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000152915854 396017741 /nfs/dbraw/zinc/01/77/41/396017741.db2.gz GLAQNTKLRZKXST-AWEZNQCLSA-N 0 3 311.338 0.646 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CO)c2ccccc2)c1 ZINC000170846596 396098881 /nfs/dbraw/zinc/09/88/81/396098881.db2.gz IRSUXFVOQQVUNL-UONOGXRCSA-N 0 3 306.322 0.475 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000080959276 396289974 /nfs/dbraw/zinc/28/99/74/396289974.db2.gz GIWUYIDPHPDPNI-AAEUAGOBSA-N 0 3 320.353 0.755 20 5 DCBDHN CN1CCC(O)(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000268243401 396359493 /nfs/dbraw/zinc/35/94/93/396359493.db2.gz PIPGAQQWWUGHDY-UHFFFAOYSA-N 0 3 311.313 0.920 20 5 DCBDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192918212 396439916 /nfs/dbraw/zinc/43/99/16/396439916.db2.gz MWTMIUVIMRPKJP-PHIMTYICSA-N 0 3 311.363 0.777 20 5 DCBDHN CN(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000291900056 396518293 /nfs/dbraw/zinc/51/82/93/396518293.db2.gz MXJPIOODMFUBIA-RYUDHWBXSA-N 0 3 312.301 0.873 20 5 DCBDHN O=C1CCCC12CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000595806986 396665264 /nfs/dbraw/zinc/66/52/64/396665264.db2.gz NYGQURFQHUALRG-ZDUSSCGKSA-N 0 3 322.365 0.987 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc2c1CCNC2 ZINC000595955129 396694715 /nfs/dbraw/zinc/69/47/15/396694715.db2.gz DZAIIRWBRKAIHX-UHFFFAOYSA-N 0 3 315.333 0.867 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CCN2C1=O ZINC000596014317 396708208 /nfs/dbraw/zinc/70/82/08/396708208.db2.gz NNWFXYIEKCQEKU-VXNVDRBHSA-N 0 3 311.729 0.391 20 5 DCBDHN C[C@H](c1cnn(C)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305858566 396755397 /nfs/dbraw/zinc/75/53/97/396755397.db2.gz WUFKOHLZLSNBEM-ZWNOBZJWSA-N 0 3 308.342 0.579 20 5 DCBDHN Nc1ccc(N2CCN(C3CCOCC3)CC2)nc1[N+](=O)[O-] ZINC000590582964 396803526 /nfs/dbraw/zinc/80/35/26/396803526.db2.gz AFHUPMJLTOMXCW-UHFFFAOYSA-N 0 3 307.354 0.873 20 5 DCBDHN C[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000590608611 396815503 /nfs/dbraw/zinc/81/55/03/396815503.db2.gz UTGOPZJPFIEJOZ-BPNCWPANSA-N 0 3 322.365 0.972 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000597652975 397044656 /nfs/dbraw/zinc/04/46/56/397044656.db2.gz GVRHZPLORYOPJE-VIFPVBQESA-N 0 3 306.322 0.728 20 5 DCBDHN CC(C)(C)N1CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000597920394 397131012 /nfs/dbraw/zinc/13/10/12/397131012.db2.gz AZIZDAZPJRMCMQ-NSHDSACASA-N 0 3 322.365 0.746 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCCNCC1 ZINC000592287187 397142904 /nfs/dbraw/zinc/14/29/04/397142904.db2.gz NKVBJZQKPZEOOF-UHFFFAOYSA-N 0 3 307.306 0.802 20 5 DCBDHN COc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000386878170 397291205 /nfs/dbraw/zinc/29/12/05/397291205.db2.gz DZJJIJSVMYHWMM-ZDUSSCGKSA-N 0 3 306.322 0.951 20 5 DCBDHN COCCN(C)CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598593873 397253337 /nfs/dbraw/zinc/25/33/37/397253337.db2.gz XWAKINBGSPNUGR-UHFFFAOYSA-N 0 3 312.326 0.767 20 5 DCBDHN O=C(NC[C@H]1CNCCO1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000577713170 397353039 /nfs/dbraw/zinc/35/30/39/397353039.db2.gz LCCZNUJLDXLRSD-GFCCVEGCSA-N 0 3 320.349 0.651 20 5 DCBDHN CC(C)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000488023610 397483691 /nfs/dbraw/zinc/48/36/91/397483691.db2.gz IWAMTZHVTMPGRM-ZIAGYGMSSA-N 0 3 311.386 0.424 20 5 DCBDHN Cc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000579006567 397515062 /nfs/dbraw/zinc/51/50/62/397515062.db2.gz ONWCCJFJMCWEBC-ZYHUDNBSSA-N 0 3 318.333 0.287 20 5 DCBDHN O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@]1(F)CCNC1 ZINC000169193215 158373472 /nfs/dbraw/zinc/37/34/72/158373472.db2.gz VXORHFVHXOVXPA-YGRLFVJLSA-N 0 3 323.328 0.704 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000367822136 159357511 /nfs/dbraw/zinc/35/75/11/159357511.db2.gz KFWWXKFFVWAOKA-ZFWWWQNUSA-N 0 3 324.381 0.901 20 5 DCBDHN NC(=O)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000026711410 415166986 /nfs/dbraw/zinc/16/69/86/415166986.db2.gz WWQPDCCKMYDNBW-CYBMUJFWSA-N 0 3 323.349 0.532 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000268235263 415182557 /nfs/dbraw/zinc/18/25/57/415182557.db2.gz NWOWYESAALVYBY-SKDRFNHKSA-N 0 3 307.354 0.699 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2(O)CCN(C)C2)n1 ZINC000342833074 415309381 /nfs/dbraw/zinc/30/93/81/415309381.db2.gz WUVCYFYOLGEPJL-ZDUSSCGKSA-N 0 3 310.310 0.255 20 5 DCBDHN Cc1c(NC(=O)CCN(C)[C@@H]2COC[C@H]2O)cccc1[N+](=O)[O-] ZINC000352820532 415338563 /nfs/dbraw/zinc/33/85/63/415338563.db2.gz YXZAFDBSSAJBGB-ZIAGYGMSSA-N 0 3 323.349 0.923 20 5 DCBDHN C[C@H](CN(C)C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000343799305 415734161 /nfs/dbraw/zinc/73/41/61/415734161.db2.gz WWFONFYBHUPKEZ-MRVPVSSYSA-N 0 3 302.356 0.604 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425555090 287317170 /nfs/dbraw/zinc/31/71/70/287317170.db2.gz XHDOPVMCSHOZQB-JTQLQIEISA-N 0 3 304.310 0.364 20 5 DCBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000344478124 415925511 /nfs/dbraw/zinc/92/55/11/415925511.db2.gz WRJVFUMICIGINU-NSHDSACASA-N 0 3 309.370 0.679 20 5 DCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000356727044 415977987 /nfs/dbraw/zinc/97/79/87/415977987.db2.gz BXPJPMWQVSZKMX-WDEREUQCSA-N 0 3 307.354 0.885 20 5 DCBDHN CN1CCN(CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298427735 416006732 /nfs/dbraw/zinc/00/67/32/416006732.db2.gz MUSIKFUIYXYKEN-UHFFFAOYSA-N 0 3 322.369 0.138 20 5 DCBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345753002 416143868 /nfs/dbraw/zinc/14/38/68/416143868.db2.gz HMOQJAQXSMXZJN-UHFFFAOYSA-N 0 3 309.370 0.301 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000358056899 416180322 /nfs/dbraw/zinc/18/03/22/416180322.db2.gz BSVLSJANHBQQNB-CQSZACIVSA-N 0 3 309.322 0.156 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000358056894 416181931 /nfs/dbraw/zinc/18/19/31/416181931.db2.gz BSVLSJANHBQQNB-AWEZNQCLSA-N 0 3 309.322 0.156 20 5 DCBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178523690 416164501 /nfs/dbraw/zinc/16/45/01/416164501.db2.gz UQDSPPHFWITJOM-YPMHNXCESA-N 0 3 307.354 0.734 20 5 DCBDHN CCN(C)CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000183596565 416247638 /nfs/dbraw/zinc/24/76/38/416247638.db2.gz BFZGONBIHVYQMY-UHFFFAOYSA-N 0 3 322.365 0.701 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358421060 416235865 /nfs/dbraw/zinc/23/58/65/416235865.db2.gz CQVGFAILECXHNF-AWEZNQCLSA-N 0 3 324.337 0.792 20 5 DCBDHN COCCN(C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000263702707 416338752 /nfs/dbraw/zinc/33/87/52/416338752.db2.gz BZOGROPMXQMBAU-UHFFFAOYSA-N 0 3 311.338 0.668 20 5 DCBDHN O=[N+]([O-])c1ccc(CCN(CCO)CCN2CCOCC2)cc1 ZINC000361947618 416531233 /nfs/dbraw/zinc/53/12/33/416531233.db2.gz UMDROTGALAEMIK-UHFFFAOYSA-N 0 3 323.393 0.764 20 5 DCBDHN CN(CCN1CCCCC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594371293 416560384 /nfs/dbraw/zinc/56/03/84/416560384.db2.gz AFYLNPAADNBNSN-UHFFFAOYSA-N 0 3 307.354 1.130 20 5 DCBDHN CCOc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423992069 416601049 /nfs/dbraw/zinc/60/10/49/416601049.db2.gz NSNKTNYCXNLTOG-NSHDSACASA-N 0 3 309.322 0.712 20 5 DCBDHN CN1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)C1 ZINC000362946645 416572050 /nfs/dbraw/zinc/57/20/50/416572050.db2.gz YOQGBNGBBDYBEH-NSHDSACASA-N 0 3 321.385 0.183 20 5 DCBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545312814 416672122 /nfs/dbraw/zinc/67/21/22/416672122.db2.gz GGONFFSIPDPKLZ-GFCCVEGCSA-N 0 3 323.397 0.689 20 5 DCBDHN NC(=O)[C@@H]1CCCN(CCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000443514814 416765169 /nfs/dbraw/zinc/76/51/69/416765169.db2.gz ZCJMSJZHWDSNOQ-SECBINFHSA-N 0 3 313.383 1.051 20 5 DCBDHN C[C@H]1CCCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000564704901 416894855 /nfs/dbraw/zinc/89/48/55/416894855.db2.gz FQGJZRCWZKGQBO-JTQLQIEISA-N 0 3 307.354 1.034 20 5 DCBDHN C[C@@H]1CCCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000564704903 416895030 /nfs/dbraw/zinc/89/50/30/416895030.db2.gz FQGJZRCWZKGQBO-SNVBAGLBSA-N 0 3 307.354 1.034 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)C[NH3+] ZINC000447248109 416974417 /nfs/dbraw/zinc/97/44/17/416974417.db2.gz KDJUODRVFWVWQH-MRVPVSSYSA-N 0 3 303.340 0.477 20 5 DCBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCNCC1 ZINC000430635977 287349053 /nfs/dbraw/zinc/34/90/53/287349053.db2.gz HZUMHNHRMWZWHG-UHFFFAOYSA-N 0 3 322.365 0.337 20 5 DCBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1COC[C@H]1O ZINC000453359446 417520634 /nfs/dbraw/zinc/52/06/34/417520634.db2.gz SRLDCFASOWBTCR-OASPWFOLSA-N 0 3 309.322 0.661 20 5 DCBDHN Nc1c(C(=O)NC[C@]2(O)CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000576021092 417571117 /nfs/dbraw/zinc/57/11/17/417571117.db2.gz ODLKKQVHFLHPBU-HNNXBMFYSA-N 0 3 320.349 0.364 20 5 DCBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)COc2ccccc2)c1 ZINC000576749132 417632164 /nfs/dbraw/zinc/63/21/64/417632164.db2.gz NDKMPGQTFAJHIV-CYBMUJFWSA-N 0 3 306.322 0.821 20 5 DCBDHN COc1cccc(C(=O)NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000444341786 287422252 /nfs/dbraw/zinc/42/22/52/287422252.db2.gz KZWOGDVDMLPBMZ-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCN(C)C ZINC000298177443 228396798 /nfs/dbraw/zinc/39/67/98/228396798.db2.gz RHNJKWUTBSQLPK-UHFFFAOYSA-N 0 3 308.338 0.828 20 5 DCBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CNCCO1 ZINC000417950527 262265822 /nfs/dbraw/zinc/26/58/22/262265822.db2.gz WDEUHNSVGSOUKB-ZDUSSCGKSA-N 0 3 308.338 0.425 20 5 DCBDHN C[C@H](NC(=O)C(=O)N1CCC[C@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000419121481 262310401 /nfs/dbraw/zinc/31/04/01/262310401.db2.gz ASLBYRQBOWFWIX-QWRGUYRKSA-N 0 3 320.349 0.722 20 5 DCBDHN C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)CN)c1ccccc1[N+](=O)[O-] ZINC000419133664 262312642 /nfs/dbraw/zinc/31/26/42/262312642.db2.gz GGLNLVWJCXEZGV-VHSXEESVSA-N 0 3 308.338 0.578 20 5 DCBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCNCC1 ZINC000428464568 262586454 /nfs/dbraw/zinc/58/64/54/262586454.db2.gz XTIBJTNOHVLQFR-LLVKDONJSA-N 0 3 324.385 0.649 20 5 DCBDHN C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1 ZINC000420233485 271366655 /nfs/dbraw/zinc/36/66/55/271366655.db2.gz FTKVZHXWQXIWKU-ZETCQYMHSA-N 0 3 305.381 0.858 20 5 DCBDHN CN1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@H](CN)C1 ZINC000493689105 272204792 /nfs/dbraw/zinc/20/47/92/272204792.db2.gz QQEZWARWMQNXRG-MASHWEEQSA-N 0 3 322.340 0.848 20 5 DCBDHN COC(=O)NCCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000496758032 272341504 /nfs/dbraw/zinc/34/15/04/272341504.db2.gz LBRVVLWSHNVVTD-UHFFFAOYSA-N 0 3 310.310 0.869 20 5 DCBDHN CN(C)C/C=C/C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297068253 282018005 /nfs/dbraw/zinc/01/80/05/282018005.db2.gz WPRZANYMJZDJKL-GQCTYLIASA-N 0 3 319.365 0.756 20 5 DCBDHN C[C@H](C[S@@](C)=O)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580184382 332991003 /nfs/dbraw/zinc/99/10/03/332991003.db2.gz XUSZTSKQSOPIPQ-SXUOVDMSSA-N 0 3 316.379 0.691 20 5 DCBDHN CN1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000387858638 333181088 /nfs/dbraw/zinc/18/10/88/333181088.db2.gz GTWRYOIZPRXMKZ-GXMNPTEKSA-N 0 3 304.350 0.709 20 5 DCBDHN CCN(Cc1cnn(C)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266542046 521440522 /nfs/dbraw/zinc/44/05/22/521440522.db2.gz HACVUMLWZHLONA-ZDUSSCGKSA-N 0 3 308.342 0.408 20 5 DCBDHN [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737763411 598896212 /nfs/dbraw/zinc/89/62/12/598896212.db2.gz CVRIKBHONUKDEK-UHFFFAOYSA-N 0 3 319.325 0.065 20 5 DCBDHN [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737763411 598896213 /nfs/dbraw/zinc/89/62/13/598896213.db2.gz CVRIKBHONUKDEK-UHFFFAOYSA-N 0 3 319.325 0.065 20 5 DCBDHN O=[N+]([O-])c1cnc(NCC[NH+]2CCCC2)c(-c2nnn[n-]2)c1 ZINC000823652269 599317934 /nfs/dbraw/zinc/31/79/34/599317934.db2.gz XVUQBAMQJXDHGV-UHFFFAOYSA-N 0 3 304.314 0.678 20 5 DCBDHN O=[N+]([O-])c1cnc(NCC[NH+]2CCCC2)c(-c2nn[n-]n2)c1 ZINC000823652269 599317937 /nfs/dbraw/zinc/31/79/37/599317937.db2.gz XVUQBAMQJXDHGV-UHFFFAOYSA-N 0 3 304.314 0.678 20 5 DCBDHN CN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000170358815 664577783 /nfs/dbraw/zinc/57/77/83/664577783.db2.gz FESSMZYSAPYTNG-UHFFFAOYSA-N 0 3 314.729 0.865 20 5 DCBDHN CN(CC(=O)N1CCN2CC[C@H]1C2)c1ccccc1[N+](=O)[O-] ZINC000597709109 664760432 /nfs/dbraw/zinc/76/04/32/664760432.db2.gz UUYPPXQUJLYJJE-LBPRGKRZSA-N 0 3 304.350 0.948 20 5 DCBDHN CC(=O)OC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153564881 664886287 /nfs/dbraw/zinc/88/62/87/664886287.db2.gz BVEYRLYEJONWQT-LBPRGKRZSA-N 0 3 312.326 0.180 20 5 DCBDHN CN(CCO)CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000884824693 667612285 /nfs/dbraw/zinc/61/22/85/667612285.db2.gz IHDYIIGLQLURGB-UHFFFAOYSA-N 0 3 319.159 0.510 20 5 DCBDHN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)C1CNC1 ZINC000923629508 667808232 /nfs/dbraw/zinc/80/82/32/667808232.db2.gz AMBODANKBIQPTF-UHFFFAOYSA-N 0 3 311.363 0.861 20 5 DCBDHN CN(C)CCN(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748408286 667927121 /nfs/dbraw/zinc/92/71/21/667927121.db2.gz UGXARHBOWYVRPP-UHFFFAOYSA-N 0 3 305.338 0.965 20 5 DCBDHN Cn1c(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000889781727 667996474 /nfs/dbraw/zinc/99/64/74/667996474.db2.gz OIKVIZNNUJXIOK-VXGBXAGGSA-N 0 3 322.365 0.605 20 5 DCBDHN Cn1c(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000889781726 667996597 /nfs/dbraw/zinc/99/65/97/667996597.db2.gz OIKVIZNNUJXIOK-RYUDHWBXSA-N 0 3 322.365 0.605 20 5 DCBDHN CN(C)C[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000876552866 668463927 /nfs/dbraw/zinc/46/39/27/668463927.db2.gz GTASEEMHLRBYLY-LBPRGKRZSA-N 0 3 321.381 0.132 20 5 DCBDHN COC(=O)C[C@@]1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000767032059 668557008 /nfs/dbraw/zinc/55/70/08/668557008.db2.gz PQSFLWJAOKLQDW-HIFRSBDPSA-N 0 3 324.333 0.940 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000932551719 669382795 /nfs/dbraw/zinc/38/27/95/669382795.db2.gz LIWKFBFYQMQMOZ-GFCCVEGCSA-N 0 3 307.354 0.795 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000934394522 669600650 /nfs/dbraw/zinc/60/06/50/669600650.db2.gz HCDHCEMERSPTDB-MWLCHTKSSA-N 0 3 307.354 0.841 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000935313923 669706622 /nfs/dbraw/zinc/70/66/22/669706622.db2.gz AVRVZUCBCVSDMO-SNVBAGLBSA-N 0 3 307.354 0.866 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801950632 670146933 /nfs/dbraw/zinc/14/69/33/670146933.db2.gz YAGWFASKTIZANE-CYBMUJFWSA-N 0 3 312.301 0.113 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000854467873 670572955 /nfs/dbraw/zinc/57/29/55/670572955.db2.gz ZTJRXBVEJAYWPF-VIFPVBQESA-N 0 3 315.301 0.151 20 5 DCBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCC(N)=O ZINC000813105422 670611866 /nfs/dbraw/zinc/61/18/66/670611866.db2.gz ZFKOCRZUVUXCBD-MRVPVSSYSA-N 0 3 312.278 0.381 20 5 DCBDHN CN1CCN(C)[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819048739 671089319 /nfs/dbraw/zinc/08/93/19/671089319.db2.gz ASZYIANIKOJNMZ-CABCVRRESA-N 0 3 308.382 0.464 20 5 DCBDHN COCCN1CCC[C@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000861034190 671261689 /nfs/dbraw/zinc/26/16/89/671261689.db2.gz KFJRGJQKRFTOFT-NSHDSACASA-N 0 3 312.326 0.445 20 5 DCBDHN CCN1CCN([C@@H](C)CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823301626 671384564 /nfs/dbraw/zinc/38/45/64/671384564.db2.gz MPSPGNJAKYPBMN-ZDUSSCGKSA-N 0 3 314.430 0.964 20 5 DCBDHN CN1C[C@@H]2CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000833336564 671746983 /nfs/dbraw/zinc/74/69/83/671746983.db2.gz FOOUOSQLBLFPCR-YUTCNCBUSA-N 0 3 305.334 0.791 20 5 DCBDHN CC(C)(CCC(=O)NC[C@@H]1CCCCN1CCO)[N+](=O)[O-] ZINC000833551419 671747914 /nfs/dbraw/zinc/74/79/14/671747914.db2.gz BNNZRBIAOGKJOA-LBPRGKRZSA-N 0 3 301.387 0.785 20 5 DCBDHN Nc1nccc(N2CCC[C@H](OC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000842347635 672006702 /nfs/dbraw/zinc/00/67/02/672006702.db2.gz RGMFIPGWRRVIPE-IVZWLZJFSA-N 0 3 307.310 0.236 20 5 DCBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000843497515 672105740 /nfs/dbraw/zinc/10/57/40/672105740.db2.gz GZONCGHBZFBEME-SNVBAGLBSA-N 0 3 324.293 0.530 20 5 DCBDHN O=[N+]([O-])c1cc(CO)c(N2CCN3C[C@H](O)C[C@H]3C2)cc1F ZINC000865917690 685380738 /nfs/dbraw/zinc/38/07/38/685380738.db2.gz NGXNTWWOWVUMAQ-WDEREUQCSA-N 0 3 311.313 0.481 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1N1CCC(N2CCN(C)CC2)CC1 ZINC000895027809 685438617 /nfs/dbraw/zinc/43/86/17/685438617.db2.gz KLWWLUFGZFQZFL-UHFFFAOYSA-N 0 3 308.386 0.545 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566330762 1159971859 /nfs/dbraw/zinc/97/18/59/1159971859.db2.gz OFUWHKYETCKTRH-KWQFWETISA-N 0 3 305.338 0.785 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001593721840 1167960993 /nfs/dbraw/zinc/96/09/93/1167960993.db2.gz UECWTZNKIFPFLO-CMPLNLGQSA-N 0 3 308.338 0.214 20 5 DCBDHN CC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001604487993 1169603287 /nfs/dbraw/zinc/60/32/87/1169603287.db2.gz MJAGLACJNKXIKL-WCBMZHEXSA-N 0 3 318.341 0.747 20 5 DCBDHN CC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001604487993 1169603294 /nfs/dbraw/zinc/60/32/94/1169603294.db2.gz MJAGLACJNKXIKL-WCBMZHEXSA-N 0 3 318.341 0.747 20 5 DCBDHN C[NH+](C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604681196 1169655334 /nfs/dbraw/zinc/65/53/34/1169655334.db2.gz VFQRLHXKGQRPEW-VIFPVBQESA-N 0 3 307.314 0.109 20 5 DCBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001651886030 1173758066 /nfs/dbraw/zinc/75/80/66/1173758066.db2.gz COEZMOZDRBABHN-WDEREUQCSA-N 0 3 305.338 0.881 20 5 DCBDHN Cn1cc(CN[C@@H](C2CC2)C2(CO)CCOCC2)c([N+](=O)[O-])n1 ZINC001654876585 1173812777 /nfs/dbraw/zinc/81/27/77/1173812777.db2.gz LQDQVJITEDAIQO-ZDUSSCGKSA-N 0 3 324.381 0.986 20 5 DCBDHN CC(=O)NCC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001731471481 1185348005 /nfs/dbraw/zinc/34/80/05/1185348005.db2.gz WBLQIMXAWBDMBO-BETUJISGSA-N 0 3 320.349 0.468 20 5 DCBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CC(N)=O ZINC001732768768 1185957126 /nfs/dbraw/zinc/95/71/26/1185957126.db2.gz LTTQJDCINOHLFA-UHFFFAOYSA-N 0 3 308.338 0.408 20 5 DCBDHN CC(=O)N1CC(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)C1 ZINC001126287466 748377470 /nfs/dbraw/zinc/37/74/70/748377470.db2.gz JWGRINDWTOXCBN-UHFFFAOYSA-N 0 3 320.349 0.279 20 5 DCBDHN CCOC(=O)[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)[C@@H](C)O ZINC001168039578 749153243 /nfs/dbraw/zinc/15/32/43/749153243.db2.gz RQBOXVYLOQAHTF-OQPBUACISA-N 0 3 309.322 0.922 20 5 DCBDHN Cn1ncc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)n1 ZINC001168320089 749914790 /nfs/dbraw/zinc/91/47/90/749914790.db2.gz OSWWGXQEPXJUDH-UHFFFAOYSA-N 0 3 324.366 0.695 20 5 DCBDHN O=[N+]([O-])c1c(NCc2ncccc2[O-])ncnc1C1C[NH2+]C1 ZINC001169732419 760824913 /nfs/dbraw/zinc/82/49/13/760824913.db2.gz WQINZEDXDGUBFL-UHFFFAOYSA-N 0 3 302.294 0.784 20 5 DCBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cnsn1 ZINC001124155206 768153716 /nfs/dbraw/zinc/15/37/16/768153716.db2.gz VXGXOBRDMLYPRS-UHFFFAOYSA-N 0 3 307.335 0.966 20 5 DCBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001170776250 765698289 /nfs/dbraw/zinc/69/82/89/765698289.db2.gz MJZBZWSUOWEAAQ-NSHDSACASA-N 0 3 322.365 0.752 20 5 DCBDHN Cn1ncc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001135283068 765866624 /nfs/dbraw/zinc/86/66/24/765866624.db2.gz IEBPUFZVYVWGOW-UHFFFAOYSA-N 0 3 304.310 0.243 20 5 DCBDHN CCN(CC)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093646920 768668837 /nfs/dbraw/zinc/66/88/37/768668837.db2.gz RLPMXGSTPSGBSI-UHFFFAOYSA-N 0 3 313.333 0.999 20 5 DCBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001153780301 769931419 /nfs/dbraw/zinc/93/14/19/769931419.db2.gz GJTBUVWAMMIRSH-NWDGAFQWSA-N 0 3 306.322 0.271 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1=CCOCC1 ZINC001156961099 770981660 /nfs/dbraw/zinc/98/16/60/770981660.db2.gz YZZJEHBLSIHURB-UHFFFAOYSA-N 0 3 323.353 0.271 20 5 DCBDHN CN1CCN(CCCNc2cc([N+](=O)[O-])c3nncn3c2)CC1 ZINC001161710007 772270828 /nfs/dbraw/zinc/27/08/28/772270828.db2.gz NCCVGXFIVATSKH-UHFFFAOYSA-N 0 3 319.369 0.687 20 5 DCBDHN CCc1noc(C)c1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001269411801 940702671 /nfs/dbraw/zinc/70/26/71/940702671.db2.gz UEMSTVLTBASKDH-ZWNOBZJWSA-N 0 3 322.365 0.949 20 