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(N[C@@H]1CCCC12OCCO2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001167389186 733375480 /nfs/dbraw/zinc/37/54/80/733375480.db2.gz QJNWQMJVXFBBAZ-GFCCVEGCSA-N -1 0 308.290 1.326 20 5 DDBDRM O=C(NC[C@@H]1CSCCS1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316558 771178564 /nfs/dbraw/zinc/17/85/64/771178564.db2.gz YVUHTMYUCNSOGM-SECBINFHSA-N -1 0 314.388 1.879 20 5 DDBDRM O=C(COCc1cc[nH]c(=O)c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001138013085 771293839 /nfs/dbraw/zinc/29/38/39/771293839.db2.gz FANHLWSSTQUSFE-UHFFFAOYSA-N -1 0 319.273 1.556 20 5 DDBDRM Cc1nn(C)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C(N)=O ZINC001176673043 778207286 /nfs/dbraw/zinc/20/72/86/778207286.db2.gz RUHMUHDNTIHEJE-UHFFFAOYSA-N -1 0 319.277 1.177 20 5 DDBDRM CCOC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC001116511889 780517196 /nfs/dbraw/zinc/51/71/96/780517196.db2.gz PJMVHQAQTMIJMG-GFCCVEGCSA-N -1 0 308.290 1.372 20 5 DDBDRM Cc1nc(Cl)nc(N[C@@H]2SC(=O)[N-]C2=O)c1[N+](=O)[O-] ZINC001155836706 862490802 /nfs/dbraw/zinc/49/08/02/862490802.db2.gz GATUAHPGESWUOJ-ZCFIWIBFSA-N -1 0 303.687 1.068 20 5 DDBDRM CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001320093184 866462569 /nfs/dbraw/zinc/46/25/69/866462569.db2.gz TXNQBBDMPDBDPM-SECBINFHSA-N -1 0 316.335 1.215 20 5 DDBDRM O=c1[n-]c(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])n[nH]1 ZINC001162717274 867760420 /nfs/dbraw/zinc/76/04/20/867760420.db2.gz HZAPCMSJHUBGAV-UHFFFAOYSA-N -1 0 320.696 1.654 20 5 DDBDRM CC[C@](C)(C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])C(=O)[O-] ZINC001322077671 867969566 /nfs/dbraw/zinc/96/95/66/867969566.db2.gz NGKOQQMSVNIREL-CQSZACIVSA-N -1 0 312.322 1.900 20 5 DDBDRM CCOC[C@@H](C)Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-] ZINC001226020253 882165141 /nfs/dbraw/zinc/16/51/41/882165141.db2.gz HRBVNKRNIYIBQD-SSDOTTSWSA-N -1 0 315.282 1.071 20 5 DDBDRM CCOC(=O)c1[n-]c(=O)nc(OC[C@@H](C)OCC)c1[N+](=O)[O-] ZINC001226021478 882165800 /nfs/dbraw/zinc/16/58/00/882165800.db2.gz RGOOGBONAJQQDO-SSDOTTSWSA-N -1 0 315.282 1.071 20 5 DDBDRM CC(C)C[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])C(=O)OC(C)C ZINC001226332097 882358200 /nfs/dbraw/zinc/35/82/00/882358200.db2.gz SLNGYIABRGSAPC-JTQLQIEISA-N -1 0 313.310 1.836 20 5 DDBDRM CC(C)(NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H](O)C(F)(F)F ZINC001302811794 871084763 /nfs/dbraw/zinc/08/47/63/871084763.db2.gz OTHSZCKFIWXCRB-JTQLQIEISA-N -1 0 322.239 1.732 20 5 DDBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])Cc2cncnc21 ZINC001302945059 871090271 /nfs/dbraw/zinc/09/02/71/871090271.db2.gz ALVGFAMCYXIXPZ-VIFPVBQESA-N -1 0 314.301 1.850 20 5 DDBDRM O=C1[N-]S(=O)(=O)c2cc(Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC001204476070 871114009 /nfs/dbraw/zinc/11/40/09/871114009.db2.gz GNMUKOKOCZGJSA-UHFFFAOYSA-N -1 0 319.298 1.771 20 5 DDBDRM O=C(NC1(c2ncon2)CCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001304120900 871192179 /nfs/dbraw/zinc/19/21/79/871192179.db2.gz CLGZIABOKMPRKX-UHFFFAOYSA-N -1 0 304.262 1.493 20 5 DDBDRM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1c[nH][nH]c1=O ZINC001306848198 871365083 /nfs/dbraw/zinc/36/50/83/871365083.db2.gz CZOMUXNQOUXVHX-UHFFFAOYSA-N -1 0 305.294 1.854 20 5 DDBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CC2(C)C)n1 ZINC001309812999 871600836 /nfs/dbraw/zinc/60/08/36/871600836.db2.gz YXSLTQQMQHBKDB-LLVKDONJSA-N -1 0 302.356 1.043 20 5 DDBDRM COC(=O)c1[n-]c(=O)nc(O[C@H]2CC[C@H](C)CC2)c1[N+](=O)[O-] ZINC001226651714 