5 DCBDHN CN(C)CCN(C)C(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325080274 947639732 /nfs/dbraw/zinc/63/97/32/947639732.db2.gz ZOQUFQXLPXSDJS-UHFFFAOYSA-N 0 3 320.349 0.457 20 5 DCBDHN C[C@@H](c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001338056529 952955694 /nfs/dbraw/zinc/95/56/94/952955694.db2.gz KWZDAKKXVQFKPH-RYUDHWBXSA-N 0 3 324.385 0.311 20 5 DCBDHN CN1CCNC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001340001594 953137317 /nfs/dbraw/zinc/13/73/17/953137317.db2.gz FWSPGVSJSFWRSO-LBPRGKRZSA-N 0 3 312.757 0.768 20 5 DCBDHN CCN1CCN([C@@H](C)CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001341458021 953231605 /nfs/dbraw/zinc/23/16/05/953231605.db2.gz ZRDLBOBUJNAJOS-NSHDSACASA-N 0 3 324.385 0.084 20 5 DCBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1COC2(CNC2)C1 ZINC001342216372 953276778 /nfs/dbraw/zinc/27/67/78/953276778.db2.gz VPSITYLLPKWHMD-LBPRGKRZSA-N 0 3 323.324 0.914 20 5 DCBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1c([N+](=O)[O-])cnn1C ZINC001342863169 953311236 /nfs/dbraw/zinc/31/12/36/953311236.db2.gz GRGUWVKIBROVDH-LLVKDONJSA-N 0 3 324.385 0.683 20 5 DCBDHN COc1c(O)ccc(CNCC[C@]2(O)CCOC2)c1[N+](=O)[O-] ZINC001308847201 960183207 /nfs/dbraw/zinc/18/32/07/960183207.db2.gz DOTHTJYDMCEOCU-AWEZNQCLSA-N 0 3 312.322 0.940 20 5 DCBDHN COc1c([O-])ccc(C[NH2+]CC[C@]2(O)CCOC2)c1[N+](=O)[O-] ZINC001308847201 960183214 /nfs/dbraw/zinc/18/32/14/960183214.db2.gz DOTHTJYDMCEOCU-AWEZNQCLSA-N 0 3 312.322 0.940 20 5 DCBDHN Cc1cnc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001316823100 960393672 /nfs/dbraw/zinc/39/36/72/960393672.db2.gz BZGKIUYWWXNANW-CHWSQXEVSA-N 0 3 307.354 0.388 20 5 DCBDHN C[C@@H]1C[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC001545709851 1005557493 /nfs/dbraw/zinc/55/74/93/1005557493.db2.gz MNKCMHGGRSJIEQ-SCZZXKLOSA-N 0 3 305.338 0.927 20 5 DCBDHN C[C@H]1[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCN1C ZINC001558424811 1012353948 /nfs/dbraw/zinc/35/39/48/1012353948.db2.gz BKZBFOLSGYKCGX-JQWIXIFHSA-N 0 3 321.333 0.995 20 5 DCBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001558548850 1012364180 /nfs/dbraw/zinc/36/41/80/1012364180.db2.gz IMFRIYVDBUUIFG-VIFPVBQESA-N 0 3 306.322 0.380 20 5 DCBDHN CNC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090548735 185302374 /nfs/dbraw/zinc/30/23/74/185302374.db2.gz GJBLDCNMWKEOCZ-LLVKDONJSA-N 0 3 308.338 0.215 20 5 DCBDHN Cc1nn(C)c(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1[N+](=O)[O-] ZINC000174675656 198368301 /nfs/dbraw/zinc/36/83/01/198368301.db2.gz LCHDZWNTHDWVQJ-WDEREUQCSA-N 0 3 307.354 0.945 20 5 DCBDHN CCS(=O)(=O)N1CC(CNCc2ccccc2[N+](=O)[O-])C1 ZINC000190286195 237431918 /nfs/dbraw/zinc/43/19/18/237431918.db2.gz IBXXKHNYIATFNT-UHFFFAOYSA-N 0 3 313.379 0.966 20 5 DCBDHN O=C(C[C@@H]1CNCCO1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423731143 240245374 /nfs/dbraw/zinc/24/53/74/240245374.db2.gz XLAACEMGLKGHNU-SECBINFHSA-N 0 3 305.294 0.788 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571940083 291540640 /nfs/dbraw/zinc/54/06/40/291540640.db2.gz RLDMUEFEXFICDS-DGCLKSJQSA-N 0 3 318.333 0.287 20 5 DCBDHN Cc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000572900636 291597993 /nfs/dbraw/zinc/59/79/93/291597993.db2.gz MCCLJHFQGHGNMG-RYUDHWBXSA-N 0 3 318.333 0.287 20 5 DCBDHN CNc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000574517161 291699519 /nfs/dbraw/zinc/69/95/19/291699519.db2.gz VNEKPVZXTMWLEZ-NSHDSACASA-N 0 3 307.354 0.351 20 5 DCBDHN COC(=O)CC[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000288593742 220269673 /nfs/dbraw/zinc/26/96/73/220269673.db2.gz JWYIZBOQUPHISP-JTQLQIEISA-N 0 3 307.306 0.764 20 5 DCBDHN NC(=O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000194361466 395794949 /nfs/dbraw/zinc/79/49/49/395794949.db2.gz DBSNKWVLDPVUKH-LBPRGKRZSA-N 0 3 323.349 0.532 20 5 DCBDHN NC(=O)[C@@H](Cc1ccccc1)NCCn1cc([N+](=O)[O-])cn1 ZINC000273497598 395925360 /nfs/dbraw/zinc/92/53/60/395925360.db2.gz XUOYDNQEJJPQQI-CYBMUJFWSA-N 0 3 303.322 0.478 20 5 DCBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N(C)C1CC1 ZINC000057703654 395947298 /nfs/dbraw/zinc/94/72/98/395947298.db2.gz HXIUHABLESCWNB-SNVBAGLBSA-N 0 3 308.338 0.355 20 5 DCBDHN CCN(C)CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000066373520 396006266 /nfs/dbraw/zinc/00/62/66/396006266.db2.gz UJGSDMGGZXPRTC-UHFFFAOYSA-N 0 3 316.383 0.867 20 5 DCBDHN CNC(=O)CCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000170782823 396097979 /nfs/dbraw/zinc/09/79/79/396097979.db2.gz JKGHMEKKBXLHGL-GFCCVEGCSA-N 0 3 311.338 0.402 20 5 DCBDHN C[C@@H](CN)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000262546125 396153699 /nfs/dbraw/zinc/15/36/99/396153699.db2.gz VEGVACCXCCPWFB-ZETCQYMHSA-N 0 3 301.324 0.075 20 5 DCBDHN CC[C@](C)(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182198732 396248084 /nfs/dbraw/zinc/24/80/84/396248084.db2.gz XAVZUNDVDONNGK-YGRLFVJLSA-N 0 3 311.338 0.578 20 5 DCBDHN COCCN(CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264276275 396266103 /nfs/dbraw/zinc/26/61/03/396266103.db2.gz NRZGKBKMJLZEJH-ZDUSSCGKSA-N 0 3 314.338 0.275 20 5 DCBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184379151 396293318 /nfs/dbraw/zinc/29/33/18/396293318.db2.gz WXBDDCIDSOSAND-UHFFFAOYSA-N 0 3 310.354 0.827 20 5 DCBDHN Cc1c(CN2C(C)C(=O)N(C)S2(=O)=O)cccc1[N+](=O)[O-] ZINC000282999953 396297355 /nfs/dbraw/zinc/29/73/55/396297355.db2.gz KTDHRQIMRQLRPY-SECBINFHSA-N 0 3 313.335 0.811 20 5 DCBDHN C[C@H](NC(=O)N1CCN(C)C[C@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000580171756 396491479 /nfs/dbraw/zinc/49/14/79/396491479.db2.gz VMVAHZOCEDOEHA-SMDDNHRTSA-N 0 3 321.381 0.940 20 5 DCBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC23CC[NH2+]CC3)nc1 ZINC000595112066 396550907 /nfs/dbraw/zinc/55/09/07/396550907.db2.gz RIYQPAFYIPCYES-JTQLQIEISA-N 0 3 312.351 0.410 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000588867016 396696600 /nfs/dbraw/zinc/69/66/00/396696600.db2.gz UYDSQIPZYGNMKN-ZDUSSCGKSA-N 0 3 324.381 0.826 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000588863788 396697234 /nfs/dbraw/zinc/69/72/34/396697234.db2.gz OZJBYOQARXWQCD-JTQLQIEISA-N 0 3 306.322 0.728 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000588864669 396697273 /nfs/dbraw/zinc/69/72/73/396697273.db2.gz MYOGAYXUHAPNLN-GFCCVEGCSA-N 0 3 322.365 0.821 20 5 DCBDHN CC[C@H](CN1CCCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000610881623 396775499 /nfs/dbraw/zinc/77/54/99/396775499.db2.gz MDXSVUXIOYFYIL-GFCCVEGCSA-N 0 3 324.385 0.965 20 5 DCBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NCCN1CC[C@@H](O)C1 ZINC000600530488 396885178 /nfs/dbraw/zinc/88/51/78/396885178.db2.gz HDMPUWQWHDJPBD-GFCCVEGCSA-N 0 3 322.365 0.580 20 5 DCBDHN C[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN1 ZINC000601981791 397280090 /nfs/dbraw/zinc/28/00/90/397280090.db2.gz YLYTUAICCGARGY-JTQLQIEISA-N 0 3 308.342 0.020 20 5 DCBDHN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000574668715 397289346 /nfs/dbraw/zinc/28/93/46/397289346.db2.gz AYCVPKRZMHALCR-NSHDSACASA-N 0 3 322.365 0.320 20 5 DCBDHN COC(=O)c1ccnc(NC[C@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000598614634 397259009 /nfs/dbraw/zinc/25/90/09/397259009.db2.gz MJBKWXHSJCOXAL-CYBMUJFWSA-N 0 3 310.310 0.255 20 5 DCBDHN Cc1ccnc(N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000599107475 397339411 /nfs/dbraw/zinc/33/94/11/397339411.db2.gz LIUYVYXVSCBEMQ-UHFFFAOYSA-N 0 3 305.382 0.982 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000602828577 397496138 /nfs/dbraw/zinc/49/61/38/397496138.db2.gz HIBBBYLZSDDKJJ-OCCSQVGLSA-N 0 3 323.397 0.895 20 5 DCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(CC2CC2)C1 ZINC000609383575 397773527 /nfs/dbraw/zinc/77/35/27/397773527.db2.gz VKTOACGGZIBQGV-GFCCVEGCSA-N 0 3 307.354 0.782 20 5 DCBDHN CN1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C1 ZINC000609665105 397788604 /nfs/dbraw/zinc/78/86/04/397788604.db2.gz YCAZPNQFIAKEPL-LBPRGKRZSA-N 0 3 321.381 0.775 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]C[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000070447477 158047832 /nfs/dbraw/zinc/04/78/32/158047832.db2.gz RSUAZCOBQMNGTJ-SNVBAGLBSA-N 0 3 317.367 0.865 20 5 DCBDHN CN(CCCN1CCN(C)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000330512347 159184597 /nfs/dbraw/zinc/18/45/97/159184597.db2.gz CGJPOMBKGPJZBS-UHFFFAOYSA-N 0 3 310.358 0.027 20 5 DCBDHN NC(=O)C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000367308140 159330346 /nfs/dbraw/zinc/33/03/46/159330346.db2.gz NIGKXEAYXUPCPF-WCQYABFASA-N 0 3 323.349 0.532 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCN([C@H]3CCC[C@H]3O)CC2)n1 ZINC000368404213 159391836 /nfs/dbraw/zinc/39/18/36/159391836.db2.gz KIHDZTBJACZHEP-QWHCGFSZSA-N 0 3 309.370 0.322 20 5 DCBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)[C@H](C)CN)cc1[N+](=O)[O-] ZINC000419241326 287276594 /nfs/dbraw/zinc/27/65/94/287276594.db2.gz BVEGJRAHABKNOR-GHMZBOCLSA-N 0 3 322.365 0.886 20 5 DCBDHN CC(C(=O)NCCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000048943021 415300734 /nfs/dbraw/zinc/30/07/34/415300734.db2.gz GMROKXRVUIAJLX-SECBINFHSA-N 0 3 300.336 0.687 20 5 DCBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1COC[C@H]1O ZINC000352816216 415333339 /nfs/dbraw/zinc/33/33/39/415333339.db2.gz NIGFHOYABAIRKR-QWHCGFSZSA-N 0 3 309.322 0.615 20 5 DCBDHN O=[N+]([O-])c1ccn(C2CCN(CCN3CCOCC3)CC2)n1 ZINC000332351860 415359234 /nfs/dbraw/zinc/35/92/34/415359234.db2.gz YNFLOXVQDFVOBU-UHFFFAOYSA-N 0 3 309.370 0.760 20 5 DCBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000121173786 415797085 /nfs/dbraw/zinc/79/70/85/415797085.db2.gz HQSWWDKWCNGQOH-YPMHNXCESA-N 0 3 322.365 0.555 20 5 DCBDHN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN(C2CC2)C1 ZINC000295423978 415891729 /nfs/dbraw/zinc/89/17/29/415891729.db2.gz UDZKGHBGBCELBI-LLVKDONJSA-N 0 3 307.354 0.734 20 5 DCBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000153388802 415981215 /nfs/dbraw/zinc/98/12/15/415981215.db2.gz DSEUXLQLWCUYEY-ZDUSSCGKSA-N 0 3 314.317 0.359 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2CN2CCOCC2)c1 ZINC000174878005 416089421 /nfs/dbraw/zinc/08/94/21/416089421.db2.gz OFKARHOTDRJHHN-ZDUSSCGKSA-N 0 3 309.370 0.588 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000358039547 416175387 /nfs/dbraw/zinc/17/53/87/416175387.db2.gz CLFCRJXIZQEPQZ-CYBMUJFWSA-N 0 3 312.301 0.113 20 5 DCBDHN CCN1CCC(N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000330636779 416219583 /nfs/dbraw/zinc/21/95/83/416219583.db2.gz VHPAPQOQCLBLQS-UHFFFAOYSA-N 0 3 322.365 0.699 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000331467853 416317185 /nfs/dbraw/zinc/31/71/85/416317185.db2.gz HTOFUTBTIDQAJV-QPUJVOFHSA-N 0 3 305.338 0.785 20 5 DCBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CNCCO1 ZINC000423993743 416602951 /nfs/dbraw/zinc/60/29/51/416602951.db2.gz RCNNDCQZFVTYOJ-NSHDSACASA-N 0 3 311.363 0.792 20 5 DCBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000516948451 416758974 /nfs/dbraw/zinc/75/89/74/416758974.db2.gz COBNWIAZQYDCQM-BPNCWPANSA-N 0 3 322.365 0.529 20 5 DCBDHN COc1cccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000516938248 416759343 /nfs/dbraw/zinc/75/93/43/416759343.db2.gz MLTDMHXSSFCPLL-NXEZZACHSA-N 0 3 306.322 0.352 20 5 DCBDHN O=C(Nc1nc(N2CCNCC2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000518767239 416874401 /nfs/dbraw/zinc/87/44/01/416874401.db2.gz BCORZNLZGBPVFC-UHFFFAOYSA-N 0 3 317.309 0.375 20 5 DCBDHN N[C@H]1C[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069239 416991709 /nfs/dbraw/zinc/99/17/09/416991709.db2.gz CZCKOANKISPCGO-OCCSQVGLSA-N 0 3 320.349 0.217 20 5 DCBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000522186621 417054659 /nfs/dbraw/zinc/05/46/59/417054659.db2.gz MGRIATOKLKMXIK-UHFFFAOYSA-N 0 3 309.370 0.301 20 5 DCBDHN CN1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000569104274 417214743 /nfs/dbraw/zinc/21/47/43/417214743.db2.gz BYDKGTBLGMRPGU-GFCCVEGCSA-N 0 3 322.365 0.465 20 5 DCBDHN COc1cc(CNC[C@@H]2CNCCO2)c([N+](=O)[O-])cc1OC ZINC000415094523 417329194 /nfs/dbraw/zinc/32/91/94/417329194.db2.gz KDIJSJDLEJXIMG-NSHDSACASA-N 0 3 311.338 0.690 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000570833151 417397236 /nfs/dbraw/zinc/39/72/36/417397236.db2.gz KCPTZCHGYKBQPV-NSHDSACASA-N 0 3 322.365 0.699 20 5 DCBDHN O=C(COC1CNC1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000578885684 417687545 /nfs/dbraw/zinc/68/75/45/417687545.db2.gz HHTRMAJJNBKBAA-UHFFFAOYSA-N 0 3 317.305 0.912 20 5 DCBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356164104 261398103 /nfs/dbraw/zinc/39/81/03/261398103.db2.gz ZFVKQPBSMLHTKI-UHFFFAOYSA-N 0 3 324.385 0.086 20 5 DCBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CNCCO1 ZINC000417950526 262265977 /nfs/dbraw/zinc/26/59/77/262265977.db2.gz WDEUHNSVGSOUKB-CYBMUJFWSA-N 0 3 308.338 0.425 20 5 DCBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CNCCO1 ZINC000418770982 262288381 /nfs/dbraw/zinc/28/83/81/262288381.db2.gz QYIRPSPBCUDQIT-CQSZACIVSA-N 0 3 322.365 0.767 20 5 DCBDHN C[C@H](NC(=O)C(=O)N(C)[C@@H](C)CN)c1cccc([N+](=O)[O-])c1 ZINC000418780492 262289353 /nfs/dbraw/zinc/28/93/53/262289353.db2.gz KQJADPJTIWFSNJ-UWVGGRQHSA-N 0 3 308.338 0.578 20 5 DCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356237716 271037750 /nfs/dbraw/zinc/03/77/50/271037750.db2.gz VCDBMFRGCXQZAP-CQSZACIVSA-N 0 3 307.354 0.886 20 5 DCBDHN CN(C)CCOCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000471626732 272027865 /nfs/dbraw/zinc/02/78/65/272027865.db2.gz KNYHDWXCICDTIA-UHFFFAOYSA-N 0 3 317.367 0.451 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000492602029 272136710 /nfs/dbraw/zinc/13/67/10/272136710.db2.gz HAGKCAMBGIEBME-LFAOLKIESA-N 0 3 305.334 0.791 20 5 DCBDHN Cn1cc(C(C)(C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000546704312 288027511 /nfs/dbraw/zinc/02/75/11/288027511.db2.gz AAXHXGWKTBYJDE-LBPRGKRZSA-N 0 3 308.342 0.411 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H](O)C(F)F)c1 ZINC000563887329 288712054 /nfs/dbraw/zinc/71/20/54/288712054.db2.gz GFLZHQDFIADULS-ONGXEEELSA-N 0 3 306.265 0.550 20 5 DCBDHN N[C@@H]1C[C@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000565239887 288837192 /nfs/dbraw/zinc/83/71/92/288837192.db2.gz NMWBLBPILRZDFH-NWDGAFQWSA-N 0 3 324.768 0.992 20 5 DCBDHN N[C@H]1C[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565548307 288861634 /nfs/dbraw/zinc/86/16/34/288861634.db2.gz GOECLQQRMGLDNW-ONGXEEELSA-N 0 3 322.296 0.118 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381454540 337133175 /nfs/dbraw/zinc/13/31/75/337133175.db2.gz HQDIBTRPUVHFGG-YUMQZZPRSA-N 0 3 303.340 0.617 20 5 DCBDHN CCn1cc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000583020352 337225720 /nfs/dbraw/zinc/22/57/20/337225720.db2.gz WBMPGPJKXOIJIL-MFKMUULPSA-N 0 3 308.342 0.719 20 5 DCBDHN Cc1csc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001569400009 1161046806 /nfs/dbraw/zinc/04/68/06/1161046806.db2.gz DNSMWLKDZDPULU-NXEZZACHSA-N 0 3 310.379 0.855 20 5 DCBDHN C[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000249127882 524290335 /nfs/dbraw/zinc/29/03/35/524290335.db2.gz XPLYIQFYZIYRBJ-CMPLNLGQSA-N 0 3 300.384 0.980 20 5 DCBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000190899813 524974831 /nfs/dbraw/zinc/97/48/31/524974831.db2.gz TWYBHKCLTHIXSF-DYEKYZERSA-N 0 3 310.350 0.895 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN(CC2CC2)CC1 ZINC000159763294 527487321 /nfs/dbraw/zinc/48/73/21/527487321.db2.gz VVCYQVCBAOFRKA-UHFFFAOYSA-N 0 3 306.366 0.784 20 5 DCBDHN CC(C)[C@H]1CN(C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993136 527853025 /nfs/dbraw/zinc/85/30/25/527853025.db2.gz STZMMYGPGPPWIV-ZIAGYGMSSA-N 0 3 311.386 0.424 20 5 DCBDHN COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736969241 598896582 /nfs/dbraw/zinc/89/65/82/598896582.db2.gz WABIJTYLFVWEMP-GFCCVEGCSA-N 0 3 307.314 0.551 20 5 DCBDHN COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736969241 598896584 /nfs/dbraw/zinc/89/65/84/598896584.db2.gz WABIJTYLFVWEMP-GFCCVEGCSA-N 0 3 307.314 0.551 20 5 DCBDHN CC(COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[N+](=O)[O-] ZINC000813108097 658734612 /nfs/dbraw/zinc/73/46/12/658734612.db2.gz AGDNGPSDELSIOZ-SECBINFHSA-N 0 3 316.335 0.759 20 5 DCBDHN Cn1cncc1CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000669784 665913756 /nfs/dbraw/zinc/91/37/56/665913756.db2.gz MCYDDQBSKQRANU-ZIAGYGMSSA-N 0 3 319.365 0.334 20 5 DCBDHN CN(CCO)CCN(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000912609099 664193974 /nfs/dbraw/zinc/19/39/74/664193974.db2.gz XUQTUZJFJMEBRC-UHFFFAOYSA-N 0 3 310.354 0.389 20 5 DCBDHN CNc1ccc(C(=O)N(C)CCN(C)CCO)cc1[N+](=O)[O-] ZINC000912611674 664195495 /nfs/dbraw/zinc/19/54/95/664195495.db2.gz TVCJHQHRSWZIQB-UHFFFAOYSA-N 0 3 310.354 0.633 20 5 DCBDHN CCc1onc(C)c1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031663289 665274304 /nfs/dbraw/zinc/27/43/04/665274304.db2.gz VZTZMQSRRLAOSM-DGCLKSJQSA-N 0 3 322.365 0.759 20 5 DCBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000923293783 667498596 /nfs/dbraw/zinc/49/85/96/667498596.db2.gz BLFCJLBQAJEUER-NWDGAFQWSA-N 0 3 320.349 0.452 20 5 DCBDHN CO[C@@H]1COCC[C@H]1N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000880433556 669210483 /nfs/dbraw/zinc/21/04/83/669210483.db2.gz OXSCHLPHMARBOS-CHWSQXEVSA-N 0 3 311.338 0.492 20 5 DCBDHN CN1CCN(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000933992875 669558911 /nfs/dbraw/zinc/55/89/11/669558911.db2.gz OUVWPKBVOZQJON-INIZCTEOSA-N 0 3 322.409 0.807 20 5 DCBDHN CNS(=O)(=O)c1csc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813101627 670610977 /nfs/dbraw/zinc/61/09/77/670610977.db2.gz FTUJIDSFVCRGES-LURJTMIESA-N 0 3 308.337 0.478 20 5 DCBDHN CC(COC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N+](=O)[O-] ZINC000813111186 670612142 /nfs/dbraw/zinc/61/21/42/670612142.db2.gz PVIGBTLTVNDGSK-ZRUFSTJUSA-N 0 3 312.322 0.759 20 5 DCBDHN NC(=O)c1cc(NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000853242428 671223808 /nfs/dbraw/zinc/22/38/08/671223808.db2.gz SFCMRLLQDDMKMN-RYUDHWBXSA-N 0 3 320.349 0.969 20 5 DCBDHN C[NH+](C)CCOCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825870344 671474174 /nfs/dbraw/zinc/47/41/74/671474174.db2.gz HXWRGRDBRPITRV-UHFFFAOYSA-N 0 3 321.341 0.765 20 5 DCBDHN Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H]3CSCCN3)n2)n1C ZINC000843221871 672071628 /nfs/dbraw/zinc/07/16/28/672071628.db2.gz MVKOFICREMYQQZ-QMMMGPOBSA-N 0 3 324.366 0.934 20 5 DCBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CNCCO1 ZINC001576251516 1164280072 /nfs/dbraw/zinc/28/00/72/1164280072.db2.gz MFFWIKNTXZPMNE-RNCFNFMXSA-N 0 3 305.338 0.938 20 5 DCBDHN C[N@@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591181314 1167132298 /nfs/dbraw/zinc/13/22/98/1167132298.db2.gz YJZGPAGZVAYUOK-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591181314 1167132304 /nfs/dbraw/zinc/13/23/04/1167132304.db2.gz YJZGPAGZVAYUOK-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591181314 1167132312 /nfs/dbraw/zinc/13/23/12/1167132312.db2.gz YJZGPAGZVAYUOK-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591181314 1167132315 /nfs/dbraw/zinc/13/23/15/1167132315.db2.gz YJZGPAGZVAYUOK-CYBMUJFWSA-N 0 3 319.325 0.253 20 5 DCBDHN C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591190437 1167143318 /nfs/dbraw/zinc/14/33/18/1167143318.db2.gz BDIBSOSWRMLVSM-QMMMGPOBSA-N 0 3 318.341 0.863 20 5 DCBDHN C[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591190437 1167143322 /nfs/dbraw/zinc/14/33/22/1167143322.db2.gz BDIBSOSWRMLVSM-QMMMGPOBSA-N 0 3 318.341 0.863 20 5 DCBDHN C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591190437 1167143324 /nfs/dbraw/zinc/14/33/24/1167143324.db2.gz BDIBSOSWRMLVSM-QMMMGPOBSA-N 0 3 318.341 0.863 20 5 DCBDHN C[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591190437 1167143326 /nfs/dbraw/zinc/14/33/26/1167143326.db2.gz BDIBSOSWRMLVSM-QMMMGPOBSA-N 0 3 318.341 0.863 20 5 DCBDHN CNC(=O)C1(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001644528347 1172009188 /nfs/dbraw/zinc/00/91/88/1172009188.db2.gz DADBXUKGHACMMU-CYBMUJFWSA-N 0 3 323.349 0.513 20 5 DCBDHN NC(=O)c1cc(N2CC(N[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001651457955 1173749139 /nfs/dbraw/zinc/74/91/39/1173749139.db2.gz VNGKUNYGLZWCGL-SECBINFHSA-N 0 3 306.322 0.261 20 5 DCBDHN Cn1cc(CN[C@H](C2CC2)C2(CO)CCOCC2)c([N+](=O)[O-])n1 ZINC001654876584 1173811843 /nfs/dbraw/zinc/81/18/43/1173811843.db2.gz LQDQVJITEDAIQO-CYBMUJFWSA-N 0 3 324.381 0.986 20 5 DCBDHN CCn1ccc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001716292408 1182309297 /nfs/dbraw/zinc/30/92/97/1182309297.db2.gz JRSLADMQZNCKAV-CDJBXZAQSA-N 0 3 307.354 0.330 20 5 DCBDHN CC(C)(C(=O)NC[C@@]1(C)CNCCO1)n1cc([N+](=O)[O-])cn1 ZINC001576508319 1164369743 /nfs/dbraw/zinc/36/97/43/1164369743.db2.gz PYFAZQPEATVTAW-CYBMUJFWSA-N 0 3 311.342 0.021 20 5 DCBDHN O=C(CCc1nnc[nH]1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125419602 747125170 /nfs/dbraw/zinc/12/51/70/747125170.db2.gz MQLDYKPZVBMIBC-UHFFFAOYSA-N 0 3 318.337 0.552 20 5 DCBDHN COc1ccc(C[C@H](C)N2C[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334052 762612127 /nfs/dbraw/zinc/61/21/27/762612127.db2.gz AGYGMRIWDFERSY-WBIUFABUSA-N 0 3 310.350 0.819 20 5 DCBDHN COC(=O)[C@@H]1COCCC12CN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169036177 760554550 /nfs/dbraw/zinc/55/45/50/760554550.db2.gz FQMUZSNDVNRAAQ-UPJWGTAASA-N 0 3 312.366 0.943 20 5 DCBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ncc(O)cn3)CC2)C1 ZINC001169042117 760557141 /nfs/dbraw/zinc/55/71/41/760557141.db2.gz CYJMDWSZOJESSX-NWDGAFQWSA-N 0 3 307.354 0.750 20 5 DCBDHN CC(C)(C(N)=O)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001129923889 763051572 /nfs/dbraw/zinc/05/15/72/763051572.db2.gz BWFKRRQNFANFGN-UHFFFAOYSA-N 0 3 308.338 0.312 20 5 DCBDHN COc1c(O)ccc(CNC[C@@H]2COCCN2C)c1[N+](=O)[O-] ZINC001120059426 766891035 /nfs/dbraw/zinc/89/10/35/766891035.db2.gz NQNWWTVRHXRMKA-LLVKDONJSA-N 0 3 311.338 0.729 20 5 DCBDHN CN(c1nc2ccccc2cc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001156237925 770759283 /nfs/dbraw/zinc/75/92/83/770759283.db2.gz DLILFMLENYWHOK-UHFFFAOYSA-N 0 3 310.335 0.868 20 5 DCBDHN CC(C)Oc1nc(N(C)S(=O)(=O)CCN)ccc1[N+](=O)[O-] ZINC001156238306 770759311 /nfs/dbraw/zinc/75/93/11/770759311.db2.gz ICOFMZCNPCIFAE-UHFFFAOYSA-N 0 3 318.355 0.502 20 5 DCBDHN Cn1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001151084248 771411712 /nfs/dbraw/zinc/41/17/12/771411712.db2.gz LHXJJWCBERBWHA-UHFFFAOYSA-N 0 3 303.322 0.848 20 5 DCBDHN COc1nc(N2C[C@@H]3CCCN(C)[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001157266828 771571194 /nfs/dbraw/zinc/57/11/94/771571194.db2.gz XUWFHFKABGSUJS-VHSXEESVSA-N 0 3 323.353 0.932 20 5 DCBDHN C[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC001185801299 771957993 /nfs/dbraw/zinc/95/79/93/771957993.db2.gz DIMHQYJEYODTAQ-OLZOCXBDSA-N 0 3 322.413 0.791 20 5 DCBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001163426933 772524020 /nfs/dbraw/zinc/52/40/20/772524020.db2.gz INWSNCILGPRORE-LLVKDONJSA-N 0 3 322.365 0.821 20 5 DCBDHN CC(C)(O)C[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001191763499 772815469 /nfs/dbraw/zinc/81/54/69/772815469.db2.gz JZIAVZHXWMMJDJ-WCQYABFASA-N 0 3 324.381 0.998 20 5 DCBDHN CS(=O)(=O)N(c1ccc2c(cccc2[N+](=O)[O-])n1)C1CNC1 ZINC001166967145 772892248 /nfs/dbraw/zinc/89/22/48/772892248.db2.gz AZXIPOVJWXJVPH-UHFFFAOYSA-N 0 3 322.346 0.881 20 5 DCBDHN Nc1ccc2n(C(=O)[C@H]3CNCCN3)c3ccccc3cc-2c1=O ZINC001219256652 774425355 /nfs/dbraw/zinc/42/53/55/774425355.db2.gz VBQOCXCZLMTCQK-CQSZACIVSA-N 0 3 322.368 0.890 20 5 DCBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1[n-]c(=S)nc2cnccc21 ZINC001227882713 776018260 /nfs/dbraw/zinc/01/82/60/776018260.db2.gz ZNNIAZGJQQFNQZ-SECBINFHSA-O 0 3 323.398 0.676 20 5 DCBDHN CC(=O)N(C)CC(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001317571326 945064616 /nfs/dbraw/zinc/06/46/16/945064616.db2.gz TUEMMTMWRUBAEO-UHFFFAOYSA-N 0 3 322.365 0.621 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(CC2CC(F)(F)C2)CC1 ZINC001261281925 947232717 /nfs/dbraw/zinc/23/27/17/947232717.db2.gz PWKLRGPTFSOVPR-GHMZBOCLSA-N 0 3 303.309 0.841 20 5 DCBDHN CN1CCNC[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001263111228 947810791 /nfs/dbraw/zinc/81/07/91/947810791.db2.gz WZAAXJCXUFCTNT-OAHLLOKOSA-N 0 3 318.377 0.989 20 5 DCBDHN CN1CCNC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001339933864 953132432 /nfs/dbraw/zinc/13/24/32/953132432.db2.gz FQQOIIVOXFATCQ-AWEZNQCLSA-N 0 3 304.350 0.383 20 5 DCBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001304077721 960076287 /nfs/dbraw/zinc/07/62/87/960076287.db2.gz BYANXSOWCCVOAL-SNVBAGLBSA-N 0 3 320.349 0.839 20 5 DCBDHN COc1c(O)ccc(CNCC[C@@]2(O)CCOC2)c1[N+](=O)[O-] ZINC001308847202 960184435 /nfs/dbraw/zinc/18/44/35/960184435.db2.gz DOTHTJYDMCEOCU-CQSZACIVSA-N 0 3 312.322 0.940 20 5 DCBDHN COc1c([O-])ccc(C[NH2+]CC[C@@]2(O)CCOC2)c1[N+](=O)[O-] ZINC001308847202 960184440 /nfs/dbraw/zinc/18/44/40/960184440.db2.gz DOTHTJYDMCEOCU-CQSZACIVSA-N 0 3 312.322 0.940 20 5 DCBDHN O=C(NCC1(NCc2ccon2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001495916093 1018866815 /nfs/dbraw/zinc/86/68/15/1018866815.db2.gz DAFPAAUGGHIXDA-VXGBXAGGSA-N 0 3 308.338 0.858 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1CNC1 ZINC000090289909 185289475 /nfs/dbraw/zinc/28/94/75/185289475.db2.gz NCFRGUKLQOXUFY-UHFFFAOYSA-N 0 3 301.324 0.196 20 5 DCBDHN C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000286743420 219141859 /nfs/dbraw/zinc/14/18/59/219141859.db2.gz JEFSIMZIOZOEGQ-SECBINFHSA-N 0 3 311.342 0.235 20 5 DCBDHN C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000286743420 219141861 /nfs/dbraw/zinc/14/18/61/219141861.db2.gz JEFSIMZIOZOEGQ-SECBINFHSA-N 0 3 311.342 0.235 20 5 DCBDHN CNC(=O)CCN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181717742 199343918 /nfs/dbraw/zinc/34/39/18/199343918.db2.gz OVQYIIIDQLOPIP-NSHDSACASA-N 0 3 311.338 0.402 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331022760 232358945 /nfs/dbraw/zinc/35/89/45/232358945.db2.gz ZMWBPZQFBDYPNB-NSHDSACASA-N 0 3 309.370 0.679 20 5 DCBDHN CN1CC[C@@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272634812 210038414 /nfs/dbraw/zinc/03/84/14/210038414.db2.gz XKLOWKJSLCQPST-DGCLKSJQSA-N 0 3 322.369 0.527 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CN(C)C ZINC000153147386 237017091 /nfs/dbraw/zinc/01/70/91/237017091.db2.gz KVJWHMUTLWDNDE-AWEZNQCLSA-N 0 3 311.338 0.646 20 5 DCBDHN CN1CCC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000153800948 291208809 /nfs/dbraw/zinc/20/88/09/291208809.db2.gz QROYIYGMKSTVCX-LLVKDONJSA-N 0 3 320.349 0.991 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CCO)c2ccccc2)c1 ZINC000271813116 209237972 /nfs/dbraw/zinc/23/79/72/209237972.db2.gz UPQCHBFZXDQLSB-HUUCEWRRSA-N 0 3 320.349 0.866 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCn2cncn2)c1 ZINC000568740653 291443299 /nfs/dbraw/zinc/44/32/99/291443299.db2.gz HDPLIOIURMKGAH-GFCCVEGCSA-N 0 3 307.310 0.216 20 5 DCBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000573054477 291607604 /nfs/dbraw/zinc/60/76/04/291607604.db2.gz LEEAPJOYBPOFMD-BPNCWPANSA-N 0 3 322.365 0.529 20 5 DCBDHN COc1ccc(S(=O)(=O)[N-]C(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000063020545 184267285 /nfs/dbraw/zinc/26/72/85/184267285.db2.gz LDJVHUVJDIEJTJ-UHFFFAOYSA-N 0 3 303.340 0.619 20 5 DCBDHN COC(=O)c1cc(C(=O)N2CCCNCC2)cc([N+](=O)[O-])c1 ZINC000347512920 254163529 /nfs/dbraw/zinc/16/35/29/254163529.db2.gz MEKMRIWMZRCBAR-UHFFFAOYSA-N 0 3 307.306 0.817 20 5 DCBDHN CCN(CCO)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000347802009 254192204 /nfs/dbraw/zinc/19/22/04/254192204.db2.gz CPJSKXUWSDEOQM-UHFFFAOYSA-N 0 3 313.329 0.707 20 5 DCBDHN CN1CCC[C@@]2(CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000293926996 131783792 /nfs/dbraw/zinc/78/37/92/131783792.db2.gz IXNUNDMPNXNSDW-CQSZACIVSA-N 0 3 307.354 0.736 20 5 DCBDHN O=C1NC(=O)C2(CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)N1 ZINC000270568832 395784206 /nfs/dbraw/zinc/78/42/06/395784206.db2.gz ZURLSAJJEIWTIG-UHFFFAOYSA-N 0 3 322.296 0.908 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108298501 395788106 /nfs/dbraw/zinc/78/81/06/395788106.db2.gz XPGYNBVZNYROIC-LBPRGKRZSA-N 0 3 307.354 0.700 20 5 DCBDHN COc1ccc(S(=O)(=O)NCCNC2CC2)c([N+](=O)[O-])c1 ZINC000054266971 395896735 /nfs/dbraw/zinc/89/67/35/395896735.db2.gz ULJUEXLBBCCSEV-UHFFFAOYSA-N 0 3 315.351 0.634 20 5 DCBDHN C[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237397072 395911928 /nfs/dbraw/zinc/91/19/28/395911928.db2.gz YCRRIYDEMJRQJY-QMMMGPOBSA-N 0 3 312.351 0.288 20 5 DCBDHN O=C(CNC1CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238159330 395922640 /nfs/dbraw/zinc/92/26/40/395922640.db2.gz XPIBHLOUURRWBR-NSHDSACASA-N 0 3 305.338 0.755 20 5 DCBDHN CC(C)N1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000274552930 395958052 /nfs/dbraw/zinc/95/80/52/395958052.db2.gz XZKWYHBQJKZOJA-GFCCVEGCSA-N 0 3 322.365 0.746 20 5 DCBDHN COc1cc(C(=O)NC[C@@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000152915771 396017852 /nfs/dbraw/zinc/01/78/52/396017852.db2.gz GLAQNTKLRZKXST-CQSZACIVSA-N 0 3 311.338 0.646 20 5 DCBDHN CC[C@](C)(NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182198693 396247983 /nfs/dbraw/zinc/24/79/83/396247983.db2.gz XAVZUNDVDONNGK-HZMBPMFUSA-N 0 3 311.338 0.578 20 5 DCBDHN CN1CCC(O)(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000080891386 396288197 /nfs/dbraw/zinc/28/81/97/396288197.db2.gz ROIAFUOFCGSSBB-UHFFFAOYSA-N 0 3 323.349 0.547 20 5 DCBDHN O=C([C@H]1C[C@H](F)CN1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000188777268 396385584 /nfs/dbraw/zinc/38/55/84/396385584.db2.gz BDCKSGLDGJEABG-JBLDHEPKSA-N 0 3 323.328 0.703 20 5 DCBDHN CNS(=O)(=O)c1ccc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000286315305 396387105 /nfs/dbraw/zinc/38/71/05/396387105.db2.gz GWOLVXNYVDJHFS-VIFPVBQESA-N 0 3 316.383 0.865 20 5 DCBDHN CCNC(=O)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000293154201 396589964 /nfs/dbraw/zinc/58/99/64/396589964.db2.gz DZPOHBPXGAVLHX-ZDUSSCGKSA-N 0 3 310.354 0.507 20 5 DCBDHN CN1CC[C@]2(CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000293935076 396642308 /nfs/dbraw/zinc/64/23/08/396642308.db2.gz QTCYDALSWRXKCA-AWEZNQCLSA-N 0 3 307.354 0.736 20 5 DCBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588862533 396695581 /nfs/dbraw/zinc/69/55/81/396695581.db2.gz DGFCYAILJCNCAJ-LSDHHAIUSA-N 0 3 319.361 0.805 20 5 DCBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CN1CCCC1 ZINC000588869326 396696830 /nfs/dbraw/zinc/69/68/30/396696830.db2.gz MQKCHGDMXMAZPU-GFCCVEGCSA-N 0 3 323.349 0.547 20 5 DCBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CN(C)C ZINC000590548417 396793827 /nfs/dbraw/zinc/79/38/27/396793827.db2.gz CYQVRIQCQPHKAJ-SNVBAGLBSA-N 0 3 311.338 0.646 20 5 DCBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NCCN1CC[C@H](O)C1 ZINC000600806817 396946347 /nfs/dbraw/zinc/94/63/47/396946347.db2.gz HDMPUWQWHDJPBD-LBPRGKRZSA-N 0 3 322.365 0.580 20 5 DCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377513301 397090758 /nfs/dbraw/zinc/09/07/58/397090758.db2.gz SQIKYGKILWRKIV-AAEUAGOBSA-N 0 3 323.353 0.161 20 5 DCBDHN C[C@H](C(=O)NC[C@@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572461760 397060372 /nfs/dbraw/zinc/06/03/72/397060372.db2.gz ODOLPABVMALZSY-NHYWBVRUSA-N 0 3 307.350 0.881 20 5 DCBDHN Cc1nn(C)c(C(=O)NCC23CCCN2CCC3)c1[N+](=O)[O-] ZINC000619573882 397150631 /nfs/dbraw/zinc/15/06/31/397150631.db2.gz AKCPIDHBFDFESV-UHFFFAOYSA-N 0 3 307.354 0.995 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000592338217 397155516 /nfs/dbraw/zinc/15/55/16/397155516.db2.gz SMGCTJFEXUXYHD-LBPRGKRZSA-N 0 3 315.333 0.945 20 5 DCBDHN Cc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000572900634 397110947 /nfs/dbraw/zinc/11/09/47/397110947.db2.gz MCCLJHFQGHGNMG-NEPJUHHUSA-N 0 3 318.333 0.287 20 5 DCBDHN CN1CCC[C@H](N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C1 ZINC000619787784 397192843 /nfs/dbraw/zinc/19/28/43/397192843.db2.gz UGUCFLQBOAIUOM-NSHDSACASA-N 0 3 322.369 0.170 20 5 DCBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000578192216 397402888 /nfs/dbraw/zinc/40/28/88/397402888.db2.gz HLVKSHLLBZVDOY-JTQLQIEISA-N 0 3 314.367 0.786 20 5 DCBDHN CCN1CCN([C@@H]2CCN(Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602464914 397409614 /nfs/dbraw/zinc/40/96/14/397409614.db2.gz OCBUMVRYNLSQLM-CQSZACIVSA-N 0 3 322.413 0.540 20 5 DCBDHN CN1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C1 ZINC000609665104 397788370 /nfs/dbraw/zinc/78/83/70/397788370.db2.gz YCAZPNQFIAKEPL-GFCCVEGCSA-N 0 3 321.381 0.775 20 5 DCBDHN NC(=O)c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000321654740 159010571 /nfs/dbraw/zinc/01/05/71/159010571.db2.gz QDNRZFJAOSIGFM-VXGBXAGGSA-N 0 3 320.349 0.969 20 5 DCBDHN NC(=O)c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000321654739 159010693 /nfs/dbraw/zinc/01/06/93/159010693.db2.gz QDNRZFJAOSIGFM-RYUDHWBXSA-N 0 3 320.349 0.969 20 5 DCBDHN C[C@H]1C[C@H](N2CCOCC2)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000367583845 159345092 /nfs/dbraw/zinc/34/50/92/159345092.db2.gz GDRHZZNLBASSKP-STQMWFEESA-N 0 3 309.370 0.586 20 5 DCBDHN COCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000355542906 287183821 /nfs/dbraw/zinc/18/38/21/287183821.db2.gz GGRXWGPQNKDTIR-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1 ZINC000052783377 415317346 /nfs/dbraw/zinc/31/73/46/415317346.db2.gz AQULDHMUHQUMOG-MRVPVSSYSA-N 0 3 300.340 0.040 20 5 DCBDHN CCN(C)CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066959320 415367696 /nfs/dbraw/zinc/36/76/96/415367696.db2.gz HBVKHPARVBITMW-LLVKDONJSA-N 0 3 322.365 0.781 20 5 DCBDHN NC(=O)CC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090525188 415531718 /nfs/dbraw/zinc/53/17/18/415531718.db2.gz DQBZSCIHHYDLIP-GFCCVEGCSA-N 0 3 322.365 0.734 20 5 DCBDHN CC(C)N(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118122924 415733724 /nfs/dbraw/zinc/73/37/24/415733724.db2.gz UFZQLNGNSCRGFK-UHFFFAOYSA-N 0 3 308.338 0.990 20 5 DCBDHN CC1CCN(C[C@H](O)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000354057609 415738372 /nfs/dbraw/zinc/73/83/72/415738372.db2.gz XEKNISOWHOVJPM-SNVBAGLBSA-N 0 3 311.342 0.141 20 5 DCBDHN CN(C)CCN(Cc1ccco1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000121191606 415795756 /nfs/dbraw/zinc/79/57/56/415795756.db2.gz MWKXMKUTAORMFZ-UHFFFAOYSA-N 0 3 321.337 0.975 20 5 DCBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000356727043 415978293 /nfs/dbraw/zinc/97/82/93/415978293.db2.gz BXPJPMWQVSZKMX-QWRGUYRKSA-N 0 3 307.354 0.885 20 5 DCBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CCCC2)C1 ZINC000161591104 416014077 /nfs/dbraw/zinc/01/40/77/416014077.db2.gz VIUVYQZEOYGIAO-GFCCVEGCSA-N 0 3 322.369 0.671 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000298610745 416016690 /nfs/dbraw/zinc/01/66/90/416016690.db2.gz VEBLBFHYEIDIBM-SECBINFHSA-N 0 3 324.337 0.608 20 5 DCBDHN CN(C)[C@]1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCSC1 ZINC000347869850 416225517 /nfs/dbraw/zinc/22/55/17/416225517.db2.gz SBJYHVYVRQXFMV-ZDUSSCGKSA-N 0 3 322.394 1.487 20 5 DCBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1N(C)C ZINC000360650147 416401272 /nfs/dbraw/zinc/40/12/72/416401272.db2.gz WYFZIDQHDHLRGF-UWVGGRQHSA-N 0 3 313.383 0.446 20 5 DCBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CNCCO1 ZINC000423993741 416603081 /nfs/dbraw/zinc/60/30/81/416603081.db2.gz RCNNDCQZFVTYOJ-LLVKDONJSA-N 0 3 311.363 0.792 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1CCCO ZINC000519745618 416932955 /nfs/dbraw/zinc/93/29/55/416932955.db2.gz RHIKPBFEPCRBIV-NSHDSACASA-N 0 3 310.354 0.510 20 5 DCBDHN CNc1nccc(C(=O)NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000572187372 417456733 /nfs/dbraw/zinc/45/67/33/417456733.db2.gz PAKBGLHDGYPMNI-UHFFFAOYSA-N 0 3 319.365 1.388 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCSC[C@@H]2C2CC2)c1 ZINC000576467314 417612220 /nfs/dbraw/zinc/61/22/20/417612220.db2.gz WQAXXCSQZORCSC-QWHCGFSZSA-N 0 3 312.395 0.980 20 5 DCBDHN COc1ccc(NC(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358488754 261673323 /nfs/dbraw/zinc/67/33/23/261673323.db2.gz XJCWJAHTCRUMFD-CQSZACIVSA-N 0 3 324.337 0.792 20 5 DCBDHN C[C@@H](O)CN(CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411742577 262175820 /nfs/dbraw/zinc/17/58/20/262175820.db2.gz DXGNTFNJFNTTPI-LLVKDONJSA-N 0 3 311.338 0.599 20 5 DCBDHN NCCNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000419830187 271331037 /nfs/dbraw/zinc/33/10/37/271331037.db2.gz FRSZPPMKGWQEAS-UHFFFAOYSA-N 0 3 306.322 0.161 20 5 DCBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273931192 277075939 /nfs/dbraw/zinc/07/59/39/277075939.db2.gz KQTOZJXJLDJRAR-LBPRGKRZSA-N 0 3 320.353 0.128 20 5 DCBDHN C[C@@H](CO)N1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000343206614 278290180 /nfs/dbraw/zinc/29/01/80/278290180.db2.gz OEMZBYYOPYDWLG-NSHDSACASA-N 0 3 322.365 0.587 20 5 DCBDHN CCN1CCN(CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548410767 288140754 /nfs/dbraw/zinc/14/07/54/288140754.db2.gz VHGPJSTWFKEMCI-UHFFFAOYSA-N 0 3 310.358 0.075 20 5 DCBDHN COc1cc(C(=O)N2CCN(C)C[C@H]2CN)cc([N+](=O)[O-])c1C ZINC000582785032 337161311 /nfs/dbraw/zinc/16/13/11/337161311.db2.gz ZUMSJILNGWGLGJ-GFCCVEGCSA-N 0 3 322.365 0.627 20 5 DCBDHN NC[C@H]1CCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000577999500 341966533 /nfs/dbraw/zinc/96/65/33/341966533.db2.gz NKGYCDFHVPYANT-GFCCVEGCSA-N 0 3 306.322 0.161 20 5 DCBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000157389942 525577600 /nfs/dbraw/zinc/57/76/00/525577600.db2.gz ZWOQDWYGNBFTFY-SNVBAGLBSA-N 0 3 315.351 0.170 20 5 DCBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000820778067 606803979 /nfs/dbraw/zinc/80/39/79/606803979.db2.gz UZKAZMJMXDZCBR-KWQFWETISA-N 0 3 318.341 0.556 20 5 DCBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1[NH+](C)C ZINC000820778067 606803981 /nfs/dbraw/zinc/80/39/81/606803981.db2.gz UZKAZMJMXDZCBR-KWQFWETISA-N 0 3 318.341 0.556 20 5 DCBDHN CC(COC(=O)CCNS(=O)(=O)c1ccccc1)[N+](=O)[O-] ZINC000813104429 658715152 /nfs/dbraw/zinc/71/51/52/658715152.db2.gz CNMRFZKCWACRLW-SNVBAGLBSA-N 0 3 316.335 0.563 20 5 DCBDHN CC(COC(=O)c1cccc(NS(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813106218 658722799 /nfs/dbraw/zinc/72/27/99/658722799.db2.gz AVMRELMDJPZNLN-MRVPVSSYSA-N 0 3 302.308 0.880 20 5 DCBDHN CN(CCO)CCN(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000894590375 661985248 /nfs/dbraw/zinc/98/52/48/661985248.db2.gz GAHFORYEQJFTKO-UHFFFAOYSA-N 0 3 311.367 0.960 20 5 DCBDHN O=C(CNC(=O)c1ccc([N+](=O)[O-])o1)NCCN1CCCCC1 ZINC000915648585 664934674 /nfs/dbraw/zinc/93/46/74/664934674.db2.gz BGJGFXDISVOIDX-UHFFFAOYSA-N 0 3 324.337 0.520 20 5 DCBDHN O=C(CN[C@@H](CO)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000771803321 668752203 /nfs/dbraw/zinc/75/22/03/668752203.db2.gz BOPMUXPUANDVPP-ZDUSSCGKSA-N 0 3 305.334 0.844 20 5 DCBDHN COC(=O)[C@H]1[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794970437 669869558 /nfs/dbraw/zinc/86/95/58/669869558.db2.gz YVTIHOFWORIUGC-RFQIPJPRSA-N 0 3 306.318 0.979 20 5 DCBDHN Nc1nccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000847406548 670549171 /nfs/dbraw/zinc/54/91/71/670549171.db2.gz DBBZXTZVXQRVLL-UWVGGRQHSA-N 0 3 321.337 0.165 20 5 DCBDHN CC(COC(=O)CC1CCN(S(C)(=O)=O)CC1)[N+](=O)[O-] ZINC000847713821 670593923 /nfs/dbraw/zinc/59/39/23/670593923.db2.gz CNTNIWJFPCHKLK-VIFPVBQESA-N 0 3 308.356 0.257 20 5 DCBDHN CC(COC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)[N+](=O)[O-] ZINC000813104272 670611588 /nfs/dbraw/zinc/61/15/88/670611588.db2.gz LHAABBHYXIKPHH-MRVPVSSYSA-N 0 3 319.339 0.097 20 5 DCBDHN CCNS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813108592 670611823 /nfs/dbraw/zinc/61/18/23/670611823.db2.gz HZKUIADUGNNTEZ-VIFPVBQESA-N 0 3 316.335 0.807 20 5 DCBDHN Cc1nc(Cn2nnc(C(=O)OCC(C)[N+](=O)[O-])c2C)no1 ZINC000813104456 670611859 /nfs/dbraw/zinc/61/18/59/670611859.db2.gz MVRAOVWZKWDHEN-LURJTMIESA-N 0 3 310.270 0.148 20 5 DCBDHN CC(COC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)[N+](=O)[O-] ZINC000813113286 670613347 /nfs/dbraw/zinc/61/33/47/670613347.db2.gz PBYDLPQDCQXVQZ-VIFPVBQESA-N 0 3 321.289 0.701 20 5 DCBDHN CN(CC1CN(C)C1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000853555164 671243592 /nfs/dbraw/zinc/24/35/92/671243592.db2.gz HBPJSDAZIOPEGC-UHFFFAOYSA-N 0 3 318.333 0.642 20 5 DCBDHN Cc1noc(CONC(=N)COC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000853726940 671262657 /nfs/dbraw/zinc/26/26/57/671262657.db2.gz ADJSBAYEOQHQHL-SECBINFHSA-N 0 3 314.298 0.943 20 5 DCBDHN O=C1[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1CCO ZINC000843103954 672061890 /nfs/dbraw/zinc/06/18/90/672061890.db2.gz FHPACVRZYGFWKK-UONOGXRCSA-N 0 3 323.349 0.201 20 5 DCBDHN C[N@H+]1CC=C(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591172564 1167125453 /nfs/dbraw/zinc/12/54/53/1167125453.db2.gz WNVYPIWYPANNOG-UHFFFAOYSA-N 0 3 316.325 0.844 20 5 DCBDHN C[N@@H+]1CC=C(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591172564 1167125456 /nfs/dbraw/zinc/12/54/56/1167125456.db2.gz WNVYPIWYPANNOG-UHFFFAOYSA-N 0 3 316.325 0.844 20 5 DCBDHN C[N@H+]1CC=C(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591172564 1167125458 /nfs/dbraw/zinc/12/54/58/1167125458.db2.gz WNVYPIWYPANNOG-UHFFFAOYSA-N 0 3 316.325 0.844 20 5 DCBDHN C[N@@H+]1CC=C(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591172564 1167125459 /nfs/dbraw/zinc/12/54/59/1167125459.db2.gz WNVYPIWYPANNOG-UHFFFAOYSA-N 0 3 316.325 0.844 20 5 DCBDHN C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001591188794 1167139744 /nfs/dbraw/zinc/13/97/44/1167139744.db2.gz POITWETVDBEYMN-UHFFFAOYSA-N 0 3 303.326 0.917 20 5 DCBDHN C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001591188794 1167139749 /nfs/dbraw/zinc/13/97/49/1167139749.db2.gz POITWETVDBEYMN-UHFFFAOYSA-N 0 3 303.326 0.917 20 5 DCBDHN C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001591188794 1167139754 /nfs/dbraw/zinc/13/97/54/1167139754.db2.gz POITWETVDBEYMN-UHFFFAOYSA-N 0 3 303.326 0.917 20 5 DCBDHN C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001591188794 1167139757 /nfs/dbraw/zinc/13/97/57/1167139757.db2.gz POITWETVDBEYMN-UHFFFAOYSA-N 0 3 303.326 0.917 20 5 DCBDHN C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C[NH+](C)C ZINC001603561942 1169322902 /nfs/dbraw/zinc/32/29/02/1169322902.db2.gz JJWSBKGBEDJCNU-QMMMGPOBSA-N 0 3 306.330 0.780 20 5 DCBDHN C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C[NH+](C)C ZINC001603561942 1169322904 /nfs/dbraw/zinc/32/29/04/1169322904.db2.gz JJWSBKGBEDJCNU-QMMMGPOBSA-N 0 3 306.330 0.780 20 5 DCBDHN C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN(C2CC2)C1 ZINC001636746488 1171747982 /nfs/dbraw/zinc/74/79/82/1171747982.db2.gz YDNBVCVUVDSVOI-JTQLQIEISA-N 0 3 308.342 0.129 20 5 DCBDHN CNc1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001647773287 1173055449 /nfs/dbraw/zinc/05/54/49/1173055449.db2.gz RAMCOBQRMGGTQM-LLVKDONJSA-N 0 3 320.349 0.839 20 5 DCBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CC(N[C@@H]2CCOC2)C1 ZINC001652687096 1173775159 /nfs/dbraw/zinc/77/51/59/1173775159.db2.gz KMIQHZLPWCKFAT-LLVKDONJSA-N 0 3 321.333 0.563 20 5 DCBDHN COc1c(O)ccc(CNC[C@]2(O)CCO[C@H]2C)c1[N+](=O)[O-] ZINC001664483319 1174435828 /nfs/dbraw/zinc/43/58/28/1174435828.db2.gz HLXSWIJYTTWXNH-LKFCYVNXSA-N 0 3 312.322 0.939 20 5 DCBDHN Cc1cc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])ncn1 ZINC001699257233 1177997466 /nfs/dbraw/zinc/99/74/66/1177997466.db2.gz NGGMXNKCXPHIPR-LLGAQUFESA-N 0 3 305.338 0.212 20 5 DCBDHN CCc1onc(C)c1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001754514214 1188872253 /nfs/dbraw/zinc/87/22/53/1188872253.db2.gz VCHPSUHRBVVGCL-ZYHUDNBSSA-N 0 3 322.365 0.949 20 5 DCBDHN COCCOCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124908588 751740904 /nfs/dbraw/zinc/74/09/04/751740904.db2.gz NSHHLFVDTUAJQZ-UHFFFAOYSA-N 0 3 311.338 0.464 20 5 DCBDHN C[NH+](C)CCC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107490155 752081668 /nfs/dbraw/zinc/08/16/68/752081668.db2.gz UELAOHVRUAOTNJ-ARJAWSKDSA-N 0 3 323.353 0.731 20 5 DCBDHN CN1CCN(C(=N)Nc2ncnc3[nH]cc([N+](=O)[O-])c32)CC1 ZINC001168734908 753964437 /nfs/dbraw/zinc/96/44/37/753964437.db2.gz DFINXSMGLWOVHK-UHFFFAOYSA-N 0 3 304.314 0.460 20 5 DCBDHN CC(C)OCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001155384253 759794917 /nfs/dbraw/zinc/79/49/17/759794917.db2.gz WMOSMXJZNGVJGD-UHFFFAOYSA-N 0 3 313.358 0.349 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@H]1CCN1C1CCOCC1 ZINC001123249065 767953585 /nfs/dbraw/zinc/95/35/85/767953585.db2.gz XAJVJRLKMNBEFM-GFCCVEGCSA-N 0 3 324.337 0.588 20 5 DCBDHN Cn1cncc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130897059 763560092 /nfs/dbraw/zinc/56/00/92/763560092.db2.gz UNPDUPRNRIDTTD-UHFFFAOYSA-N 0 3 303.322 0.848 20 5 DCBDHN CN1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC001117737366 766136787 /nfs/dbraw/zinc/13/67/87/766136787.db2.gz LQGIFHPLDIJSJW-UHFFFAOYSA-N 0 3 308.338 0.507 20 5 DCBDHN Cc1nn(C)c(N2CC[C@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC001120071350 766894324 /nfs/dbraw/zinc/89/43/24/766894324.db2.gz SQKVQBIKQDDWGF-NWDGAFQWSA-N 0 3 309.370 0.672 20 5 DCBDHN NCCS(=O)(=O)N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897932 769513154 /nfs/dbraw/zinc/51/31/54/769513154.db2.gz DWDJVWGVZYKTJI-LBPRGKRZSA-N 0 3 313.379 0.720 20 5 DCBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)S(=O)(=O)CCN ZINC001173214911 769561195 /nfs/dbraw/zinc/56/11/95/769561195.db2.gz RNOMZNPFUBOKLT-SNVBAGLBSA-N 0 3 301.368 0.746 20 5 DCBDHN COC(=O)NCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155129279 770407789 /nfs/dbraw/zinc/40/77/89/770407789.db2.gz GCIMKNUIXWRMDG-UHFFFAOYSA-N 0 3 324.337 0.547 20 5 DCBDHN Cc1ncc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)[nH]1 ZINC001155767931 770612513 /nfs/dbraw/zinc/61/25/13/770612513.db2.gz TVXVLFRVUZMIEQ-UHFFFAOYSA-N 0 3 321.341 0.270 20 5 DCBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC(N[C@@H]2CCOC2)C1 ZINC001179007987 770926941 /nfs/dbraw/zinc/92/69/41/770926941.db2.gz GFSZVKIGPAMOOX-LLVKDONJSA-N 0 3 323.324 0.866 20 5 DCBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2ccc([C@H](C)N)n2)n1 ZINC001158356869 771763752 /nfs/dbraw/zinc/76/37/52/771763752.db2.gz VVBSPNWKUMZIKX-LURJTMIESA-N 0 3 305.298 0.857 20 5 DCBDHN C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC001185801300 771957717 /nfs/dbraw/zinc/95/77/17/771957717.db2.gz DIMHQYJEYODTAQ-QWHCGFSZSA-N 0 3 322.413 0.791 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCCF ZINC001164058022 772609496 /nfs/dbraw/zinc/60/94/96/772609496.db2.gz VLHALJUHFXVGAM-UHFFFAOYSA-N 0 3 301.322 0.674 20 5 DCBDHN Nc1nc(N2CC[C@@H]3[C@@H]2CCCN3CCO)ncc1[N+](=O)[O-] ZINC001164303007 772642370 /nfs/dbraw/zinc/64/23/70/772642370.db2.gz NCBNISDBLYUZIE-ZJUUUORDSA-N 0 3 308.342 0.002 20 5 DCBDHN Cc1nonc1CNCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490190 772667481 /nfs/dbraw/zinc/66/74/81/772667481.db2.gz BWPSNIXIOBXAEW-ZYHUDNBSSA-N 0 3 323.353 0.419 20 5 DCBDHN CS(=O)(=O)N(c1ccc2cccc([N+](=O)[O-])c2n1)C1CNC1 ZINC001166969815 772893170 /nfs/dbraw/zinc/89/31/70/772893170.db2.gz XYISENQDNFGIJG-UHFFFAOYSA-N 0 3 322.346 0.881 20 5 DCBDHN CS(=O)(=O)N(c1ncnc2ccc([N+](=O)[O-])cc21)C1CNC1 ZINC001166969238 772893561 /nfs/dbraw/zinc/89/35/61/772893561.db2.gz QCQUVZWOSSDKCB-UHFFFAOYSA-N 0 3 323.334 0.276 20 5 DCBDHN CCOc1ccc(C(=O)NCCN(C)CCO)cc1[N+](=O)[O-] ZINC001596048343 1167986634 /nfs/dbraw/zinc/98/66/34/1167986634.db2.gz XFYFDRSWGGUFEN-UHFFFAOYSA-N 0 3 311.338 0.647 20 5 DCBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCC(N)=O ZINC001254547062 946409551 /nfs/dbraw/zinc/40/95/51/946409551.db2.gz UOVURRQKRDPLJG-ZJUUUORDSA-N 0 3 308.338 0.105 20 5 DCBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CC(N)=O ZINC001273305275 946458799 /nfs/dbraw/zinc/45/87/99/946458799.db2.gz HNMOZSORGJQEED-UHFFFAOYSA-N 0 3 308.338 0.408 20 5 DCBDHN CN(C)[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001334868480 952405248 /nfs/dbraw/zinc/40/52/48/952405248.db2.gz PYYVEHUCZJRVTO-LLVKDONJSA-N 0 3 308.338 0.309 20 5 DCBDHN CC[C@@H](C)N1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001338015396 952947823 /nfs/dbraw/zinc/94/78/23/952947823.db2.gz MSIBGQFAMIPVER-GFCCVEGCSA-N 0 3 310.402 0.945 20 5 DCBDHN NC(=O)c1ccnc(NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC001307124851 960142462 /nfs/dbraw/zinc/14/24/62/960142462.db2.gz DLXGIEVDLGUGLT-SNVBAGLBSA-N 0 3 323.353 0.347 20 5 DCBDHN CN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001471868287 1016679266 /nfs/dbraw/zinc/67/92/66/1016679266.db2.gz WLZYQQINXKQMTC-UHFFFAOYSA-N 0 3 318.333 0.797 20 5 DCBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CC(N[C@H]2CCOC2)C1 ZINC001456291332 1010170454 /nfs/dbraw/zinc/17/04/54/1010170454.db2.gz FNCIJLBYVHYWFA-LBPRGKRZSA-N 0 3 305.334 0.727 20 5 DCBDHN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC(N[C@@H]2CCOC2)C1 ZINC001558552272 1012366361 /nfs/dbraw/zinc/36/63/61/1012366361.db2.gz WLVASSFTHUZGGQ-BXUZGUMPSA-N 0 3 321.333 0.218 20 5 DCBDHN CN(CCCn1ccnc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000181064989 199246917 /nfs/dbraw/zinc/24/69/17/199246917.db2.gz IZGBFNJSQBPTKQ-UHFFFAOYSA-N 0 3 305.338 0.975 20 5 DCBDHN CC(=O)N1CC[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000566116089 291271730 /nfs/dbraw/zinc/27/17/30/291271730.db2.gz TYNAVGSBBGBYFG-TZMCWYRMSA-N 0 3 323.349 0.545 20 5 DCBDHN CN(C)CCOC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000562398655 288572168 /nfs/dbraw/zinc/57/21/68/288572168.db2.gz IHLQPUCHHQVTKE-UHFFFAOYSA-N 0 3 311.342 0.501 20 5 DCBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000569494675 291482757 /nfs/dbraw/zinc/48/27/57/291482757.db2.gz PYXQEJMNGQVAMF-UHFFFAOYSA-N 0 3 306.326 0.944 20 5 DCBDHN CCN(C)C(=O)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571672472 291526865 /nfs/dbraw/zinc/52/68/65/291526865.db2.gz SSZNGZNGWFIWFT-GFCCVEGCSA-N 0 3 311.338 0.402 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572060120 291547062 /nfs/dbraw/zinc/54/70/62/291547062.db2.gz RBSPJFQFPNTZEN-YPMHNXCESA-N 0 3 318.333 0.287 20 5 DCBDHN O=C([C@H]1C[C@H](F)CN1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000188220601 284587448 /nfs/dbraw/zinc/58/74/48/284587448.db2.gz WKMONZIIKBUNGR-NWDGAFQWSA-N 0 3 322.340 0.943 20 5 DCBDHN CN1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272962858 210348538 /nfs/dbraw/zinc/34/85/38/210348538.db2.gz STLJFVHCVAGOOM-ZDUSSCGKSA-N 0 3 309.366 0.972 20 5 DCBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000346691005 254083847 /nfs/dbraw/zinc/08/38/47/254083847.db2.gz VJEBNONXMMGZNV-CMPLNLGQSA-N 0 3 309.322 0.640 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000349690934 254293010 /nfs/dbraw/zinc/29/30/10/254293010.db2.gz HAZUMUOZHHGESM-LBPRGKRZSA-N 0 3 323.397 0.689 20 5 DCBDHN Cc1n[nH]c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000330779647 533666198 /nfs/dbraw/zinc/66/61/98/533666198.db2.gz WJNUPOITDRFUCX-SNVBAGLBSA-N 0 3 324.385 0.240 20 5 DCBDHN CN(CCCS(N)(=O)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285174827 131145151 /nfs/dbraw/zinc/14/51/51/131145151.db2.gz BHLDYSRWHOAYDR-UHFFFAOYSA-N 0 3 301.368 0.748 20 5 DCBDHN CCN1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000046947737 395782785 /nfs/dbraw/zinc/78/27/85/395782785.db2.gz RQVRGVSWWCVPEX-LLVKDONJSA-N 0 3 309.370 0.679 20 5 DCBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000111304068 395806974 /nfs/dbraw/zinc/80/69/74/395806974.db2.gz ZRBQOVBJSUCNAP-MRVPVSSYSA-N 0 3 303.340 0.619 20 5 DCBDHN CC(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000068184172 396048246 /nfs/dbraw/zinc/04/82/46/396048246.db2.gz DJYREUDTMFSWOP-VIFPVBQESA-N 0 3 316.335 0.523 20 5 DCBDHN CNC(=O)c1ccc(NCCN(C)CCOC)c([N+](=O)[O-])c1 ZINC000171070395 396105310 /nfs/dbraw/zinc/10/53/10/396105310.db2.gz SVAMRJFLWPIDBU-UHFFFAOYSA-N 0 3 310.354 0.945 20 5 DCBDHN COCCN1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000264609707 396295300 /nfs/dbraw/zinc/29/53/00/396295300.db2.gz ZGGDZPNXSXFXCT-CYBMUJFWSA-N 0 3 307.350 0.974 20 5 DCBDHN CCN(CCO)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000187197535 396365403 /nfs/dbraw/zinc/36/54/03/396365403.db2.gz MKOJQPXUWBVEDR-UHFFFAOYSA-N 0 3 324.381 0.751 20 5 DCBDHN COC(=O)c1cc(NC(=O)C[C@@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC000269242638 396398916 /nfs/dbraw/zinc/39/89/16/396398916.db2.gz QTPHPZNBFYPCBP-GFCCVEGCSA-N 0 3 323.305 0.698 20 5 DCBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000580789387 396500994 /nfs/dbraw/zinc/50/09/94/396500994.db2.gz SAEAZUKJNABCCY-HNNXBMFYSA-N 0 3 323.324 0.920 20 5 DCBDHN COc1cc(CNC[C@]2(O)CCOC2)c([N+](=O)[O-])cc1OC ZINC000269978845 396457181 /nfs/dbraw/zinc/45/71/81/396457181.db2.gz MPRNNOYBXWZAMC-CQSZACIVSA-N 0 3 312.322 0.853 20 5 DCBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531013137 396587621 /nfs/dbraw/zinc/58/76/21/396587621.db2.gz HAPIRRPWNYASSL-UHFFFAOYSA-N 0 3 309.322 1.000 20 5 DCBDHN N[C@H]1C[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000594875974 396533317 /nfs/dbraw/zinc/53/33/17/396533317.db2.gz UOYIEMLKCYHSCN-CABZTGNLSA-N 0 3 308.313 0.478 20 5 DCBDHN N[C@H]1C[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2C1=O ZINC000581559207 396565522 /nfs/dbraw/zinc/56/55/22/396565522.db2.gz QGSUHABHJLZYRO-ZJUUUORDSA-N 0 3 316.321 0.219 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000595471130 396614218 /nfs/dbraw/zinc/61/42/18/396614218.db2.gz XKOUHUOGYMMJHP-CQSZACIVSA-N 0 3 323.397 0.978 20 5 DCBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562824490 396682887 /nfs/dbraw/zinc/68/28/87/396682887.db2.gz UZUZTVFWTWNPGQ-LBPRGKRZSA-N 0 3 322.365 0.701 20 5 DCBDHN COc1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC000588869443 396696597 /nfs/dbraw/zinc/69/65/97/396696597.db2.gz PUFPOUWRCRMXNR-GFCCVEGCSA-N 0 3 323.349 0.790 20 5 DCBDHN N[C@H]1C[C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CCN2C1=O ZINC000596014315 396707988 /nfs/dbraw/zinc/70/79/88/396707988.db2.gz NNWFXYIEKCQEKU-CBAPKCEASA-N 0 3 311.729 0.391 20 5 DCBDHN COC(=O)c1cc(C)nc(N[C@H](CO)CN(C)C)c1[N+](=O)[O-] ZINC000596244986 396742564 /nfs/dbraw/zinc/74/25/64/396742564.db2.gz UCJSLFVRITXIEB-VIFPVBQESA-N 0 3 312.326 0.419 20 5 DCBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CN2CCN1CCC2 ZINC000611200840 396833852 /nfs/dbraw/zinc/83/38/52/396833852.db2.gz DOQRTNCRRIMROD-AWEZNQCLSA-N 0 3 304.350 0.601 20 5 DCBDHN COc1cc(CNC[C@H]2CCCNC2=O)c([N+](=O)[O-])cc1O ZINC000590971850 396861201 /nfs/dbraw/zinc/86/12/01/396861201.db2.gz QJRUROWEGPUZEE-SECBINFHSA-N 0 3 309.322 0.925 20 5 DCBDHN O=C(NCCN1CC[C@@H](O)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600529827 396883739 /nfs/dbraw/zinc/88/37/39/396883739.db2.gz DHYKZEWPJVLIBN-SNVBAGLBSA-N 0 3 319.321 0.268 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc2c1CCNC2 ZINC000571789797 396988231 /nfs/dbraw/zinc/98/82/31/396988231.db2.gz NQICUQIXAANHHZ-UHFFFAOYSA-N 0 3 302.294 0.471 20 5 DCBDHN CN1CCC[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591747755 396995552 /nfs/dbraw/zinc/99/55/52/396995552.db2.gz FKICHUWDZPKRMI-TZMCWYRMSA-N 0 3 323.349 0.545 20 5 DCBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377513306 397090794 /nfs/dbraw/zinc/09/07/94/397090794.db2.gz SQIKYGKILWRKIV-DGCLKSJQSA-N 0 3 323.353 0.161 20 5 DCBDHN C[C@H]1OCC[C@]1(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000618970399 397049778 /nfs/dbraw/zinc/04/97/78/397049778.db2.gz BWENMFVJKINQPU-BMIGLBTASA-N 0 3 324.333 0.996 20 5 DCBDHN CC(C)[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1 ZINC000592543829 397205891 /nfs/dbraw/zinc/20/58/91/397205891.db2.gz OTUFYVBEIWSGCB-LLVKDONJSA-N 0 3 308.338 0.213 20 5 DCBDHN Cc1[nH]nc(C(=O)Nc2cnc3c(c2)CNCC3)c1[N+](=O)[O-] ZINC000592540940 397206456 /nfs/dbraw/zinc/20/64/56/397206456.db2.gz XJBZQOGSLLJPTR-UHFFFAOYSA-N 0 3 302.294 0.919 20 5 DCBDHN CN1CC[C@@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598593855 397254202 /nfs/dbraw/zinc/25/42/02/397254202.db2.gz XNMHMJXOBXAQEU-NSHDSACASA-N 0 3 322.369 0.585 20 5 DCBDHN Cc1nn(C)c(C(=O)NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000604382269 397638576 /nfs/dbraw/zinc/63/85/76/397638576.db2.gz GEDWPAQUJKZELV-UHFFFAOYSA-N 0 3 307.354 0.993 20 5 DCBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCCCN1CCC(O)CC1 ZINC000609883490 397795693 /nfs/dbraw/zinc/79/56/93/397795693.db2.gz NYCSHFVKBGUYHV-UHFFFAOYSA-N 0 3 310.354 0.510 20 5 DCBDHN CC[C@](C)(NC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000133556475 158320817 /nfs/dbraw/zinc/32/08/17/158320817.db2.gz GGGKEAIKWIKQPZ-FZMZJTMJSA-N 0 3 311.338 0.578 20 5 DCBDHN O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@]1(F)CCNC1 ZINC000169193291 158373290 /nfs/dbraw/zinc/37/32/90/158373290.db2.gz VXORHFVHXOVXPA-HZMBPMFUSA-N 0 3 323.328 0.704 20 5 DCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000323071826 159012851 /nfs/dbraw/zinc/01/28/51/159012851.db2.gz ONDBGLYCFMFMQU-MWLCHTKSSA-N 0 3 321.337 0.165 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000367834215 159358896 /nfs/dbraw/zinc/35/88/96/159358896.db2.gz VBAPYDWPLKWQRH-UWVGGRQHSA-N 0 3 317.342 0.882 20 5 DCBDHN C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000273052234 415305559 /nfs/dbraw/zinc/30/55/59/415305559.db2.gz XLEULOHQLKNJJM-NSHDSACASA-N 0 3 307.354 0.948 20 5 DCBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1COC[C@H]1O ZINC000352797181 415324773 /nfs/dbraw/zinc/32/47/73/415324773.db2.gz IBPRVJPRGBAGRX-QWHCGFSZSA-N 0 3 309.322 0.615 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)[C@@H](O)C1 ZINC000278819148 415491048 /nfs/dbraw/zinc/49/10/48/415491048.db2.gz POQJCPVOJAKMRN-BETUJISGSA-N 0 3 309.322 0.269 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)[C@H](O)C1 ZINC000278819155 415492459 /nfs/dbraw/zinc/49/24/59/415492459.db2.gz POQJCPVOJAKMRN-CHWSQXEVSA-N 0 3 309.322 0.269 20 5 DCBDHN C[C@@H](O)CN(CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289931065 415739562 /nfs/dbraw/zinc/73/95/62/415739562.db2.gz UVGOGMQIQBAONI-YPMHNXCESA-N 0 3 314.338 0.010 20 5 DCBDHN Cc1c(CC(=O)NC[C@@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000153111809 415975093 /nfs/dbraw/zinc/97/50/93/415975093.db2.gz RKIZGLTUOJZIQU-OAHLLOKOSA-N 0 3 309.366 0.875 20 5 DCBDHN C[C@@H](O)CN(CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298509297 416011796 /nfs/dbraw/zinc/01/17/96/416011796.db2.gz KNRSOHYMEWYXAX-LLVKDONJSA-N 0 3 311.338 0.599 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C ZINC000170400061 416027688 /nfs/dbraw/zinc/02/76/88/416027688.db2.gz VGHSOOOSEKKJPL-UHFFFAOYSA-N 0 3 310.310 0.220 20 5 DCBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345730391 416140914 /nfs/dbraw/zinc/14/09/14/416140914.db2.gz XQHONWDDSGPKPV-UHFFFAOYSA-N 0 3 323.397 0.691 20 5 DCBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331460682 416316595 /nfs/dbraw/zinc/31/65/95/416316595.db2.gz YWXFPHCGXVSAEG-GHMZBOCLSA-N 0 3 308.342 0.272 20 5 DCBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000331467850 416317329 /nfs/dbraw/zinc/31/73/29/416317329.db2.gz HTOFUTBTIDQAJV-PELKAZGASA-N 0 3 305.338 0.785 20 5 DCBDHN Cc1c(CNC(=O)C(=O)N2CCCNCC2)cccc1[N+](=O)[O-] ZINC000419753742 416408888 /nfs/dbraw/zinc/40/88/88/416408888.db2.gz AMFKRTPUTGBBMU-UHFFFAOYSA-N 0 3 320.349 0.341 20 5 DCBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362069944 416554525 /nfs/dbraw/zinc/55/45/25/416554525.db2.gz VLBLBKMWCPGFSO-JHJVBQTASA-N 0 3 310.350 0.895 20 5 DCBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000362073068 416555602 /nfs/dbraw/zinc/55/56/02/416555602.db2.gz TWYBHKCLTHIXSF-BZPMIXESSA-N 0 3 310.350 0.895 20 5 DCBDHN CN(C)CCN(CC[NH+](C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000542809813 416632581 /nfs/dbraw/zinc/63/25/81/416632581.db2.gz GVPRCTRQHUCJGD-UHFFFAOYSA-N 0 3 324.381 0.866 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2CO)c1 ZINC000516650866 416733555 /nfs/dbraw/zinc/73/35/55/416733555.db2.gz ITPYQMGKFINEPJ-CQSZACIVSA-N 0 3 306.322 0.434 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516937928 416760002 /nfs/dbraw/zinc/76/00/02/416760002.db2.gz GTDGZHKZRCKHCW-ZIAGYGMSSA-N 0 3 304.350 0.647 20 5 DCBDHN C[C@H]1CCN(C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000426972402 416792101 /nfs/dbraw/zinc/79/21/01/416792101.db2.gz GBEDECAICUGJIV-NSHDSACASA-N 0 3 310.358 0.527 20 5 DCBDHN COCCN(CCN(C)C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573503840 417472545 /nfs/dbraw/zinc/47/25/45/417472545.db2.gz RLKWQZSAUSEDLF-UHFFFAOYSA-N 0 3 311.342 0.222 20 5 DCBDHN CNc1nccc(C(=O)NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000574289431 417480073 /nfs/dbraw/zinc/48/00/73/417480073.db2.gz DGVHOKVODJGYAY-JTQLQIEISA-N 0 3 307.354 1.103 20 5 DCBDHN CC(C)(O)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000575378836 417533201 /nfs/dbraw/zinc/53/32/01/417533201.db2.gz JINLFBRAICLWCZ-UHFFFAOYSA-N 0 3 302.352 0.729 20 5 DCBDHN Cc1c([C@H](C)NCC(=O)N2CCNCC2)cccc1[N+](=O)[O-] ZINC000576575618 417618302 /nfs/dbraw/zinc/61/83/02/417618302.db2.gz GYTRPYMBRVODPO-LBPRGKRZSA-N 0 3 306.366 0.986 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000578023422 417682652 /nfs/dbraw/zinc/68/26/52/417682652.db2.gz WSBPTWCSWALRAS-KBPBESRZSA-N 0 3 322.365 0.448 20 5 DCBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578949993 417688165 /nfs/dbraw/zinc/68/81/65/417688165.db2.gz PPQQGCBFIGTJPB-GZMMTYOYSA-N 0 3 305.338 0.785 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CNCCO1 ZINC000417184145 262247404 /nfs/dbraw/zinc/24/74/04/262247404.db2.gz QTLRYQQCLDMNTO-GFCCVEGCSA-N 0 3 324.337 0.391 20 5 DCBDHN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CCCNC2)cc1 ZINC000420398529 262372997 /nfs/dbraw/zinc/37/29/97/262372997.db2.gz ANAWFDDHBCKOJT-LBPRGKRZSA-N 0 3 313.379 0.809 20 5 DCBDHN Cc1c([C@H]2OCC[C@@H]2NCCn2cc([N+](=O)[O-])cn2)cnn1C ZINC000431949570 262638757 /nfs/dbraw/zinc/63/87/57/262638757.db2.gz JBHOHWLWARYVOE-UONOGXRCSA-N 0 3 320.353 0.953 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CO)c2cccc(F)c2)c1 ZINC000359626790 271133692 /nfs/dbraw/zinc/13/36/92/271133692.db2.gz RLWFQHFQHLXNTB-KGLIPLIRSA-N 0 3 324.312 0.615 20 5 DCBDHN C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1 ZINC000420233781 271366534 /nfs/dbraw/zinc/36/65/34/271366534.db2.gz FTKVZHXWQXIWKU-SSDOTTSWSA-N 0 3 305.381 0.858 20 5 DCBDHN COc1ccc(OCCN[C@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000459825709 272013395 /nfs/dbraw/zinc/01/33/95/272013395.db2.gz LIIORKLJHRHFEY-SMDDNHRTSA-N 0 3 312.322 0.986 20 5 DCBDHN C[C@H](CO)N1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000343206613 279360381 /nfs/dbraw/zinc/36/03/81/279360381.db2.gz OEMZBYYOPYDWLG-LLVKDONJSA-N 0 3 322.365 0.587 20 5 DCBDHN C[C@H](C[S@@](C)=O)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563530186 288683115 /nfs/dbraw/zinc/68/31/15/288683115.db2.gz CUOTYRUWSNHSLF-OIAVYIFSSA-N 0 3 316.379 0.691 20 5 DCBDHN N[C@@H]1C[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000583154826 337247341 /nfs/dbraw/zinc/24/73/41/337247341.db2.gz IIPXXDNJZNXGPC-VHSXEESVSA-N 0 3 310.741 0.996 20 5 DCBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000036299402 337352808 /nfs/dbraw/zinc/35/28/08/337352808.db2.gz XRMNJCAFAIWXMP-UHFFFAOYSA-N 0 3 317.367 0.881 20 5 DCBDHN COCCNCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237326265 523939063 /nfs/dbraw/zinc/93/90/63/523939063.db2.gz RBNZLKIWYQTMHJ-UHFFFAOYSA-N 0 3 307.310 0.437 20 5 DCBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCN(C)C ZINC000181023173 526055812 /nfs/dbraw/zinc/05/58/12/526055812.db2.gz AJFDHZXRWQLZJO-UHFFFAOYSA-N 0 3 308.338 0.828 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266900106 527416141 /nfs/dbraw/zinc/41/61/41/527416141.db2.gz GIWUYIDPHPDPNI-DGCLKSJQSA-N 0 3 320.353 0.755 20 5 DCBDHN CN(CCO)CCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001671789288 1175036922 /nfs/dbraw/zinc/03/69/22/1175036922.db2.gz JVKILHHBQIMHIE-UHFFFAOYSA-N 0 3 300.290 0.780 20 5 DCBDHN CC[N@H+]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000821240286 606731861 /nfs/dbraw/zinc/73/18/61/606731861.db2.gz FYOUBBLLEFINDW-KWQFWETISA-N 0 3 318.341 0.922 20 5 DCBDHN CC[N@@H+]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000821240286 606731863 /nfs/dbraw/zinc/73/18/63/606731863.db2.gz FYOUBBLLEFINDW-KWQFWETISA-N 0 3 318.341 0.922 20 5 DCBDHN CC[N@H+]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000821240286 606731865 /nfs/dbraw/zinc/73/18/65/606731865.db2.gz FYOUBBLLEFINDW-KWQFWETISA-N 0 3 318.341 0.922 20 5 DCBDHN CC[N@@H+]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000821240286 606731866 /nfs/dbraw/zinc/73/18/66/606731866.db2.gz FYOUBBLLEFINDW-KWQFWETISA-N 0 3 318.341 0.922 20 5 DCBDHN CN(CCO)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000899734463 663188035 /nfs/dbraw/zinc/18/80/35/663188035.db2.gz HFIMQBKBWRRYFV-UHFFFAOYSA-N 0 3 310.354 0.071 20 5 DCBDHN Cc1ncsc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031661575 665273950 /nfs/dbraw/zinc/27/39/50/665273950.db2.gz CKAFFJKUFRIMCV-GHMZBOCLSA-N 0 3 310.379 0.665 20 5 DCBDHN Cc1nocc1CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002781480 666220646 /nfs/dbraw/zinc/22/06/46/666220646.db2.gz DPVBSIPASJEUBN-CHWSQXEVSA-N 0 3 308.338 0.729 20 5 DCBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2ccnn2C)CC1 ZINC001005378418 666838956 /nfs/dbraw/zinc/83/89/56/666838956.db2.gz KPOALAXXOJEHKF-ZIAGYGMSSA-N 0 3 321.381 0.508 20 5 DCBDHN O=C1OC[C@@]2(CNCc3ccc([N+](=O)[O-])cc3)COCCN12 ZINC000865768207 667344713 /nfs/dbraw/zinc/34/47/13/667344713.db2.gz DYSGBHMZMDAYPJ-CQSZACIVSA-N 0 3 307.306 0.906 20 5 DCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 ZINC000756817971 668101527 /nfs/dbraw/zinc/10/15/27/668101527.db2.gz JEYHYOJVSXJSNA-QWRGUYRKSA-N 0 3 323.353 0.404 20 5 DCBDHN COC(=O)C[C@]1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000767032056 668556752 /nfs/dbraw/zinc/55/67/52/668556752.db2.gz PQSFLWJAOKLQDW-DZGCQCFKSA-N 0 3 324.333 0.940 20 5 DCBDHN COC(=O)C[C@]1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000767032060 668556957 /nfs/dbraw/zinc/55/69/57/668556957.db2.gz PQSFLWJAOKLQDW-UKRRQHHQSA-N 0 3 324.333 0.940 20 5 DCBDHN O=C(CN[C@@H](CO)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000771800962 668751913 /nfs/dbraw/zinc/75/19/13/668751913.db2.gz HNMRHEOPCUOEOP-JTQLQIEISA-N 0 3 323.305 0.623 20 5 DCBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000930874168 669098397 /nfs/dbraw/zinc/09/83/97/669098397.db2.gz FDYQAOSOKPPRMJ-PWSUYJOCSA-N 0 3 305.338 0.888 20 5 DCBDHN CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931406835 669194754 /nfs/dbraw/zinc/19/47/54/669194754.db2.gz RKOUOBASEHAMPR-AWEZNQCLSA-N 0 3 322.365 0.532 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCN(CCCCCO)CC2)c1 ZINC000931497422 669213099 /nfs/dbraw/zinc/21/30/99/669213099.db2.gz QPBKVDZKYCUVHL-UHFFFAOYSA-N 0 3 311.386 0.572 20 5 DCBDHN Nc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000808157408 670393232 /nfs/dbraw/zinc/39/32/32/670393232.db2.gz WKTJCWHRKVVIGI-VXGBXAGGSA-N 0 3 320.349 0.458 20 5 DCBDHN CC(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N+](=O)[O-] ZINC000813108073 670611415 /nfs/dbraw/zinc/61/14/15/670611415.db2.gz UWFQHUSYHNMJIW-GARJFASQSA-N 0 3 312.322 0.760 20 5 DCBDHN CC(COC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)[N+](=O)[O-] ZINC000813109006 670611628 /nfs/dbraw/zinc/61/16/28/670611628.db2.gz NLNLWWCDTCKGAO-DTWKUNHWSA-N 0 3 313.310 0.448 20 5 DCBDHN CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813106774 670611794 /nfs/dbraw/zinc/61/17/94/670611794.db2.gz GYKIHIZXVKHUHR-VHSXEESVSA-N 0 3 308.356 0.257 20 5 DCBDHN CC(COC(=O)CCn1cnc2ccccc2c1=O)[N+](=O)[O-] ZINC000813112383 670613375 /nfs/dbraw/zinc/61/33/75/670613375.db2.gz GIIVUUCJQZCLJG-SNVBAGLBSA-N 0 3 305.290 0.995 20 5 DCBDHN CC(COC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)[N+](=O)[O-] ZINC000851035971 670963170 /nfs/dbraw/zinc/96/31/70/670963170.db2.gz CTGAGVKQFZLKEI-JIMOISOXSA-N 0 3 323.305 0.188 20 5 DCBDHN CN(C)CC1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000853651429 671255922 /nfs/dbraw/zinc/25/59/22/671255922.db2.gz DEEOUZOOXNYGMQ-UHFFFAOYSA-N 0 3 313.379 0.996 20 5 DCBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000845630517 672267987 /nfs/dbraw/zinc/26/79/87/672267987.db2.gz JYVFWFBJOBYIRM-UHFFFAOYSA-N 0 3 310.329 0.944 20 5 DCBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCN(Cc1cncs1)C2 ZINC001072725233 694657243 /nfs/dbraw/zinc/65/72/43/694657243.db2.gz KTCAGAGTLZZYFT-VXGBXAGGSA-N 0 3 322.390 0.843 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001304661881 1159155557 /nfs/dbraw/zinc/15/55/57/1159155557.db2.gz PHSNCWODUNSHFM-OLZOCXBDSA-N 0 3 308.338 0.594 20 5 DCBDHN C[C@]1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CNCCO1 ZINC001576509968 1164370779 /nfs/dbraw/zinc/37/07/79/1164370779.db2.gz PGCUCDBBAOLQDO-OAHLLOKOSA-N 0 3 322.365 0.892 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCN1C1CCOCC1 ZINC001585180528 1166408050 /nfs/dbraw/zinc/40/80/50/1166408050.db2.gz IYKKBRIFXUHWPD-LBPRGKRZSA-N 0 3 323.353 0.161 20 5 DCBDHN O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC001593475955 1167864542 /nfs/dbraw/zinc/86/45/42/1167864542.db2.gz HIIFVDJXNUQKQL-DTORHVGOSA-N 0 3 301.310 0.431 20 5 DCBDHN O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC001593475955 1167864550 /nfs/dbraw/zinc/86/45/50/1167864550.db2.gz HIIFVDJXNUQKQL-DTORHVGOSA-N 0 3 301.310 0.431 20 5 DCBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001597700909 1168011690 /nfs/dbraw/zinc/01/16/90/1168011690.db2.gz LXAKQRQTWQHQJP-SECBINFHSA-N 0 3 306.322 0.380 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001607079144 1170381980 /nfs/dbraw/zinc/38/19/80/1170381980.db2.gz KETUEEYANRFQDT-NXEZZACHSA-N 0 3 301.310 0.431 20 5 DCBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001607079144 1170381984 /nfs/dbraw/zinc/38/19/84/1170381984.db2.gz KETUEEYANRFQDT-NXEZZACHSA-N 0 3 301.310 0.431 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001643802583 1171986281 /nfs/dbraw/zinc/98/62/81/1171986281.db2.gz BAQNEUPHHAPKCX-NWDGAFQWSA-N 0 3 320.349 0.458 20 5 DCBDHN O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001643802950 1171986739 /nfs/dbraw/zinc/98/67/39/1171986739.db2.gz JLVPRWQDPYNJDE-WDEREUQCSA-N 0 3 311.363 0.937 20 5 DCBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC(N[C@H]2CCOC2)C1 ZINC001645425203 1172041532 /nfs/dbraw/zinc/04/15/32/1172041532.db2.gz DAGWDPICFHDRGL-LBPRGKRZSA-N 0 3 323.324 0.866 20 5 DCBDHN O=C(CCN1CC[C@H](O)[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654751546 1173811437 /nfs/dbraw/zinc/81/14/37/1173811437.db2.gz GYTXXNIGLPBRCI-RISCZKNCSA-N 0 3 323.349 0.599 20 5 DCBDHN CN1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001680738199 1175845619 /nfs/dbraw/zinc/84/56/19/1175845619.db2.gz ZMGKZBQFPTUPCY-JTQLQIEISA-N 0 3 321.337 0.909 20 5 DCBDHN Cc1cc(C(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)n[nH]1 ZINC001704399397 1179999069 /nfs/dbraw/zinc/99/90/69/1179999069.db2.gz KAGWMGGXROZCAA-ZYHUDNBSSA-N 0 3 321.337 0.104 20 5 DCBDHN CN(C)c1cc(CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001713451618 1180831514 /nfs/dbraw/zinc/83/15/14/1180831514.db2.gz LYXQGHFPYJUHTG-CHWSQXEVSA-N 0 3 321.381 0.361 20 5 DCBDHN Cn1c(=O)cc(Nc2cc3c(cc2[N+](=O)[O-])CNC3)n(C)c1=O ZINC001167773137 748176514 /nfs/dbraw/zinc/17/65/14/748176514.db2.gz WPXZZIWETDQQMX-UHFFFAOYSA-N 0 3 317.305 0.339 20 5 DCBDHN O=C(Cn1nccn1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001128269889 753500070 /nfs/dbraw/zinc/50/00/70/753500070.db2.gz VVTBTZRUQWENAE-UHFFFAOYSA-N 0 3 304.310 0.092 20 5 DCBDHN COc1ccc(C[C@H](C)N2C[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334049 762612159 /nfs/dbraw/zinc/61/21/59/762612159.db2.gz AGYGMRIWDFERSY-ITDIGPHOSA-N 0 3 310.350 0.819 20 5 DCBDHN COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H](C)[C@@H]1CNCCO1 ZINC001170572069 763875221 /nfs/dbraw/zinc/87/52/21/763875221.db2.gz GPKPGOUIEJUYBX-KCJUWKMLSA-N 0 3 310.310 0.565 20 5 DCBDHN O=C(Cc1c[nH]cn1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001134407008 765508032 /nfs/dbraw/zinc/50/80/32/765508032.db2.gz MFIHHRPTCNUMNB-UHFFFAOYSA-N 0 3 303.322 0.766 20 5 DCBDHN CN(CCO)CCN(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001119970380 766874085 /nfs/dbraw/zinc/87/40/85/766874085.db2.gz XGDLAAXDPBORMV-UHFFFAOYSA-N 0 3 305.338 0.898 20 5 DCBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001122182447 767734463 /nfs/dbraw/zinc/73/44/63/767734463.db2.gz VJHHAEOVCVCCEN-VWYCJHECSA-N 0 3 308.338 0.354 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccccn1 ZINC001154133313 770084571 /nfs/dbraw/zinc/08/45/71/770084571.db2.gz USMGMWUOGMQCON-UHFFFAOYSA-N 0 3 318.337 0.633 20 5 DCBDHN COc1ncnc(NCc2nnn3c2CNCCC3)c1[N+](=O)[O-] ZINC001155393935 770489923 /nfs/dbraw/zinc/48/99/23/770489923.db2.gz KENXIFZZYDROSK-UHFFFAOYSA-N 0 3 320.313 0.090 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)Cc1ccon1 ZINC001156001542 770683256 /nfs/dbraw/zinc/68/32/56/770683256.db2.gz STGXVVAKXFSYLC-UHFFFAOYSA-N 0 3 322.325 0.155 20 5 DCBDHN COc1nc(N2C[C@H]3CCCN(C)[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001157266829 771570947 /nfs/dbraw/zinc/57/09/47/771570947.db2.gz XUWFHFKABGSUJS-ZJUUUORDSA-N 0 3 323.353 0.932 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)CCN ZINC001164296819 772640399 /nfs/dbraw/zinc/64/03/99/772640399.db2.gz QRHVRURMFBOFJM-UHFFFAOYSA-N 0 3 317.323 0.106 20 5 DCBDHN CCN(CCNC(=O)c1nnc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267253041 939403587 /nfs/dbraw/zinc/40/35/87/939403587.db2.gz DKVYRCLZDUKKPM-UHFFFAOYSA-N 0 3 318.337 0.965 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCCCCN1CCN(C)CC1 ZINC001319864419 945682960 /nfs/dbraw/zinc/68/29/60/945682960.db2.gz VCXXJHMESNOEMA-UHFFFAOYSA-N 0 3 324.385 0.086 20 5 DCBDHN NC(=O)C1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479791 946400786 /nfs/dbraw/zinc/40/07/86/946400786.db2.gz LWEHLIHJPCZLKN-UHFFFAOYSA-N 0 3 304.350 0.981 20 5 DCBDHN CN(C)S(=O)(=O)CCN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576763 946410876 /nfs/dbraw/zinc/41/08/76/946410876.db2.gz YWZQXPYFBXFICS-GFCCVEGCSA-N 0 3 313.379 0.543 20 5 DCBDHN C[C@@H]1[C@@H](N(C)C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001327915854 948663556 /nfs/dbraw/zinc/66/35/56/948663556.db2.gz DVIALBYIZKDXFW-MNOVXSKESA-N 0 3 308.338 0.308 20 5 DCBDHN NC(=O)CC(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001316613783 951613229 /nfs/dbraw/zinc/61/32/29/951613229.db2.gz ZUJXRIBHTHZVAB-KLPPZKSPSA-N 0 3 320.349 0.455 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341098895 953209987 /nfs/dbraw/zinc/20/99/87/953209987.db2.gz WNNQVQXKOHRWAI-MJBXVCDLSA-N 0 3 305.334 0.803 20 5 DCBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC001347858122 954173664 /nfs/dbraw/zinc/17/36/64/954173664.db2.gz YLSMSCFRMCSPOQ-JTQLQIEISA-N 0 3 309.326 0.301 20 5 DCBDHN COC(=O)CNC(=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001308069156 960167941 /nfs/dbraw/zinc/16/79/41/960167941.db2.gz BPAIZUAJFWQRDX-SNVBAGLBSA-N 0 3 309.322 0.925 20 5 DCBDHN O=c1cc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc[nH]1 ZINC001474257841 1017008482 /nfs/dbraw/zinc/00/84/82/1017008482.db2.gz AQYGMIMGFVWPQA-UKRRQHHQSA-N 0 3 319.317 0.880 20 5 DCBDHN COc1cc(CNC[C@H]2CN(C)CCN2C)c([N+](=O)[O-])cc1O ZINC001461195481 1013013460 /nfs/dbraw/zinc/01/34/60/1013013460.db2.gz LYBJVDLWINDHOP-LBPRGKRZSA-N 0 3 324.381 0.644 20 5 DCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(n2cncn2)CC1 ZINC000159787552 291236556 /nfs/dbraw/zinc/23/65/56/291236556.db2.gz KAZWRHSEDHUYDX-UHFFFAOYSA-N 0 3 318.337 0.685 20 5 DCBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000420482742 240041159 /nfs/dbraw/zinc/04/11/59/240041159.db2.gz UYYCKZDTVIKGRD-JTQLQIEISA-N 0 3 315.351 0.170 20 5 DCBDHN Cc1ccc([C@H](C)NCC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000567375303 291351916 /nfs/dbraw/zinc/35/19/16/291351916.db2.gz ORIOLKXCCUPSQA-LBPRGKRZSA-N 0 3 306.366 0.986 20 5 DCBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000573054478 291607815 /nfs/dbraw/zinc/60/78/15/291607815.db2.gz LEEAPJOYBPOFMD-SWHYSGLUSA-N 0 3 322.365 0.529 20 5 DCBDHN COCCN(CCN(C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000104555578 194015007 /nfs/dbraw/zinc/01/50/07/194015007.db2.gz UOXZFJAHVWEFGI-UHFFFAOYSA-N 0 3 310.354 0.827 20 5 DCBDHN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCNCC1 ZINC000261856058 285156540 /nfs/dbraw/zinc/15/65/40/285156540.db2.gz XGIVJHWNSADHMS-UHFFFAOYSA-N 0 3 303.315 0.718 20 5 DCBDHN COC(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000346691006 254083677 /nfs/dbraw/zinc/08/36/77/254083677.db2.gz VJEBNONXMMGZNV-JQWIXIFHSA-N 0 3 309.322 0.640 20 5 DCBDHN CCN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118109735 395859928 /nfs/dbraw/zinc/85/99/28/395859928.db2.gz ZTNIYMLKQMAXSG-UHFFFAOYSA-N 0 3 308.338 0.910 20 5 DCBDHN CC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000130004545 395921102 /nfs/dbraw/zinc/92/11/02/395921102.db2.gz BUVUZKXJZACVJB-CYBMUJFWSA-N 0 3 320.349 0.617 20 5 DCBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000247273252 395970416 /nfs/dbraw/zinc/97/04/16/395970416.db2.gz FPJBDNORXHCRKP-DGCLKSJQSA-N 0 3 309.370 0.980 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000276972473 396040563 /nfs/dbraw/zinc/04/05/63/396040563.db2.gz AMDPKMZNILLSQQ-CQSZACIVSA-N 0 3 311.338 0.646 20 5 DCBDHN CNC(=O)[C@]1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280536104 396206546 /nfs/dbraw/zinc/20/65/46/396206546.db2.gz DDSIUNRTNKUAMP-CQSZACIVSA-N 0 3 308.338 0.215 20 5 DCBDHN C[C@@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000177096738 396166315 /nfs/dbraw/zinc/16/63/15/396166315.db2.gz QSJOCCXFAGIQRX-GHMZBOCLSA-N 0 3 307.354 0.923 20 5 DCBDHN O=C1NC(=O)C2(CCN(Cc3ccccc3[N+](=O)[O-])CC2)N1 ZINC000263947597 396245077 /nfs/dbraw/zinc/24/50/77/396245077.db2.gz CLIGKJLBGLRXSA-UHFFFAOYSA-N 0 3 304.306 0.769 20 5 DCBDHN CN(CCOCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000282280270 396277408 /nfs/dbraw/zinc/27/74/08/396277408.db2.gz DWBDMVHZIOADHU-ZDUSSCGKSA-N 0 3 314.338 0.275 20 5 DCBDHN CN(Cc1cccc(O)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000080918561 396288894 /nfs/dbraw/zinc/28/88/94/396288894.db2.gz ODPBMMBAJIBZLQ-CQSZACIVSA-N 0 3 306.322 0.990 20 5 DCBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000580789388 396500786 /nfs/dbraw/zinc/50/07/86/396500786.db2.gz SAEAZUKJNABCCY-OAHLLOKOSA-N 0 3 323.324 0.920 20 5 DCBDHN O=C1C[C@@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1 ZINC000595290064 396581209 /nfs/dbraw/zinc/58/12/09/396581209.db2.gz HDROICZISURNEC-GFCCVEGCSA-N 0 3 304.350 0.853 20 5 DCBDHN O=[N+]([O-])c1cnn(CCNCCS(=O)(=O)c2ccccc2)c1 ZINC000581721425 396577532 /nfs/dbraw/zinc/57/75/32/396577532.db2.gz VLQMBPWJELNRAJ-UHFFFAOYSA-N 0 3 324.362 0.855 20 5 DCBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(c2ccncc2)CC1 ZINC000585817489 396661138 /nfs/dbraw/zinc/66/11/38/396661138.db2.gz IBWTUORJBLGBDF-UHFFFAOYSA-N 0 3 302.294 0.675 20 5 DCBDHN COC(=O)[C@H]1C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067633 396714167 /nfs/dbraw/zinc/71/41/67/396714167.db2.gz OUEXOJMHUMVCMT-IJLUTSLNSA-N 0 3 324.333 0.876 20 5 DCBDHN O=C(CNC1CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315343593 396789024 /nfs/dbraw/zinc/78/90/24/396789024.db2.gz XJZMDLHFWKKSLX-UHFFFAOYSA-N 0 3 305.338 0.390 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(n3cccn3)CC2)c1 ZINC000304338273 396730476 /nfs/dbraw/zinc/73/04/76/396730476.db2.gz XNAPMGVHCWZZEX-CQSZACIVSA-N 0 3 320.353 0.686 20 5 DCBDHN O=C1CCC[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])N1 ZINC000591763688 396998610 /nfs/dbraw/zinc/99/86/10/396998610.db2.gz BNHQNIABXZFHGU-RYUDHWBXSA-N 0 3 323.349 0.593 20 5 DCBDHN CN1CC[C@](O)(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613014673 397179801 /nfs/dbraw/zinc/17/98/01/397179801.db2.gz UVJJEPPUKJMPAA-HNNXBMFYSA-N 0 3 323.349 0.522 20 5 DCBDHN CC(C)(CO)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592429520 397174041 /nfs/dbraw/zinc/17/40/41/397174041.db2.gz IAZBOGDWBQUJGY-UHFFFAOYSA-N 0 3 316.379 0.977 20 5 DCBDHN C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[NH2+]1 ZINC000599107098 397339363 /nfs/dbraw/zinc/33/93/63/397339363.db2.gz ZAVOXIUKIPYHGT-DTWKUNHWSA-N 0 3 300.340 0.409 20 5 DCBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC(CN2CCN(C)CC2)C1 ZINC000599108565 397340464 /nfs/dbraw/zinc/34/04/64/397340464.db2.gz NGHCHTZIMCINHK-UHFFFAOYSA-N 0 3 322.413 0.803 20 5 DCBDHN N[C@H]1C[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000578453812 397438850 /nfs/dbraw/zinc/43/88/50/397438850.db2.gz GUNDLTKVJWMVGV-RYUDHWBXSA-N 0 3 322.296 0.118 20 5 DCBDHN CCN[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602440802 397402866 /nfs/dbraw/zinc/40/28/66/397402866.db2.gz BHMKKOIUYZRUFK-NSHDSACASA-N 0 3 307.354 0.636 20 5 DCBDHN COc1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000579142397 397529814 /nfs/dbraw/zinc/52/98/14/397529814.db2.gz CLKQWKHKEJOPDK-WCBMZHEXSA-N 0 3 324.312 0.491 20 5 DCBDHN CCc1[nH]nc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936778 397544628 /nfs/dbraw/zinc/54/46/28/397544628.db2.gz BWJIKYCASUUSRR-ZJUUUORDSA-N 0 3 323.353 0.161 20 5 DCBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936778 397544633 /nfs/dbraw/zinc/54/46/33/397544633.db2.gz BWJIKYCASUUSRR-ZJUUUORDSA-N 0 3 323.353 0.161 20 5 DCBDHN CCc1noc(C)c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579824858 397593937 /nfs/dbraw/zinc/59/39/37/397593937.db2.gz XBRNHWZHXXMOKL-NSHDSACASA-N 0 3 309.326 0.801 20 5 DCBDHN Nc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000320727503 159010446 /nfs/dbraw/zinc/01/04/46/159010446.db2.gz DQSZZFURJZPPAW-RYUDHWBXSA-N 0 3 320.349 0.770 20 5 DCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)CN1CCN(C)CC1 ZINC000330558525 159193529 /nfs/dbraw/zinc/19/35/29/159193529.db2.gz XGCOZTCORZZEDT-LLVKDONJSA-N 0 3 309.370 0.536 20 5 DCBDHN CSC1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCN(C)CC1 ZINC000359268302 159258782 /nfs/dbraw/zinc/25/87/82/159258782.db2.gz XYJDLCHAKYBROZ-UHFFFAOYSA-N 0 3 313.383 0.875 20 5 DCBDHN CN1CCC[C@@]2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)C1 ZINC000356264849 415893045 /nfs/dbraw/zinc/89/30/45/415893045.db2.gz XBRWYEVYNSTMNN-CYBMUJFWSA-N 0 3 308.342 0.131 20 5 DCBDHN CCN1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000344760119 415983224 /nfs/dbraw/zinc/98/32/24/415983224.db2.gz OAEDIJJGAZBIPF-GFCCVEGCSA-N 0 3 323.397 0.926 20 5 DCBDHN CN(C)CCN(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000176812738 416134505 /nfs/dbraw/zinc/13/45/05/416134505.db2.gz XXVNFMAVYJFRMD-UHFFFAOYSA-N 0 3 318.337 0.809 20 5 DCBDHN CO[C@@H]1COC[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584349088 416514229 /nfs/dbraw/zinc/51/42/29/416514229.db2.gz BUVCWVQFJUCCNX-JTNHKYCSSA-N 0 3 312.322 0.338 20 5 DCBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CNCCO1 ZINC000423995090 416603257 /nfs/dbraw/zinc/60/32/57/416603257.db2.gz UGXHZZDJBKJBSS-NSHDSACASA-N 0 3 309.322 0.468 20 5 DCBDHN CCc1[nH]nc(C(=O)Nc2ccn(CCN(C)C)n2)c1[N+](=O)[O-] ZINC000362331780 416567058 /nfs/dbraw/zinc/56/70/58/416567058.db2.gz CXSQNGDCHXFLDW-UHFFFAOYSA-N 0 3 321.341 0.891 20 5 DCBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366432670 416625560 /nfs/dbraw/zinc/62/55/60/416625560.db2.gz HFMWZCXPKCATMH-WUHRBBMRSA-N 0 3 308.334 0.505 20 5 DCBDHN C[C@H]1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CN1C1CC1 ZINC000548092006 416685239 /nfs/dbraw/zinc/68/52/39/416685239.db2.gz USXOBNPOJAUOPD-IUCAKERBSA-N 0 3 305.338 0.927 20 5 DCBDHN COCCCN(C)CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548420426 416687987 /nfs/dbraw/zinc/68/79/87/416687987.db2.gz HKWVLVHEUSAONZ-UHFFFAOYSA-N 0 3 311.342 0.270 20 5 DCBDHN Cc1nn(CCC(=O)N2CCCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000368985239 416715465 /nfs/dbraw/zinc/71/54/65/416715465.db2.gz YXSZVUQHEYBASE-UHFFFAOYSA-N 0 3 309.370 0.962 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2c(c1)CNCC2 ZINC000429320505 416962812 /nfs/dbraw/zinc/96/28/12/416962812.db2.gz BKBWJVYEMUWHHP-UHFFFAOYSA-N 0 3 302.294 0.471 20 5 DCBDHN CC(C)(C)N1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000521755943 417026737 /nfs/dbraw/zinc/02/67/37/417026737.db2.gz UCGSDECGVGJCFD-UHFFFAOYSA-N 0 3 310.358 0.519 20 5 DCBDHN C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000566687445 417051177 /nfs/dbraw/zinc/05/11/77/417051177.db2.gz KAZQTWRCVPOVLO-SECBINFHSA-N 0 3 305.338 0.952 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN(CCO)[C@@H]2CCCSC2)c1 ZINC000433191067 417239349 /nfs/dbraw/zinc/23/93/49/417239349.db2.gz YLQZSBBOCXHVNI-LLVKDONJSA-N 0 3 300.384 0.981 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN(CCO)[C@H]2CCCSC2)c1 ZINC000433191069 417239541 /nfs/dbraw/zinc/23/95/41/417239541.db2.gz YLQZSBBOCXHVNI-NSHDSACASA-N 0 3 300.384 0.981 20 5 DCBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H]3COCCO3)C2)nc1 ZINC000450556808 417240839 /nfs/dbraw/zinc/24/08/39/417240839.db2.gz BDLOSZHEANVXKH-WCQYABFASA-N 0 3 308.338 0.891 20 5 DCBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@@H]21 ZINC000452111723 417455012 /nfs/dbraw/zinc/45/50/12/417455012.db2.gz VNFRUQUIFKBJAX-RWMBFGLXSA-N 0 3 310.354 0.509 20 5 DCBDHN CN1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000316675620 261175850 /nfs/dbraw/zinc/17/58/50/261175850.db2.gz HHICIRQNKNRILC-FWWRYZNZSA-N 0 3 304.350 0.709 20 5 DCBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354385537 261211912 /nfs/dbraw/zinc/21/19/12/261211912.db2.gz IMFARWSFGMJYHE-NSHDSACASA-N 0 3 309.370 0.679 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CO)c2cccc(F)c2)c1 ZINC000359626793 271134810 /nfs/dbraw/zinc/13/48/10/271134810.db2.gz RLWFQHFQHLXNTB-ZIAGYGMSSA-N 0 3 324.312 0.615 20 5 DCBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1COC[C@H]1O ZINC000453359460 271929304 /nfs/dbraw/zinc/92/93/04/271929304.db2.gz SRLDCFASOWBTCR-ZWKOPEQDSA-N 0 3 309.322 0.661 20 5 DCBDHN CN1CC[C@@](O)(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000492557672 272135420 /nfs/dbraw/zinc/13/54/20/272135420.db2.gz DBGKVTULNMSUIN-IJVDHGTGSA-N 0 3 305.334 0.791 20 5 DCBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000522273278 272550952 /nfs/dbraw/zinc/55/09/52/272550952.db2.gz OHOJFVNGRZCRPV-UHFFFAOYSA-N 0 3 309.370 0.253 20 5 DCBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3CN(C)C[C@H]3C2)n1 ZINC000287771419 274004670 /nfs/dbraw/zinc/00/46/70/274004670.db2.gz NTJYGOYZDLJNEW-AOOOYVTPSA-N 0 3 306.322 0.774 20 5 DCBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000352425290 277509478 /nfs/dbraw/zinc/50/94/78/277509478.db2.gz YBNDBLBESLZSDX-UHFFFAOYSA-N 0 3 311.342 0.222 20 5 DCBDHN CN(CCCN1CCN(C)CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548414065 288140798 /nfs/dbraw/zinc/14/07/98/288140798.db2.gz KRQAXSRFVCNFDD-UHFFFAOYSA-N 0 3 310.358 0.027 20 5 DCBDHN COC(=O)[C@@H](O)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582785934 337161846 /nfs/dbraw/zinc/16/18/46/337161846.db2.gz QRZOMYXATFTKKT-NSHDSACASA-N 0 3 311.294 0.047 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(C2CCCCC2)CC1 ZINC000154532412 527397069 /nfs/dbraw/zinc/39/70/69/527397069.db2.gz WACFRYGZFFVPNY-UHFFFAOYSA-N 0 3 322.369 0.663 20 5 DCBDHN CCc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000567109126 546294410 /nfs/dbraw/zinc/29/44/10/546294410.db2.gz UTNVDHBNLGRCTA-ZDUSSCGKSA-N 0 3 306.366 0.872 20 5 DCBDHN C[NH+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736764308 598601878 /nfs/dbraw/zinc/60/18/78/598601878.db2.gz OPMNXSAAPWHKAK-MRVPVSSYSA-N 0 3 304.314 0.310 20 5 DCBDHN C[NH+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736764308 598601880 /nfs/dbraw/zinc/60/18/80/598601880.db2.gz OPMNXSAAPWHKAK-MRVPVSSYSA-N 0 3 304.314 0.310 20 5 DCBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)CCO ZINC000925008094 661873680 /nfs/dbraw/zinc/87/36/80/661873680.db2.gz ALZNIDGMYJLDCJ-UHFFFAOYSA-N 0 3 310.354 0.315 20 5 DCBDHN CC(C)(CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)[N+](=O)[O-] ZINC000889751724 662031987 /nfs/dbraw/zinc/03/19/87/662031987.db2.gz RYFGEPAKMUAIPO-OLZOCXBDSA-N 0 3 313.398 0.880 20 5 DCBDHN CN(CCO)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000899725706 663181785 /nfs/dbraw/zinc/18/17/85/663181785.db2.gz CSRKMIVJXLBVQF-UHFFFAOYSA-N 0 3 301.730 0.902 20 5 DCBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)CCO)c1 ZINC000899727554 663182636 /nfs/dbraw/zinc/18/26/36/663182636.db2.gz DQOUUAGOVLQOIL-UHFFFAOYSA-N 0 3 313.379 0.971 20 5 DCBDHN Cc1cnc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000996429284 666791068 /nfs/dbraw/zinc/79/10/68/666791068.db2.gz NYPZWYHFPRLWQI-VXGBXAGGSA-N 0 3 308.338 0.729 20 5 DCBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000756817968 668101701 /nfs/dbraw/zinc/10/17/01/668101701.db2.gz JEYHYOJVSXJSNA-MNOVXSKESA-N 0 3 323.353 0.404 20 5 DCBDHN Cc1nn(C)c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874846274 668226161 /nfs/dbraw/zinc/22/61/61/668226161.db2.gz XQYWVTIWQYWREM-WDEREUQCSA-N 0 3 307.354 0.945 20 5 DCBDHN CN1CCCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000876805854 668514607 /nfs/dbraw/zinc/51/46/07/668514607.db2.gz GLWIDVBQYMEBFF-OAHLLOKOSA-N 0 3 306.366 0.933 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)C1CC1 ZINC000771803237 668752425 /nfs/dbraw/zinc/75/24/25/668752425.db2.gz AVPMLXNQNSBFIS-GFCCVEGCSA-N 0 3 309.322 0.902 20 5 DCBDHN Cn1cc(CN2CC[C@@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])n1 ZINC000934277054 669590248 /nfs/dbraw/zinc/59/02/48/669590248.db2.gz YEUZKZKGOQKBGN-CHWSQXEVSA-N 0 3 309.370 0.359 20 5 DCBDHN NC(=O)c1ccnc(NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000811782107 670548903 /nfs/dbraw/zinc/54/89/03/670548903.db2.gz GMROMKFQUVJJIQ-VHSXEESVSA-N 0 3 321.337 0.364 20 5 DCBDHN CC(COC(=O)CCN1C(=O)c2ccccc2C1=O)[N+](=O)[O-] ZINC000813104212 670611053 /nfs/dbraw/zinc/61/10/53/670611053.db2.gz YCFPSTQJPQHUAX-SECBINFHSA-N 0 3 306.274 0.881 20 5 DCBDHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104370 670611766 /nfs/dbraw/zinc/61/17/66/670611766.db2.gz ZGLAUIKJWRLKSR-WDEREUQCSA-N 0 3 322.383 0.789 20 5 DCBDHN CC(COC(=O)c1ccccc1OCC(=O)N(C)C)[N+](=O)[O-] ZINC000813106339 670611978 /nfs/dbraw/zinc/61/19/78/670611978.db2.gz BBZQNPRVAWICGD-SNVBAGLBSA-N 0 3 310.306 0.976 20 5 DCBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000817118359 670896865 /nfs/dbraw/zinc/89/68/65/670896865.db2.gz TXBHBPFKINABPR-GHMZBOCLSA-N 0 3 320.349 0.969 20 5 DCBDHN O=[N+]([O-])c1ccc(Cc2noc(C[C@@H]3CNCCO3)n2)nc1 ZINC000843191951 672069562 /nfs/dbraw/zinc/06/95/62/672069562.db2.gz PFIIAAVFGBYTDS-LLVKDONJSA-N 0 3 305.294 0.495 20 5 DCBDHN O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)C[C@@H]1CNCCO1 ZINC001574440766 1163726296 /nfs/dbraw/zinc/72/62/96/1163726296.db2.gz IICMAXJINJMAPE-QMMMGPOBSA-N 0 3 320.298 0.431 20 5 DCBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CNCCO1 ZINC001576251518 1164279505 /nfs/dbraw/zinc/27/95/05/1164279505.db2.gz MFFWIKNTXZPMNE-ZANVPECISA-N 0 3 305.338 0.938 20 5 DCBDHN C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001579226873 1165245133 /nfs/dbraw/zinc/24/51/33/1165245133.db2.gz GIJLXSVWDNSUNO-UHFFFAOYSA-N 0 3 307.314 0.111 20 5 DCBDHN C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001579226873 1165245138 /nfs/dbraw/zinc/24/51/38/1165245138.db2.gz GIJLXSVWDNSUNO-UHFFFAOYSA-N 0 3 307.314 0.111 20 5 DCBDHN C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001579226873 1165245146 /nfs/dbraw/zinc/24/51/46/1165245146.db2.gz GIJLXSVWDNSUNO-UHFFFAOYSA-N 0 3 307.314 0.111 20 5 DCBDHN C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001579226873 1165245154 /nfs/dbraw/zinc/24/51/54/1165245154.db2.gz GIJLXSVWDNSUNO-UHFFFAOYSA-N 0 3 307.314 0.111 20 5 DCBDHN O=C(OC1CNC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001580801660 1165720531 /nfs/dbraw/zinc/72/05/31/1165720531.db2.gz ZMIPOTJROHFZKV-UHFFFAOYSA-N 0 3 306.322 0.825 20 5 DCBDHN COc1cccc(C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCN2)c1 ZINC001586362809 1166493618 /nfs/dbraw/zinc/49/36/18/1166493618.db2.gz FVPHHDLWBSGWLI-BPLDGKMQSA-N 0 3 319.361 0.703 20 5 DCBDHN CN(C)CCN(C)C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001587281672 1166506538 /nfs/dbraw/zinc/50/65/38/1166506538.db2.gz HUJJDYODPXFLBF-UHFFFAOYSA-N 0 3 318.337 0.809 20 5 DCBDHN C[NH+](C)CC1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001604680020 1169653615 /nfs/dbraw/zinc/65/36/15/1169653615.db2.gz FVPBDYPMFXYXHC-UHFFFAOYSA-N 0 3 303.326 0.773 20 5 DCBDHN C[NH+](C)CC1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001604680020 1169653619 /nfs/dbraw/zinc/65/36/19/1169653619.db2.gz FVPBDYPMFXYXHC-UHFFFAOYSA-N 0 3 303.326 0.773 20 5 DCBDHN Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609405144 1170968365 /nfs/dbraw/zinc/96/83/65/1170968365.db2.gz XJXXSNINWYYTKI-NXEZZACHSA-N 0 3 315.337 0.739 20 5 DCBDHN Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609405144 1170968369 /nfs/dbraw/zinc/96/83/69/1170968369.db2.gz XJXXSNINWYYTKI-NXEZZACHSA-N 0 3 315.337 0.739 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001609602521 1171041158 /nfs/dbraw/zinc/04/11/58/1171041158.db2.gz RQNVUHQTYDFIDF-NXEZZACHSA-N 0 3 315.337 0.426 20 5 DCBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001609602521 1171041164 /nfs/dbraw/zinc/04/11/64/1171041164.db2.gz RQNVUHQTYDFIDF-NXEZZACHSA-N 0 3 315.337 0.426 20 5 DCBDHN CCN1CCN([C@@H](C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001628312309 1171524563 /nfs/dbraw/zinc/52/45/63/1171524563.db2.gz HLXJPCLFVXYIAD-JTQLQIEISA-N 0 3 310.358 0.074 20 5 DCBDHN COc1cc(C(=O)N[C@@H](CO)CN2CCCC2)ccc1[N+](=O)[O-] ZINC001636962204 1171754455 /nfs/dbraw/zinc/75/44/55/1171754455.db2.gz KHJHDFVIRBZQMD-GFCCVEGCSA-N 0 3 323.349 0.790 20 5 DCBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001637266343 1171761915 /nfs/dbraw/zinc/76/19/15/1171761915.db2.gz OFOARTAKMAVPMX-QWRGUYRKSA-N 0 3 305.338 0.881 20 5 DCBDHN Cc1nc(N(C)CCCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001642282444 1171941029 /nfs/dbraw/zinc/94/10/29/1171941029.db2.gz PWXLCSOJAMJCQL-UHFFFAOYSA-N 0 3 308.386 0.767 20 5 DCBDHN CCOC(=O)[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001654956914 1173813497 /nfs/dbraw/zinc/81/34/97/1173813497.db2.gz XUVJQOMPMAWMHH-CMPLNLGQSA-N 0 3 312.326 0.037 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3cnccn3)C2)c1 ZINC001655712532 1173826394 /nfs/dbraw/zinc/82/63/94/1173826394.db2.gz HJMVMCIWFGQPDK-DGCLKSJQSA-N 0 3 318.337 0.432 20 5 DCBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cnon1 ZINC001664260525 1174414733 /nfs/dbraw/zinc/41/47/33/1174414733.db2.gz ODTCXEUXCIKDIN-UHFFFAOYSA-N 0 3 305.294 0.840 20 5 DCBDHN COc1ncccc1CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732848776 1186011218 /nfs/dbraw/zinc/01/12/18/1186011218.db2.gz NPEZJAVRONAPHE-XCUNLHGCSA-N 0 3 320.349 0.517 20 5 DCBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cn[nH]c1 ZINC001733090195 1186132414 /nfs/dbraw/zinc/13/24/14/1186132414.db2.gz XWVBCPKMSINTCS-UHFFFAOYSA-N 0 3 321.341 0.303 20 5 DCBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001169013446 760544411 /nfs/dbraw/zinc/54/44/11/760544411.db2.gz VHHBWXQVFVMWBJ-NAKRPEOUSA-N 0 3 312.288 0.792 20 5 DCBDHN CN(CCNC(=O)CC[NH+](C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100299775 763471362 /nfs/dbraw/zinc/47/13/62/763471362.db2.gz XBBINLOZBQGWCK-UHFFFAOYSA-N 0 3 311.342 0.200 20 5 DCBDHN Cc1nn[nH]c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132209608 764302349 /nfs/dbraw/zinc/30/23/49/764302349.db2.gz IROKRGRQLFGPKH-UHFFFAOYSA-N 0 3 304.310 0.541 20 5 DCBDHN CCC(=O)NCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124872523 768319092 /nfs/dbraw/zinc/31/90/92/768319092.db2.gz IVUSGFMOGLKSAZ-UHFFFAOYSA-N 0 3 308.338 0.327 20 5 DCBDHN Cc1c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)nnn1C ZINC001125169479 768366505 /nfs/dbraw/zinc/36/65/05/768366505.db2.gz CINGWGBADQFPJJ-UHFFFAOYSA-N 0 3 318.337 0.551 20 5 DCBDHN CCCN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001093171314 768479537 /nfs/dbraw/zinc/47/95/37/768479537.db2.gz XQDSDPDBIXJUBX-UHFFFAOYSA-N 0 3 321.381 0.980 20 5 DCBDHN Cc1nc(NCc2nnn3c2CNCCC3)ncc1[N+](=O)[O-] ZINC001155399581 770491642 /nfs/dbraw/zinc/49/16/42/770491642.db2.gz BBSRNDIOJFCYRM-UHFFFAOYSA-N 0 3 304.314 0.390 20 5 DCBDHN CCOc1nc(N(C)S(=O)(=O)CCN)ccc1[N+](=O)[O-] ZINC001156239195 770760769 /nfs/dbraw/zinc/76/07/69/770760769.db2.gz RFSCOHITRRPCRL-UHFFFAOYSA-N 0 3 304.328 0.113 20 5 DCBDHN COC(=O)c1cnc(N[C@@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001159499665 771920279 /nfs/dbraw/zinc/92/02/79/771920279.db2.gz UORMEALZGIACEJ-KWQFWETISA-N 0 3 310.310 0.565 20 5 DCBDHN CN(C)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001262557656 947727039 /nfs/dbraw/zinc/72/70/39/947727039.db2.gz IICOKPUUZZLQDU-UHFFFAOYSA-N 0 3 301.368 0.520 20 5 DCBDHN Cn1c(C[N+](=O)[O-])nnc1N1CCC(CN2CCOCC2)CC1 ZINC001262864531 947777987 /nfs/dbraw/zinc/77/79/87/947777987.db2.gz JRKVNUCXJCAAHN-UHFFFAOYSA-N 0 3 324.385 0.140 20 5 DCBDHN C[C@H]1[C@H](N(C)C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001327915859 948663585 /nfs/dbraw/zinc/66/35/85/948663585.db2.gz DVIALBYIZKDXFW-WDEREUQCSA-N 0 3 308.338 0.308 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341098890 953210240 /nfs/dbraw/zinc/21/02/40/953210240.db2.gz WNNQVQXKOHRWAI-BFHYXJOUSA-N 0 3 305.334 0.803 20 5 DCBDHN CC(COC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)[N+](=O)[O-] ZINC001344808875 953536558 /nfs/dbraw/zinc/53/65/58/953536558.db2.gz VKRAVWMHTVPJNH-UTUOFQBUSA-N 0 3 302.327 0.075 20 5 DCBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001347857928 954174022 /nfs/dbraw/zinc/17/40/22/954174022.db2.gz VIFQQYNWPXZHPW-JTQLQIEISA-N 0 3 309.326 0.301 20 5 DCBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCN2CCCO)n1 ZINC001468318134 1016243923 /nfs/dbraw/zinc/24/39/23/1016243923.db2.gz YPIFPXYGGKTKEX-LBPRGKRZSA-N 0 3 322.365 0.875 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001442676076 1009608718 /nfs/dbraw/zinc/60/87/18/1009608718.db2.gz ZLDBBDDJHUIOBD-NEPJUHHUSA-N 0 3 323.353 0.079 20 5 DCBDHN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC(N[C@H]2CCOC2)C1 ZINC001558552274 1012367829 /nfs/dbraw/zinc/36/78/29/1012367829.db2.gz WLVASSFTHUZGGQ-FZMZJTMJSA-N 0 3 321.333 0.218 20 5 DCBDHN CC[C@H]1CN(CC)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835117 1012427368 /nfs/dbraw/zinc/42/73/68/1012427368.db2.gz AKLDROZSRBPYMP-JSGCOSHPSA-N 0 3 311.386 0.568 20 5 DCBDHN CCN1C[C@H](C)N(c2nnc(CCC[N+](=O)[O-])n2C)C[C@@H]1C ZINC001519565660 1017216643 /nfs/dbraw/zinc/21/66/43/1017216643.db2.gz CPBZKIRPKWLXES-RYUDHWBXSA-N 0 3 310.402 0.943 20 5 DCBDHN Cc1[nH]cnc1CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001478261408 1017334721 /nfs/dbraw/zinc/33/47/21/1017334721.db2.gz GLDZFCAOIQTSBF-UHFFFAOYSA-N 0 3 318.337 0.816 20 5 DCBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000286921814 219227028 /nfs/dbraw/zinc/22/70/28/219227028.db2.gz IMHSSKMEZWUCRX-JTQLQIEISA-N 0 3 318.337 0.855 20 5 DCBDHN CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174368544 198325830 /nfs/dbraw/zinc/32/58/30/198325830.db2.gz BQLXNCPMAFANHN-NWDGAFQWSA-N 0 3 300.384 0.980 20 5 DCBDHN CN1CC=C(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000271866375 209281367 /nfs/dbraw/zinc/28/13/67/209281367.db2.gz BDJWCFPPDCACBN-UHFFFAOYSA-N 0 3 306.322 0.135 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CO)CC(F)F)c1 ZINC000566231141 291285035 /nfs/dbraw/zinc/28/50/35/291285035.db2.gz LFSFWYINTXXYHB-MWLCHTKSSA-N 0 3 320.292 0.940 20 5 DCBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000572374789 291564850 /nfs/dbraw/zinc/56/48/50/291564850.db2.gz AEAHHUHSECMXER-KBPBESRZSA-N 0 3 322.365 0.448 20 5 DCBDHN CCN1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000110994322 194378101 /nfs/dbraw/zinc/37/81/01/194378101.db2.gz RZEFPHSDCDADCI-GFCCVEGCSA-N 0 3 322.365 0.747 20 5 DCBDHN CN1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000061031110 184160559 /nfs/dbraw/zinc/16/05/59/184160559.db2.gz HFIZHBWPCIFWSP-UHFFFAOYSA-N 0 3 320.349 0.535 20 5 DCBDHN CCN1CC[C@@H]2OCCN(Cc3c([N+](=O)[O-])ncn3C)[C@@H]2C1 ZINC000339385219 253076723 /nfs/dbraw/zinc/07/67/23/253076723.db2.gz NKFXJIPSDLQUPQ-YPMHNXCESA-N 0 3 309.370 0.623 20 5 DCBDHN COc1cc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000347552180 254167105 /nfs/dbraw/zinc/16/71/05/254167105.db2.gz GOKMCTRMSOOROJ-GWCFXTLKSA-N 0 3 321.337 0.907 20 5 DCBDHN Cc1nn(C)c(C(=O)NCCNc2ccncc2)c1[N+](=O)[O-] ZINC000347977091 254208630 /nfs/dbraw/zinc/20/86/30/254208630.db2.gz LGIRLYUSQUXMIJ-UHFFFAOYSA-N 0 3 304.310 0.296 20 5 DCBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000042076006 395742693 /nfs/dbraw/zinc/74/26/93/395742693.db2.gz WSFNDTRLEVORBY-UHFFFAOYSA-N 0 3 309.370 0.680 20 5 DCBDHN CCCCCN(CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272480762 395894098 /nfs/dbraw/zinc/89/40/98/395894098.db2.gz BAPAUEZUQBPCRY-LBPRGKRZSA-N 0 3 313.358 0.130 20 5 DCBDHN CN1CC[C@@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000272537033 395898174 /nfs/dbraw/zinc/89/81/74/395898174.db2.gz BPTIEYOUOFZOMT-YPMHNXCESA-N 0 3 307.354 0.734 20 5 DCBDHN C[NH+](C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000130229900 395922760 /nfs/dbraw/zinc/92/27/60/395922760.db2.gz YYGHKFIYKGOLCZ-UHFFFAOYSA-N 0 3 320.309 0.706 20 5 DCBDHN CN(C)CCn1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cn1 ZINC000061635072 395969415 /nfs/dbraw/zinc/96/94/15/395969415.db2.gz LQRXRKPBFVFSNF-UHFFFAOYSA-N 0 3 307.314 0.188 20 5 DCBDHN COCCN(CCN(C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264239612 396264752 /nfs/dbraw/zinc/26/47/52/396264752.db2.gz ZRDCNWAYTZSTEN-UHFFFAOYSA-N 0 3 313.358 0.218 20 5 DCBDHN CCN(CCO)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000183948038 396279305 /nfs/dbraw/zinc/27/93/05/396279305.db2.gz XSEGZLCXHWAWAG-UHFFFAOYSA-N 0 3 321.337 0.515 20 5 DCBDHN CCCCN(C)C[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000290862452 396474424 /nfs/dbraw/zinc/47/44/24/396474424.db2.gz IPYYIVRHXQVDBL-GFCCVEGCSA-N 0 3 324.381 0.993 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292245038 396539422 /nfs/dbraw/zinc/53/94/22/396539422.db2.gz OMECNYPGPCEFGT-AWEZNQCLSA-N 0 3 307.354 0.654 20 5 DCBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1n[nH]cc1[N+](=O)[O-] ZINC000584838656 396628549 /nfs/dbraw/zinc/62/85/49/396628549.db2.gz XWJMPSBDZLUESD-UHFFFAOYSA-N 0 3 317.309 0.375 20 5 DCBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588860138 396695682 /nfs/dbraw/zinc/69/56/82/396695682.db2.gz DXSONEYXJHTPMU-ZIAGYGMSSA-N 0 3 319.361 0.805 20 5 DCBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](CO)CN1CCCC1 ZINC000588869330 396696956 /nfs/dbraw/zinc/69/69/56/396696956.db2.gz MQKCHGDMXMAZPU-LBPRGKRZSA-N 0 3 323.349 0.547 20 5 DCBDHN CN(C)C[C@H](CO)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000588863784 396697297 /nfs/dbraw/zinc/69/72/97/396697297.db2.gz OLPVMXYGYWRWFN-SECBINFHSA-N 0 3 306.322 0.728 20 5 DCBDHN Cc1c(CC(=O)N2CCN(C)C[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000563101741 396702635 /nfs/dbraw/zinc/70/26/35/396702635.db2.gz LMZQTAZQFOQQJN-ZDUSSCGKSA-N 0 3 306.366 0.547 20 5 DCBDHN C[C@@](CO)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000322480695 396818781 /nfs/dbraw/zinc/81/87/81/396818781.db2.gz BQCKSFOBYXGLLO-CABCVRRESA-N 0 3 320.349 0.650 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cnn3ccccc23)c1 ZINC000570039361 396938687 /nfs/dbraw/zinc/93/86/87/396938687.db2.gz SAZIJDHTXWRDOQ-ZDUSSCGKSA-N 0 3 316.321 0.590 20 5 DCBDHN C[C@@H](C(=O)NC[C@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572461759 397060350 /nfs/dbraw/zinc/06/03/50/397060350.db2.gz ODOLPABVMALZSY-IAQYHMDHSA-N 0 3 307.350 0.881 20 5 DCBDHN CN(CC(=O)N1CCN(C)C[C@@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000573001719 397124462 /nfs/dbraw/zinc/12/44/62/397124462.db2.gz WFGCJYMDLVAOIJ-LBPRGKRZSA-N 0 3 321.381 0.132 20 5 DCBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612789047 397138374 /nfs/dbraw/zinc/13/83/74/397138374.db2.gz HMDLKFVORJQKBO-LBPRGKRZSA-N 0 3 320.353 0.303 20 5 DCBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601422255 397113602 /nfs/dbraw/zinc/11/36/02/397113602.db2.gz RJEYQUAPBPEFJV-NXEZZACHSA-N 0 3 314.367 0.703 20 5 DCBDHN O=C(NC[C@@H]1C[C@H](F)CN1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915786 397307862 /nfs/dbraw/zinc/30/78/62/397307862.db2.gz OTCZZCSHIRDAGX-WPRPVWTQSA-N 0 3 310.285 0.350 20 5 DCBDHN COC(=O)c1ccnc(N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000598632569 397264825 /nfs/dbraw/zinc/26/48/25/397264825.db2.gz GOJPGRITAKCYMG-GXSJLCMTSA-N 0 3 306.322 0.917 20 5 DCBDHN C[C@H](CO)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000593085816 397321914 /nfs/dbraw/zinc/32/19/14/397321914.db2.gz XQCBZHMJUFCBNF-RISCZKNCSA-N 0 3 312.370 0.493 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000369998407 397446248 /nfs/dbraw/zinc/44/62/48/397446248.db2.gz RVFXQXFFJWDIDM-UONOGXRCSA-N 0 3 309.370 0.322 20 5 DCBDHN O=C(CN1CCNCC1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000602455336 397406341 /nfs/dbraw/zinc/40/63/41/397406341.db2.gz WDZJKWWCTRRFOD-UHFFFAOYSA-N 0 3 320.393 0.939 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C[C@H](C)O)C[C@H]1C ZINC000602810615 397491223 /nfs/dbraw/zinc/49/12/23/397491223.db2.gz HFUREBDPJGOBEY-NEPJUHHUSA-N 0 3 311.386 0.487 20 5 DCBDHN COCCN(C)C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593962651 397487413 /nfs/dbraw/zinc/48/74/13/397487413.db2.gz VRQCXPRMTLOFRV-INIZCTEOSA-N 0 3 323.393 0.892 20 5 DCBDHN CN1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000579354829 397557366 /nfs/dbraw/zinc/55/73/66/397557366.db2.gz DTWAMEWAGHLKSY-NSHDSACASA-N 0 3 307.354 0.108 20 5 DCBDHN Cc1nn(C)cc1[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579746023 397591935 /nfs/dbraw/zinc/59/19/35/397591935.db2.gz JGSLWZLOTLOHIK-JOYOIKCWSA-N 0 3 308.342 0.545 20 5 DCBDHN CCc1noc(C)c1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579824857 397593918 /nfs/dbraw/zinc/59/39/18/397593918.db2.gz XBRNHWZHXXMOKL-LLVKDONJSA-N 0 3 309.326 0.801 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000610336521 397814540 /nfs/dbraw/zinc/81/45/40/397814540.db2.gz VCSOJKQIBAZLQL-OCCSQVGLSA-N 0 3 320.353 0.686 20 5 DCBDHN O=[N+]([O-])c1cnn(CCN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000610447937 397822219 /nfs/dbraw/zinc/82/22/19/397822219.db2.gz WGSGYZQKXCBRGB-OAHLLOKOSA-N 0 3 323.397 0.978 20 5 DCBDHN O=C(CCN1C[C@@H](O)C[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000186503283 158531971 /nfs/dbraw/zinc/53/19/71/158531971.db2.gz RSUHKHOMLUHFTN-STQMWFEESA-N 0 3 309.322 0.351 20 5 DCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000323071825 159012501 /nfs/dbraw/zinc/01/25/01/159012501.db2.gz ONDBGLYCFMFMQU-KOLCDFICSA-N 0 3 321.337 0.165 20 5 DCBDHN C[NH+](C)CCOC1CCN(C(=O)c2n[n-]cc2[N+](=O)[O-])CC1 ZINC000330508152 159183383 /nfs/dbraw/zinc/18/33/83/159183383.db2.gz AHVGAGPQTMBPRP-UHFFFAOYSA-N 0 3 311.342 0.501 20 5 DCBDHN CCN1C[C@H](C)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330588478 159198219 /nfs/dbraw/zinc/19/82/19/159198219.db2.gz UEDCRTRZWWYGCB-MBNYWOFBSA-N 0 3 311.386 0.567 20 5 DCBDHN Cc1c(NC(=O)CCN(C)[C@@H]2COC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000352820524 415336981 /nfs/dbraw/zinc/33/69/81/415336981.db2.gz YXZAFDBSSAJBGB-KGLIPLIRSA-N 0 3 323.349 0.923 20 5 DCBDHN C[C@H](O)CN(CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298509300 416012029 /nfs/dbraw/zinc/01/20/29/416012029.db2.gz KNRSOHYMEWYXAX-NSHDSACASA-N 0 3 311.338 0.599 20 5 DCBDHN CCN1CCN([C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000175212693 416099065 /nfs/dbraw/zinc/09/90/65/416099065.db2.gz DWTLZPBYTNAJNB-CQSZACIVSA-N 0 3 322.413 0.503 20 5 DCBDHN CN1CC[C@](O)(CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000358065165 416185212 /nfs/dbraw/zinc/18/52/12/416185212.db2.gz MSFRKOOIOVZSQW-AWEZNQCLSA-N 0 3 309.322 0.156 20 5 DCBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415392854 416341459 /nfs/dbraw/zinc/34/14/59/416341459.db2.gz YOCJCLOFXKKBIV-WCBMZHEXSA-N 0 3 309.326 0.646 20 5 DCBDHN C[C@@H]1CN(CCN(C)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000195306178 416325983 /nfs/dbraw/zinc/32/59/83/416325983.db2.gz KSIUKZXQUSMCAG-BETUJISGSA-N 0 3 311.386 0.832 20 5 DCBDHN COCCNCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000216077489 416327488 /nfs/dbraw/zinc/32/74/88/416327488.db2.gz SIEDGPZMEXFPAJ-UHFFFAOYSA-N 0 3 317.367 0.646 20 5 DCBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1N(C)C ZINC000360650149 416401251 /nfs/dbraw/zinc/40/12/51/416401251.db2.gz WYFZIDQHDHLRGF-ZJUUUORDSA-N 0 3 313.383 0.446 20 5 DCBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccnc(N)c1[N+](=O)[O-])C2 ZINC000597709728 416597440 /nfs/dbraw/zinc/59/74/40/416597440.db2.gz ANNPRQQBBWUGBH-HNNXBMFYSA-N 0 3 319.365 1.130 20 5 DCBDHN N[C@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000424068126 416609037 /nfs/dbraw/zinc/60/90/37/416609037.db2.gz ALEPBHPIPYTPJW-NSHDSACASA-N 0 3 301.306 0.708 20 5 DCBDHN COc1ccc(CC(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000514937539 416683850 /nfs/dbraw/zinc/68/38/50/416683850.db2.gz QAHGYKAWDPZFAD-LBPRGKRZSA-N 0 3 322.365 0.247 20 5 DCBDHN Nc1nccc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000548387060 416687758 /nfs/dbraw/zinc/68/77/58/416687758.db2.gz QHALKBWFLJZLRC-SNVBAGLBSA-N 0 3 305.338 0.882 20 5 DCBDHN N[C@H]1C[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000565239886 416955760 /nfs/dbraw/zinc/95/57/60/416955760.db2.gz NMWBLBPILRZDFH-NEPJUHHUSA-N 0 3 324.768 0.992 20 5 DCBDHN C[C@H]1CN(CCCNc2ncc([N+](=O)[O-])c(N)n2)CCCO1 ZINC000432872285 417209509 /nfs/dbraw/zinc/20/95/09/417209509.db2.gz LQFXYUXDWDLHJF-JTQLQIEISA-N 0 3 310.358 0.302 20 5 DCBDHN CN(C)CCOCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000527066272 417210797 /nfs/dbraw/zinc/21/07/97/417210797.db2.gz LBPHFLAOLFPAJK-UHFFFAOYSA-N 0 3 310.354 0.972 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000570606145 417370941 /nfs/dbraw/zinc/37/09/41/417370941.db2.gz DGANVSXYVNJKKM-KBPBESRZSA-N 0 3 323.349 0.740 20 5 DCBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452374574 417477732 /nfs/dbraw/zinc/47/77/32/417477732.db2.gz WZWVDBDVQUDZLL-JTQLQIEISA-N 0 3 323.353 0.149 20 5 DCBDHN C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1C1CCN(C)CC1 ZINC000354742286 261266087 /nfs/dbraw/zinc/26/60/87/261266087.db2.gz ZJQPNGHQWBOMIC-LBPRGKRZSA-N 0 3 322.413 0.933 20 5 DCBDHN O=C(NC[C@H]1CNCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418757736 262287471 /nfs/dbraw/zinc/28/74/71/262287471.db2.gz DYKVHUSFAGPSIW-CQSZACIVSA-N 0 3 320.349 0.651 20 5 DCBDHN CN1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C1 ZINC000368706538 277053866 /nfs/dbraw/zinc/05/38/66/277053866.db2.gz GDVKCBKLSIJCBB-GFCCVEGCSA-N 0 3 306.370 0.601 20 5 DCBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@]1(O)CN2CCC1CC2 ZINC000552208102 288268928 /nfs/dbraw/zinc/26/89/28/288268928.db2.gz DJNOSUCFUBBZKT-INIZCTEOSA-N 0 3 319.361 0.710 20 5 DCBDHN CC(C)C[C@H](CN)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562824489 288602332 /nfs/dbraw/zinc/60/23/32/288602332.db2.gz UZUZTVFWTWNPGQ-GFCCVEGCSA-N 0 3 322.365 0.701 20 5 DCBDHN CCc1[nH]cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[nH+]1 ZINC001657253628 1173909334 /nfs/dbraw/zinc/90/93/34/1173909334.db2.gz UZYYVERXULFLEQ-UHFFFAOYSA-N 0 3 311.323 0.754 20 5 DCBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccccc1 ZINC000266524039 523102501 /nfs/dbraw/zinc/10/25/01/523102501.db2.gz JVRVUVCOVYRQGU-GJZGRUSLSA-N 0 3 320.349 0.818 20 5 DCBDHN COC(=O)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266566842 523686301 /nfs/dbraw/zinc/68/63/01/523686301.db2.gz ZXAFYLSKSNGXPX-PWSUYJOCSA-N 0 3 312.326 0.037 20 5 DCBDHN CN(C)CCN(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000267864642 524059617 /nfs/dbraw/zinc/05/96/17/524059617.db2.gz ICBGHNYSWXAXAO-UHFFFAOYSA-N 0 3 309.322 0.806 20 5 DCBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000157392670 525931158 /nfs/dbraw/zinc/93/11/58/525931158.db2.gz KHUVBJZHGMDQMT-SNVBAGLBSA-N 0 3 315.351 0.170 20 5 DCBDHN N[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000237979893 527332432 /nfs/dbraw/zinc/33/24/32/527332432.db2.gz CSWOFZCPEUNNPX-ZDUSSCGKSA-N 0 3 303.322 0.998 20 5 DCBDHN CC(COC(=O)Cc1ccccc1S(C)(=O)=O)[N+](=O)[O-] ZINC000813103099 658713249 /nfs/dbraw/zinc/71/32/49/658713249.db2.gz NPEYNMWYQWLSSM-SECBINFHSA-N 0 3 301.320 0.841 20 5 DCBDHN CN1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(NC[C@@H]2CCN2C)n1 ZINC000895769207 662214016 /nfs/dbraw/zinc/21/40/16/662214016.db2.gz OENFVCUWEYKGPE-WDEREUQCSA-N 0 3 321.385 0.617 20 5 DCBDHN CN1CCN(C)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000897095918 662391400 /nfs/dbraw/zinc/39/14/00/662391400.db2.gz WYOSJAPXRNQJFW-UHFFFAOYSA-N 0 3 319.369 0.321 20 5 DCBDHN Cc1nn(CN2CC[C@H]3[C@@H]2CCCN3CCO)c(C)c1[N+](=O)[O-] ZINC000902645712 663425817 /nfs/dbraw/zinc/42/58/17/663425817.db2.gz YGWKIYSEGOOQDL-KBPBESRZSA-N 0 3 323.397 0.897 20 5 DCBDHN O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)N1CCNCC1 ZINC000903883768 663492674 /nfs/dbraw/zinc/49/26/74/663492674.db2.gz ZCALHLXNLYMBFE-UHFFFAOYSA-N 0 3 318.377 0.775 20 5 DCBDHN COc1cccc(C(=O)N(C)CCN(C)CCO)c1[N+](=O)[O-] ZINC000912604874 664192632 /nfs/dbraw/zinc/19/26/32/664192632.db2.gz UKLFYPHUDYHGQA-UHFFFAOYSA-N 0 3 311.338 0.600 20 5 DCBDHN O=C(NC1CN(CCCC2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292293 664504125 /nfs/dbraw/zinc/50/41/25/664504125.db2.gz BHKHZWCTBXOFTJ-ZIAGYGMSSA-N 0 3 311.382 0.659 20 5 DCBDHN O=C(NCC1CN(CCc2ccns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662530 665273953 /nfs/dbraw/zinc/27/39/53/665273953.db2.gz GLNZYPZDCCSFTE-VXGBXAGGSA-N 0 3 310.379 0.399 20 5 DCBDHN Cc1ccc(CNC[C@@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000922540281 666479505 /nfs/dbraw/zinc/47/95/05/666479505.db2.gz QOGCLNISOJEOOU-OAHLLOKOSA-N 0 3 309.366 0.686 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Cl)nc2)c1 ZINC000743261330 667805369 /nfs/dbraw/zinc/80/53/69/667805369.db2.gz DOKOEYMSDDAZGD-NSHDSACASA-N 0 3 311.729 0.990 20 5 DCBDHN Cc1nn(C)c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874846273 668226096 /nfs/dbraw/zinc/22/60/96/668226096.db2.gz XQYWVTIWQYWREM-QWRGUYRKSA-N 0 3 307.354 0.945 20 5 DCBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000930874166 669098627 /nfs/dbraw/zinc/09/86/27/669098627.db2.gz FDYQAOSOKPPRMJ-JQWIXIFHSA-N 0 3 305.338 0.888 20 5 DCBDHN CC(=O)N1C[C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]2C1 ZINC000880312255 669189852 /nfs/dbraw/zinc/18/98/52/669189852.db2.gz XAHLWBNKFADNAQ-BETUJISGSA-N 0 3 320.349 0.167 20 5 DCBDHN CO[C@@H]1COCC[C@@H]1N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000880433558 669210136 /nfs/dbraw/zinc/21/01/36/669210136.db2.gz OXSCHLPHMARBOS-QWHCGFSZSA-N 0 3 311.338 0.492 20 5 DCBDHN CN1CCN(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000933992876 669558983 /nfs/dbraw/zinc/55/89/83/669558983.db2.gz OUVWPKBVOZQJON-MRXNPFEDSA-N 0 3 322.409 0.807 20 5 DCBDHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103048 670610912 /nfs/dbraw/zinc/61/09/12/670610912.db2.gz MIZWRXQJYIWNLM-ZWNOBZJWSA-N 0 3 319.321 0.974 20 5 DCBDHN CC(COC(=O)[C@@H](C)Sc1nnnn1C1CC1)[N+](=O)[O-] ZINC000813102881 670611069 /nfs/dbraw/zinc/61/10/69/670611069.db2.gz KVRKGZMMXSMVBO-NKWVEPMBSA-N 0 3 301.328 0.697 20 5 DCBDHN Cc1ccc2c(c1)C(=O)N(CC(=O)OCC(C)[N+](=O)[O-])C2=O ZINC000813107450 670611927 /nfs/dbraw/zinc/61/19/27/670611927.db2.gz NPGAOBYTMZSLGU-VIFPVBQESA-N 0 3 306.274 0.799 20 5 DCBDHN CC(COC(=O)COCCNC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813111656 670612006 /nfs/dbraw/zinc/61/20/06/670612006.db2.gz VTHSOWHBKIXHIB-LLVKDONJSA-N 0 3 310.306 0.641 20 5 DCBDHN CC(COC(=O)CCn1nnc2ccccc2c1=O)[N+](=O)[O-] ZINC000813115560 670612788 /nfs/dbraw/zinc/61/27/88/670612788.db2.gz VGULDNBITOSKHV-VIFPVBQESA-N 0 3 306.278 0.390 20 5 DCBDHN O=C1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000819131867 671097365 /nfs/dbraw/zinc/09/73/65/671097365.db2.gz QLNJDGXZOBHOGS-SMDDNHRTSA-N 0 3 305.334 0.981 20 5 DCBDHN CC(C)(CCC(=O)N[C@@H]1CCCN(CCCO)C1)[N+](=O)[O-] ZINC000833574465 671748676 /nfs/dbraw/zinc/74/86/76/671748676.db2.gz DSHOBBNJWHKXNF-GFCCVEGCSA-N 0 3 301.387 0.785 20 5 DCBDHN CCOC(=O)C[C@@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843078229 672059562 /nfs/dbraw/zinc/05/95/62/672059562.db2.gz YEDQGLOMCKQJKD-AAEUAGOBSA-N 0 3 312.322 0.532 20 5 DCBDHN Cn1cncc1CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072721113 694656819 /nfs/dbraw/zinc/65/68/19/694656819.db2.gz DTISWIFPJKTQSG-CHWSQXEVSA-N 0 3 319.365 0.120 20 5 DCBDHN Cn1nccc1CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072721044 694656852 /nfs/dbraw/zinc/65/68/52/694656852.db2.gz AMQDOMMFPPBBBP-CHWSQXEVSA-N 0 3 319.365 0.120 20 5 DCBDHN C[C@H](CNC(=O)NC[C@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001576023571 1164215179 /nfs/dbraw/zinc/21/51/79/1164215179.db2.gz QGVRGNZWDLQLAC-VXGBXAGGSA-N 0 3 322.365 0.986 20 5 DCBDHN C[C@@]1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CNCCO1 ZINC001576510354 1164371957 /nfs/dbraw/zinc/37/19/57/1164371957.db2.gz VNFWSZXRUVDGIH-AWEZNQCLSA-N 0 3 311.313 0.771 20 5 DCBDHN CN1C[C@@H]2CCN(C(=O)[C@](C)(N)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001578523545 1165042747 /nfs/dbraw/zinc/04/27/47/1165042747.db2.gz MNAINYPOYLVXQC-SGIREYDYSA-N 0 3 318.377 0.931 20 5 DCBDHN COc1cc(C(=O)N[C@H]2COC3(CNC3)C2)cc([N+](=O)[O-])c1C ZINC001579141500 1165222828 /nfs/dbraw/zinc/22/28/28/1165222828.db2.gz QWCLKGIUCYZRBY-LLVKDONJSA-N 0 3 321.333 0.773 20 5 DCBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCN1C1CCOCC1 ZINC001585180527 1166408966 /nfs/dbraw/zinc/40/89/66/1166408966.db2.gz IYKKBRIFXUHWPD-GFCCVEGCSA-N 0 3 323.353 0.161 20 5 DCBDHN CN1CCC(N(CCO)C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC001627874211 1171514495 /nfs/dbraw/zinc/51/44/95/1171514495.db2.gz NTPVRORRRALOLO-UHFFFAOYSA-N 0 3 323.353 0.101 20 5 DCBDHN COC(=O)c1ccnc(NC[C@H]2CSCCN2)c1[N+](=O)[O-] ZINC001640350576 1171878084 /nfs/dbraw/zinc/87/80/84/1171878084.db2.gz KDNPIMLBMOFRHL-QMMMGPOBSA-N 0 3 312.351 0.893 20 5 DCBDHN O=C(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)NCCN1CCCCC1 ZINC001640694682 1171890052 /nfs/dbraw/zinc/89/00/52/1171890052.db2.gz GTWRKJSRPJYXOR-UHFFFAOYSA-N 0 3 323.353 0.255 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001647773645 1173055305 /nfs/dbraw/zinc/05/53/05/1173055305.db2.gz ZGTIOFAVVYAEJQ-JTQLQIEISA-N 0 3 321.333 0.806 20 5 DCBDHN CC[C@H](C)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001654461525 1173804618 /nfs/dbraw/zinc/80/46/18/1173804618.db2.gz NXTXVBWWVVGGBE-JSGCOSHPSA-N 0 3 311.386 0.568 20 5 DCBDHN O=C(CCN1CC[C@H](O)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654751545 1173811166 /nfs/dbraw/zinc/81/11/66/1173811166.db2.gz GYTXXNIGLPBRCI-FZMZJTMJSA-N 0 3 323.349 0.599 20 5 DCBDHN CNS(=O)(=O)c1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC001122968467 767904500 /nfs/dbraw/zinc/90/45/00/767904500.db2.gz PCGZJVKVPPDCKV-SECBINFHSA-N 0 3 316.335 0.346 20 5 DCBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cccnn1 ZINC001135637341 766017822 /nfs/dbraw/zinc/01/78/22/766017822.db2.gz KUZKHBPJKLHWNM-UHFFFAOYSA-N 0 3 301.306 0.904 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccco1 ZINC001154211238 770111821 /nfs/dbraw/zinc/11/18/21/770111821.db2.gz FBDURNLKKGFMJE-UHFFFAOYSA-N 0 3 307.310 0.831 20 5 DCBDHN Cc1cc([N+](=O)[O-])cnc1NCc1nnn2c1CNCCC2 ZINC001155391328 770489013 /nfs/dbraw/zinc/48/90/13/770489013.db2.gz YOOMSTIBQNCXFP-UHFFFAOYSA-N 0 3 303.326 0.995 20 5 DCBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)/C=C\C1CC1 ZINC001156166009 770737210 /nfs/dbraw/zinc/73/72/10/770737210.db2.gz RGFCZNSOOHKLRM-WAYWQWQTSA-N 0 3 307.354 0.890 20 5 DCBDHN COc1c([O-])ccc(C[NH2+]CC2(O)CCOCC2)c1[N+](=O)[O-] ZINC001180995841 771213448 /nfs/dbraw/zinc/21/34/48/771213448.db2.gz NEYJZHCPIKHTLN-UHFFFAOYSA-N 0 3 312.322 0.940 20 5 DCBDHN COc1c(O)ccc(CNCC2(O)CCOCC2)c1[N+](=O)[O-] ZINC001180995841 771213451 /nfs/dbraw/zinc/21/34/51/771213451.db2.gz NEYJZHCPIKHTLN-UHFFFAOYSA-N 0 3 312.322 0.940 20 5 DCBDHN Cn1cc(NCCCN2CCN(C)CC2)cc([N+](=O)[O-])c1=O ZINC001161705098 772268750 /nfs/dbraw/zinc/26/87/50/772268750.db2.gz CLOBFDBHAXSBQI-UHFFFAOYSA-N 0 3 309.370 0.343 20 5 DCBDHN CCN(CC)CCNC(=N)Nc1ncnc(OC)c1[N+](=O)[O-] ZINC001163126915 772468754 /nfs/dbraw/zinc/46/87/54/772468754.db2.gz VPAHIJPAUFKYRN-UHFFFAOYSA-N 0 3 311.346 0.671 20 5 DCBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1cnc2c1CNCC2 ZINC001164316338 772645429 /nfs/dbraw/zinc/64/54/29/772645429.db2.gz JQASIVWYYSCHEQ-UHFFFAOYSA-N 0 3 317.305 0.998 20 5 DCBDHN CC(C)(O)C[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001191763501 772815251 /nfs/dbraw/zinc/81/52/51/772815251.db2.gz JZIAVZHXWMMJDJ-YPMHNXCESA-N 0 3 324.381 0.998 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(COC(=O)N2)CC1 ZINC001168383397 942507861 /nfs/dbraw/zinc/50/78/61/942507861.db2.gz TUOBHUBTNIKUMV-UHFFFAOYSA-N 0 3 309.326 0.674 20 5 DCBDHN COC(=O)[C@@H]1CNCCN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246862902 945508394 /nfs/dbraw/zinc/50/83/94/945508394.db2.gz FDYQWFCELGUZKS-RISCZKNCSA-N 0 3 307.350 0.973 20 5 DCBDHN CC(C)(C)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001319180873 945514076 /nfs/dbraw/zinc/51/40/76/945514076.db2.gz CKJQSGNXDADOMT-ZDUSSCGKSA-N 0 3 311.386 0.568 20 5 DCBDHN CCOC(=O)CNC(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537772 946407766 /nfs/dbraw/zinc/40/77/66/946407766.db2.gz HMQIDCAILAOTLZ-NSHDSACASA-N 0 3 323.349 0.795 20 5 DCBDHN Cc1nn(C)c(C(=O)NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC001324254394 947366992 /nfs/dbraw/zinc/36/69/92/947366992.db2.gz BJYCEDWWROCEIF-UHFFFAOYSA-N 0 3 324.385 0.004 20 5 DCBDHN Cc1cnc(CN(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001273507609 947932781 /nfs/dbraw/zinc/93/27/81/947932781.db2.gz GZBBSRGLMSOUBG-ZIAGYGMSSA-N 0 3 321.381 0.731 20 5 DCBDHN O=C(NC[C@@H]1CNCCO1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341098892 953210643 /nfs/dbraw/zinc/21/06/43/953210643.db2.gz WNNQVQXKOHRWAI-IHRRRGAJSA-N 0 3 305.334 0.803 20 5 DCBDHN CCOC(=O)[C@@H]1CNCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001346016779 953786289 /nfs/dbraw/zinc/78/62/89/953786289.db2.gz FWZSRVFOGLFMDO-AWEZNQCLSA-N 0 3 323.349 0.811 20 5 DCBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001292993540 957226105 /nfs/dbraw/zinc/22/61/05/957226105.db2.gz QMJYEPXYOMTDLW-UHFFFAOYSA-N 0 3 321.381 0.544 20 5 DCBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CC(N[C@H]2CCOC2)C1 ZINC001304085247 960076550 /nfs/dbraw/zinc/07/65/50/960076550.db2.gz SPIJYAYQRGKNSE-NSHDSACASA-N 0 3 321.333 0.563 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]1CO ZINC001308103205 960167774 /nfs/dbraw/zinc/16/77/74/960167774.db2.gz DSZBTYJFOUZKND-NSHDSACASA-N 0 3 309.322 0.999 20 5 DCBDHN CN1CCN(C(=O)CCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001308250120 960172079 /nfs/dbraw/zinc/17/20/79/960172079.db2.gz BKFZWDBEXVVHME-UHFFFAOYSA-N 0 3 306.366 0.849 20 5 DCBDHN CN1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001311240602 960247774 /nfs/dbraw/zinc/24/77/74/960247774.db2.gz FYHMJKHJJFZKAN-JTQLQIEISA-N 0 3 321.337 0.909 20 5 DCBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCN1CCCO ZINC001468316454 1016243412 /nfs/dbraw/zinc/24/34/12/1016243412.db2.gz LWMAHNMCELSSMQ-GFCCVEGCSA-N 0 3 322.365 0.754 20 5 DCBDHN Nc1c(C(=O)N2CC(N[C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001472080640 1016719686 /nfs/dbraw/zinc/71/96/86/1016719686.db2.gz VAIFOXBDMDJUKL-VIFPVBQESA-N 0 3 306.322 0.380 20 5 DCBDHN COC(=O)Cc1ccc(NCCN(C)CCO)c([N+](=O)[O-])c1 ZINC001612894274 1171364285 /nfs/dbraw/zinc/36/42/85/1171364285.db2.gz OPZOTCPHOLSPRR-UHFFFAOYSA-N 0 3 311.338 0.646 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000153488660 282142088 /nfs/dbraw/zinc/14/20/88/282142088.db2.gz AANUBZVGOXKRMT-OAHLLOKOSA-N 0 3 324.381 0.460 20 5 DCBDHN CN(C)C[C@](C)(O)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000153012229 237012830 /nfs/dbraw/zinc/01/28/30/237012830.db2.gz UOWLFHNQLVDLNO-CQSZACIVSA-N 0 3 311.338 0.402 20 5 DCBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CO)CC(F)F)c1 ZINC000566231139 291284836 /nfs/dbraw/zinc/28/48/36/291284836.db2.gz LFSFWYINTXXYHB-GXSJLCMTSA-N 0 3 320.292 0.940 20 5 DCBDHN N[C@@H]1C[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496171 291308695 /nfs/dbraw/zinc/30/86/95/291308695.db2.gz PFBAHRYNBOLLFD-VXGBXAGGSA-N 0 3 320.349 0.217 20 5 DCBDHN CCN(C)C(=O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571672479 291527039 /nfs/dbraw/zinc/52/70/39/291527039.db2.gz SSZNGZNGWFIWFT-LBPRGKRZSA-N 0 3 311.338 0.402 20 5 DCBDHN COC(=O)CNC(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282530008 217065537 /nfs/dbraw/zinc/06/55/37/217065537.db2.gz UZAUTGGQDJHFHU-UHFFFAOYSA-N 0 3 323.349 0.748 20 5 DCBDHN CN1CCC(CCO)(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000346471855 254055662 /nfs/dbraw/zinc/05/56/62/254055662.db2.gz DFOXHVBTPNGSLL-UHFFFAOYSA-N 0 3 322.365 0.754 20 5 DCBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000346695070 254083853 /nfs/dbraw/zinc/08/38/53/254083853.db2.gz YCVXWFFGKMNFEE-MVWJERBFSA-N 0 3 312.326 0.036 20 5 DCBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCOCCN(C)C)c1 ZINC000349726633 254294798 /nfs/dbraw/zinc/29/47/98/254294798.db2.gz CUDQYKKSKOOURZ-UHFFFAOYSA-N 0 3 311.338 0.911 20 5 DCBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330732448 533389862 /nfs/dbraw/zinc/38/98/62/533389862.db2.gz JNHOCNUKKIPSAT-JTQLQIEISA-N 0 3 310.358 0.375 20 5 DCBDHN C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000275469622 130324170 /nfs/dbraw/zinc/32/41/70/130324170.db2.gz RGKUYJZPNGIUGF-JTQLQIEISA-N 0 3 310.354 0.840 20 5 DCBDHN C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000275469622 130324175 /nfs/dbraw/zinc/32/41/75/130324175.db2.gz RGKUYJZPNGIUGF-JTQLQIEISA-N 0 3 310.354 0.840 20 5 DCBDHN CC(C)N(CCOCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000283655941 131010930 /nfs/dbraw/zinc/01/09/30/131010930.db2.gz DPACSFJNPXTKHL-UHFFFAOYSA-N 0 3 313.354 0.476 20 5 DCBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCNCC1 ZINC000037465216 395727637 /nfs/dbraw/zinc/72/76/37/395727637.db2.gz XVPLNEJVQFOTMF-UHFFFAOYSA-N 0 3 315.351 0.587 20 5 DCBDHN C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(C)C ZINC000067136501 396021250 /nfs/dbraw/zinc/02/12/50/396021250.db2.gz KZSUMPYONMTNCC-JTQLQIEISA-N 0 3 318.337 0.855 20 5 DCBDHN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1NCCc2ccccc21 ZINC000262406966 396136626 /nfs/dbraw/zinc/13/66/26/396136626.db2.gz QERKTICWWWSXJB-LBPRGKRZSA-N 0 3 316.321 0.190 20 5 DCBDHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000261885635 396076042 /nfs/dbraw/zinc/07/60/42/396076042.db2.gz NCSSRUUOSAZRFU-HZMBPMFUSA-N 0 3 322.365 0.872 20 5 DCBDHN CNC(=O)[C@@]1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280536099 396206470 /nfs/dbraw/zinc/20/64/70/396206470.db2.gz DDSIUNRTNKUAMP-AWEZNQCLSA-N 0 3 308.338 0.215 20 5 DCBDHN COCCN1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000264469759 396282851 /nfs/dbraw/zinc/28/28/51/396282851.db2.gz GCKKKIVCHMFSKE-NSHDSACASA-N 0 3 311.342 0.018 20 5 DCBDHN Cc1n[n-]c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265730502 396340281 /nfs/dbraw/zinc/34/02/81/396340281.db2.gz QOCLNOKKDBLVLK-VIFPVBQESA-N 0 3 311.342 0.324 20 5 DCBDHN C[C@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCO1 ZINC000286422383 396394827 /nfs/dbraw/zinc/39/48/27/396394827.db2.gz GJXXGOBNAIQUKF-JTQLQIEISA-N 0 3 311.342 0.549 20 5 DCBDHN O=C1C[C@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CN1 ZINC000595289974 396580911 /nfs/dbraw/zinc/58/09/11/396580911.db2.gz ILMDJZCEEHDZKS-LBPRGKRZSA-N 0 3 304.350 0.853 20 5 DCBDHN Cc1cccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000588873816 396697165 /nfs/dbraw/zinc/69/71/65/396697165.db2.gz QHPIVKOGGUEWCE-NSHDSACASA-N 0 3 322.365 0.699 20 5 DCBDHN COC(=O)c1cc(C)nc(N2CC[C@@H](F)[C@H](N)C2)c1[N+](=O)[O-] ZINC000596032164 396710417 /nfs/dbraw/zinc/71/04/17/396710417.db2.gz HSLFDMMLNWGVAH-NXEZZACHSA-N 0 3 312.301 0.960 20 5 DCBDHN O=c1[nH]ccc(N2CCN(C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596153346 396724966 /nfs/dbraw/zinc/72/49/66/396724966.db2.gz YMMKQCWKRQUSBJ-LLVKDONJSA-N 0 3 308.338 0.854 20 5 DCBDHN C[C@@H](CO)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612030348 396983921 /nfs/dbraw/zinc/98/39/21/396983921.db2.gz GJCSVVYZEZSLEH-SNVBAGLBSA-N 0 3 302.352 0.587 20 5 DCBDHN CN(C)[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000572778824 397093686 /nfs/dbraw/zinc/09/36/86/397093686.db2.gz VWVAHUCMQXZZKP-STQMWFEESA-N 0 3 305.338 0.578 20 5 DCBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000619578239 397152938 /nfs/dbraw/zinc/15/29/38/397152938.db2.gz DPPGMXPYBLSRSS-GFCCVEGCSA-N 0 3 322.365 0.699 20 5 DCBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCNCC1 ZINC000592365581 397160347 /nfs/dbraw/zinc/16/03/47/397160347.db2.gz DSGWJQGJAKGQMK-UHFFFAOYSA-N 0 3 315.351 0.587 20 5 DCBDHN CN1CCN(CC2CN(c3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000599109924 397340065 /nfs/dbraw/zinc/34/00/65/397340065.db2.gz XWZQTHHEHKABML-UHFFFAOYSA-N 0 3 309.345 0.813 20 5 DCBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CC[C@@H](O)C1 ZINC000599175687 397353321 /nfs/dbraw/zinc/35/33/21/397353321.db2.gz HXHGAJCVDNXHSR-LLVKDONJSA-N 0 3 308.338 0.433 20 5 DCBDHN Nc1nc(N)nc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000599060587 397328925 /nfs/dbraw/zinc/32/89/25/397328925.db2.gz YRCFVHQKEOZSLE-UHFFFAOYSA-N 0 3 301.310 0.774 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000602828575 397495998 /nfs/dbraw/zinc/49/59/98/397495998.db2.gz HIBBBYLZSDDKJJ-JSGCOSHPSA-N 0 3 323.397 0.895 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](N2CCOCC2)C[C@H]1C ZINC000602828579 397496552 /nfs/dbraw/zinc/49/65/52/397496552.db2.gz HIBBBYLZSDDKJJ-TZMCWYRMSA-N 0 3 323.397 0.895 20 5 DCBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCOCCO)C1CCC1 ZINC000602885918 397512272 /nfs/dbraw/zinc/51/22/72/397512272.db2.gz ZVEOMSCWKBSGOB-UHFFFAOYSA-N 0 3 312.370 0.963 20 5 DCBDHN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496002143 397567851 /nfs/dbraw/zinc/56/78/51/397567851.db2.gz NQFYNQBFPPRGLO-IUCAKERBSA-N 0 3 306.315 0.735 20 5 DCBDHN CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602904678 397519225 /nfs/dbraw/zinc/51/92/25/397519225.db2.gz JPMXOONQHOPLCL-CQSZACIVSA-N 0 3 309.366 0.972 20 5 DCBDHN CSC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602920485 397523465 /nfs/dbraw/zinc/52/34/65/397523465.db2.gz OTUMQPVJZPWPCJ-NSHDSACASA-N 0 3 300.384 0.980 20 5 DCBDHN CCN(CCN)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599887580 397534660 /nfs/dbraw/zinc/53/46/60/397534660.db2.gz ILCUSSYGCNYRFM-UHFFFAOYSA-N 0 3 314.729 0.994 20 5 DCBDHN Cc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000579972669 397601958 /nfs/dbraw/zinc/60/19/58/397601958.db2.gz FTLDTMASHCWBCK-NWDGAFQWSA-N 0 3 318.333 0.287 20 5 DCBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000408054602 160024509 /nfs/dbraw/zinc/02/45/09/160024509.db2.gz SWKFCNUJDNSPNT-GHMZBOCLSA-N 0 3 307.354 0.885 20 5 DCBDHN Cc1nn(C)c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268189733 415172829 /nfs/dbraw/zinc/17/28/29/415172829.db2.gz MVNJQPPWAJUJEL-KCJUWKMLSA-N 0 3 307.354 0.849 20 5 DCBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1COC[C@@H]1O ZINC000352805146 415330613 /nfs/dbraw/zinc/33/06/13/415330613.db2.gz RCZJJTHHKAQHAO-KBPBESRZSA-N 0 3 323.349 0.923 20 5 DCBDHN C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@@H]1C ZINC000343066959 415431043 /nfs/dbraw/zinc/43/10/43/415431043.db2.gz JJQMFCIGMRRLEM-WDEREUQCSA-N 0 3 310.358 0.565 20 5 DCBDHN COC[C@H](CO)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353620121 415606624 /nfs/dbraw/zinc/60/66/24/415606624.db2.gz ICRPHRFZCGCITJ-PWSUYJOCSA-N 0 3 311.338 0.909 20 5 DCBDHN [NH3+][C@@H]1CCc2nc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000343858588 415755494 /nfs/dbraw/zinc/75/54/94/415755494.db2.gz NSJPZRXQOMWREL-RXMQYKEDSA-N 0 3 308.323 0.843 20 5 DCBDHN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCCN(CCCO)C1 ZINC000297820781 415976222 /nfs/dbraw/zinc/97/62/22/415976222.db2.gz QNCQDQVPAZIDAN-NSHDSACASA-N 0 3 323.353 0.958 20 5 DCBDHN CCN(CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356796439 415988924 /nfs/dbraw/zinc/98/89/24/415988924.db2.gz OZOLWSRRXAHZJE-UHFFFAOYSA-N 0 3 311.338 0.647 20 5 DCBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)CN1CCN(C)CC1 ZINC000298970055 416041604 /nfs/dbraw/zinc/04/16/04/416041604.db2.gz DHPOODHIBVKAAF-NSHDSACASA-N 0 3 309.370 0.536 20 5 DCBDHN CNC(=O)NC(=O)C(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000338227393 416061923 /nfs/dbraw/zinc/06/19/23/416061923.db2.gz UPOFZWYEGNKMKG-SSDOTTSWSA-N 0 3 315.307 0.213 20 5 DCBDHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000298591726 416016504 /nfs/dbraw/zinc/01/65/04/416016504.db2.gz GATLCFUAYOHJTP-JTQLQIEISA-N 0 3 308.338 0.908 20 5 DCBDHN C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H](C)C1 ZINC000357892258 416148572 /nfs/dbraw/zinc/14/85/72/416148572.db2.gz RPTZRABQFMJWRA-MNOVXSKESA-N 0 3 310.358 0.423 20 5 DCBDHN CC(C)c1n[nH]c(C(=O)NC[C@]2(O)CCN(C)C2)c1[N+](=O)[O-] ZINC000358066873 416185816 /nfs/dbraw/zinc/18/58/16/416185816.db2.gz NIWMEHZTHAEBRP-CYBMUJFWSA-N 0 3 311.342 0.238 20 5 DCBDHN CN(CCCN1CCN(C)CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000182965181 416234398 /nfs/dbraw/zinc/23/43/98/416234398.db2.gz UPOWUFZFHSLOTL-UHFFFAOYSA-N 0 3 310.402 0.361 20 5 DCBDHN CCS(=O)(=O)N1CC(CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000190292413 416278504 /nfs/dbraw/zinc/27/85/04/416278504.db2.gz SEFZNVNJXFZVQF-UHFFFAOYSA-N 0 3 313.379 0.966 20 5 DCBDHN CCCCN(C)CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000563896338 416887045 /nfs/dbraw/zinc/88/70/45/416887045.db2.gz HADCTWFLGRQVNA-UHFFFAOYSA-N 0 3 309.370 1.493 20 5 DCBDHN CCN(C)C(=O)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000518172368 416838979 /nfs/dbraw/zinc/83/89/79/416838979.db2.gz VMTCIEFCGZTSQB-NSHDSACASA-N 0 3 311.338 0.402 20 5 DCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]1CNCCO1 ZINC000429979305 417008747 /nfs/dbraw/zinc/00/87/47/417008747.db2.gz YQFYCNRRCJXSBP-GFCCVEGCSA-N 0 3 309.322 0.598 20 5 DCBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)N1CCNCC1 ZINC000430605285 287346519 /nfs/dbraw/zinc/34/65/19/287346519.db2.gz SBMQLXJEGUAAGL-UHFFFAOYSA-N 0 3 322.365 0.337 20 5 DCBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525129216 417124379 /nfs/dbraw/zinc/12/43/79/417124379.db2.gz PZUSHHFKTBUUAN-JTQLQIEISA-N 0 3 314.367 0.705 20 5 DCBDHN Nc1c(C(=O)N[C@H]2CNCCC2(F)F)cccc1[N+](=O)[O-] ZINC000449661992 417159812 /nfs/dbraw/zinc/15/98/12/417159812.db2.gz KAZHMEOCEWVBPU-VIFPVBQESA-N 0 3 300.265 0.904 20 5 DCBDHN Cc1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000569021051 417206336 /nfs/dbraw/zinc/20/63/36/417206336.db2.gz NCUUPHDNZTWPTB-CMPLNLGQSA-N 0 3 318.333 0.287 20 5 DCBDHN NC(=O)c1ccc(NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000450594798 417244245 /nfs/dbraw/zinc/24/42/45/417244245.db2.gz KVUUPLHKMCEKSW-GFCCVEGCSA-N 0 3 322.365 0.952 20 5 DCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000576220122 417590942 /nfs/dbraw/zinc/59/09/42/417590942.db2.gz DGLFLEGXYKUWPW-NWDGAFQWSA-N 0 3 306.326 0.543 20 5 DCBDHN CN(C)CCN(C)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000531095046 417605769 /nfs/dbraw/zinc/60/57/69/417605769.db2.gz JLVKZEXDZWTXSH-UHFFFAOYSA-N 0 3 302.356 0.240 20 5 DCBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576053078 417576900 /nfs/dbraw/zinc/57/69/00/417576900.db2.gz AZGLCZZRCKRQFG-SWHYSGLUSA-N 0 3 304.350 0.900 20 5 DCBDHN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1C1CCN(C)CC1 ZINC000354742285 261265681 /nfs/dbraw/zinc/26/56/81/261265681.db2.gz ZJQPNGHQWBOMIC-GFCCVEGCSA-N 0 3 322.413 0.933 20 5 DCBDHN [NH3+]CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000394800541 262162510 /nfs/dbraw/zinc/16/25/10/262162510.db2.gz SWJVOMSITMIRMT-VIFPVBQESA-N 0 3 309.294 0.856 20 5 DCBDHN Cc1cc(S(=O)(=O)NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000420471947 262374868 /nfs/dbraw/zinc/37/48/68/262374868.db2.gz BCWHYUKAUUFJQI-SNVBAGLBSA-N 0 3 315.351 0.170 20 5 DCBDHN CN1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000493689102 272204606 /nfs/dbraw/zinc/20/46/06/272204606.db2.gz QQEZWARWMQNXRG-LQPUYASZSA-N 0 3 322.340 0.848 20 5 DCBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CNCCO2)c1 ZINC000564841609 288775381 /nfs/dbraw/zinc/77/53/81/288775381.db2.gz SDEJXBSAVPLMKE-LLVKDONJSA-N 0 3 309.322 0.712 20 5 DCBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571226319 333685514 /nfs/dbraw/zinc/68/55/14/333685514.db2.gz NDTLAYQXOHRQDG-WCQYABFASA-N 0 3 318.333 0.546 20 5 DCBDHN CCN(Cc1cnn(C)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266542044 521439906 /nfs/dbraw/zinc/43/99/06/521439906.db2.gz HACVUMLWZHLONA-CYBMUJFWSA-N 0 3 308.342 0.408 20 5 DCBDHN CN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736798848 598501963 /nfs/dbraw/zinc/50/19/63/598501963.db2.gz JCIDUHDPPDAZFM-UHFFFAOYSA-N 0 3 318.341 0.702 20 5 DCBDHN CN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736798848 598501964 /nfs/dbraw/zinc/50/19/64/598501964.db2.gz JCIDUHDPPDAZFM-UHFFFAOYSA-N 0 3 318.341 0.702 20 5 DCBDHN C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736858889 598503894 /nfs/dbraw/zinc/50/38/94/598503894.db2.gz VLWNGFUHLVRABS-VIFPVBQESA-N 0 3 318.341 0.924 20 5 DCBDHN C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736858889 598503895 /nfs/dbraw/zinc/50/38/95/598503895.db2.gz VLWNGFUHLVRABS-VIFPVBQESA-N 0 3 318.341 0.924 20 5 DCBDHN C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736858889 598503897 /nfs/dbraw/zinc/50/38/97/598503897.db2.gz VLWNGFUHLVRABS-VIFPVBQESA-N 0 3 318.341 0.924 20 5 DCBDHN C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736858889 598503898 /nfs/dbraw/zinc/50/38/98/598503898.db2.gz VLWNGFUHLVRABS-VIFPVBQESA-N 0 3 318.341 0.924 20 5 DCBDHN C[C@H](NC[C@@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285309 663451198 /nfs/dbraw/zinc/45/11/98/663451198.db2.gz IRTAEYJUVVYHFS-SWLSCSKDSA-N 0 3 309.366 0.939 20 5 DCBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](N2CCC2)C1 ZINC000912919693 664245080 /nfs/dbraw/zinc/24/50/80/664245080.db2.gz MUWNJLZEDCWOFQ-LBPRGKRZSA-N 0 3 307.354 0.796 20 5 DCBDHN Cc1nc(C)c(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001031661954 665273342 /nfs/dbraw/zinc/27/33/42/665273342.db2.gz OEBZVTOYCYMAMK-VXGBXAGGSA-N 0 3 324.406 0.973 20 5 DCBDHN Cn1c(C(=O)NC[C@@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000885860190 667713027 /nfs/dbraw/zinc/71/30/27/667713027.db2.gz HFVHPCXNJIRNEO-LBPRGKRZSA-N 0 3 322.365 0.916 20 5 DCBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)Cn2ccnn2)cc1Cl ZINC000839178066 667735012 /nfs/dbraw/zinc/73/50/12/667735012.db2.gz BIMMXUUKSCINLK-SNVBAGLBSA-N 0 3 311.729 0.990 20 5 DCBDHN CN(C)C[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876551822 668463900 /nfs/dbraw/zinc/46/39/00/668463900.db2.gz YAQZFEQLSMCDSD-AWEZNQCLSA-N 0 3 321.381 0.132 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000716729932 670271482 /nfs/dbraw/zinc/27/14/82/670271482.db2.gz KLMLDZOVPKPDEN-VIFPVBQESA-N 0 3 301.730 0.901 20 5 DCBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000808174230 670395548 /nfs/dbraw/zinc/39/55/48/670395548.db2.gz FDZJJEGULBUEFK-JTQLQIEISA-N 0 3 310.354 0.313 20 5 DCBDHN NC(=O)c1ccnc(NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000811782108 670549186 /nfs/dbraw/zinc/54/91/86/670549186.db2.gz GMROMKFQUVJJIQ-ZJUUUORDSA-N 0 3 321.337 0.364 20 5 DCBDHN CC(COC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)[N+](=O)[O-] ZINC000813105429 670611842 /nfs/dbraw/zinc/61/18/42/670611842.db2.gz ZGTLRLNJANYJSG-MRVPVSSYSA-N 0 3 317.323 0.154 20 5 DCBDHN CC(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N+](=O)[O-] ZINC000813108074 670612040 /nfs/dbraw/zinc/61/20/40/670612040.db2.gz UWFQHUSYHNMJIW-GMTAPVOTSA-N 0 3 312.322 0.760 20 5 DCBDHN CC(COC(=O)CCCN1C(=O)NC(C)(C)C1=O)[N+](=O)[O-] ZINC000813104315 670612122 /nfs/dbraw/zinc/61/21/22/670612122.db2.gz MIGNMZPAQSLGKI-MRVPVSSYSA-N 0 3 301.299 0.305 20 5 DCBDHN CC(C)(CCC(=O)N[C@H]1CCCN(CCCO)C1)[N+](=O)[O-] ZINC000833574466 671748165 /nfs/dbraw/zinc/74/81/65/671748165.db2.gz DSHOBBNJWHKXNF-LBPRGKRZSA-N 0 3 301.387 0.785 20 5 DCBDHN CCOC(=O)C[C@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074679 672059615 /nfs/dbraw/zinc/05/96/15/672059615.db2.gz HTKFBHPDRFZSQP-YPMHNXCESA-N 0 3 312.322 0.532 20 5 DCBDHN CN(C)CCN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1=O ZINC000844376328 672178493 /nfs/dbraw/zinc/17/84/93/672178493.db2.gz RPEIPYYPQLQAAB-UHFFFAOYSA-N 0 3 324.356 0.940 20 5 DCBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cc(C)[nH]n2)C1 ZINC000967948971 690134199 /nfs/dbraw/zinc/13/41/99/690134199.db2.gz CCPGEXWPQZIKBQ-ZYHUDNBSSA-N 0 3 321.337 0.056 20 5 DCBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CNCCO1 ZINC001578426987 1165012902 /nfs/dbraw/zinc/01/29/02/1165012902.db2.gz KONCGARBPRQGSP-HNNXBMFYSA-N 0 3 322.365 0.769 20 5 DCBDHN CNc1nccc(C(=O)NC[C@]2(C)CNCCO2)c1[N+](=O)[O-] ZINC001578764217 1165097908 /nfs/dbraw/zinc/09/79/08/1165097908.db2.gz UXYGQMGXRCJLBN-ZDUSSCGKSA-N 0 3 309.326 0.140 20 5 DCBDHN Cc1cc(OCC(=O)NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001579639846 1165367988 /nfs/dbraw/zinc/36/79/88/1165367988.db2.gz VHCRPNHKPVGSGF-LBPRGKRZSA-N 0 3 309.322 0.387 20 5 DCBDHN C[NH+](C)[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@H]21 ZINC001604694845 1169657832 /nfs/dbraw/zinc/65/78/32/1169657832.db2.gz JGFKWBPHRWRIJC-URLYPYJESA-N 0 3 316.325 0.166 20 5 DCBDHN C[NH+](C)[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@H]21 ZINC001604694845 1169657835 /nfs/dbraw/zinc/65/78/35/1169657835.db2.gz JGFKWBPHRWRIJC-URLYPYJESA-N 0 3 316.325 0.166 20 5 DCBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC001645374732 1172040490 /nfs/dbraw/zinc/04/04/90/1172040490.db2.gz DPFDJCHUBCYYPA-NSHDSACASA-N 0 3 308.338 0.906 20 5 DCBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001647772776 1173055853 /nfs/dbraw/zinc/05/58/53/1173055853.db2.gz GETYYZFSFUJGOF-MRVPVSSYSA-N 0 3 324.312 0.519 20 5 DCBDHN O=[N+]([O-])c1ccn(CCN2CCN(C3CCOCC3)CC2)n1 ZINC000176288718 1184157108 /nfs/dbraw/zinc/15/71/08/1184157108.db2.gz DRJRCJJCLGSBRB-UHFFFAOYSA-N 0 3 309.370 0.588 20 5 DCBDHN