882567454 /nfs/dbraw/zinc/56/74/54/882567454.db2.gz HPXRGAMMOWKLAX-ZKCHVHJHSA-N -1 0 311.294 1.835 20 5 DDBDRM CCCSc1nc(OC[C@H]2C[C@H](O)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001218428204 877483277 /nfs/dbraw/zinc/48/32/77/877483277.db2.gz RJYAHEWUYGULLH-ZKCHVHJHSA-N -1 0 315.351 1.742 20 5 DDBDRM O=C([O-])C[C@@H](O)C(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001230767721 884857314 /nfs/dbraw/zinc/85/73/14/884857314.db2.gz BESGKPZQRDTAAP-SSDOTTSWSA-N -1 0 324.072 1.643 20 5 DDBDRM COc1ccc2nc(=O)[n-]c(O[C@@H](C[N+](=O)[O-])C3CC3)c2c1 ZINC001230863050 884984647 /nfs/dbraw/zinc/98/46/47/884984647.db2.gz WDVUSKGCSRMICE-LBPRGKRZSA-N -1 0 305.290 1.778 20 5 DDBDRM CCOC(=O)C[C@@H](C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231222087 885395980 /nfs/dbraw/zinc/39/59/80/885395980.db2.gz XJKOXLJBJKDUNS-SSDOTTSWSA-N -1 0 314.250 1.929 20 5 DDBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CCOC[C@@H]2F)cc1[O-] ZINC001231227611 885405995 /nfs/dbraw/zinc/40/59/95/885405995.db2.gz JZOSQQAZMMJCMZ-QUBYGPBYSA-N -1 0 302.214 1.714 20 5 DDBDRM CC1(CO)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000563627304 303966520 /nfs/dbraw/zinc/96/65/20/303966520.db2.gz XOGDXDXNAFXUNU-UHFFFAOYSA-N -1 0 300.698 1.408 20 5 DDBDRM Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1[N+](=O)[O-] ZINC000615778765 362435791 /nfs/dbraw/zinc/43/57/91/362435791.db2.gz VTHGOSDPPJWJHM-BIMULSAOSA-N -1 0 322.317 1.713 20 5 DDBDRM CCOC(=O)C[C@H](C)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272718948 210126364 /nfs/dbraw/zinc/12/63/64/210126364.db2.gz ZNFHFBWBLWLXQM-VIFPVBQESA-N -1 0 310.306 1.620 20 5 DDBDRM CC(C)(C)C(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181950305 199367276 /nfs/dbraw/zinc/36/72/76/199367276.db2.gz FTRMZWRLXCXCPI-UHFFFAOYSA-N -1 0 309.322 1.193 20 5 DDBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C)N1CCOCC1 ZINC000181985110 199370935 /nfs/dbraw/zinc/37/09/35/199370935.db2.gz ANJBRUSLODYAIO-MNOVXSKESA-N -1 0 323.349 1.139 20 5 DDBDRM CC(=O)N[C@H](CC1CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000279799814 215156608 /nfs/dbraw/zinc/15/66/08/215156608.db2.gz IHOGZQWSWUCXDO-CYBMUJFWSA-N -1 0 321.333 1.934 20 5 DDBDRM C[C@@H]1OCC[C@]12CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])CCO2 ZINC000279904822 215223608 /nfs/dbraw/zinc/22/36/08/215223608.db2.gz IATJNJVKSQNWJE-BONVTDFDSA-N -1 0 322.317 1.320 20 5 DDBDRM C[C@H]1OCC[C@]12CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])CCO2 ZINC000279904817 215224043 /nfs/dbraw/zinc/22/40/43/215224043.db2.gz IATJNJVKSQNWJE-BMIGLBTASA-N -1 0 322.317 1.320 20 5 DDBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C2CC2)O1 ZINC000280070973 215354214 /nfs/dbraw/zinc/35/42/14/215354214.db2.gz PSQRNIAEVNDNIF-LKFCYVNXSA-N -1 0 306.318 1.940 20 5 DDBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C/C2CC2)cc([N+](=O)[O-])c1C ZINC000491912766 234332639 /nfs/dbraw/zinc/33/26/39/234332639.db2.gz VZCIHOOPCUBRRB-AATRIKPKSA-N -1 0 324.358 1.983 20 5 DDBDRM Cc1cnc(N)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000358572676 299201393 /nfs/dbraw/zinc/20/13/93/299201393.db2.gz QNVQPCNITBGSIR-UHFFFAOYSA-N -1 0 322.346 1.990 20 5 DDBDRM O=C([O-])C1(O)CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000565042368 304039421 /nfs/dbraw/zinc/03/94/21/304039421.db2.gz YICDWZXWVPBWLI-UHFFFAOYSA-N -1 0 317.301 1.559 20 5 DDBDRM CCn1cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c([N+](=O)[O-])n1 ZINC000588144615 354904517 /nfs/dbraw/zinc/90/45/17/354904517.db2.gz PGQBZYIFUPQFHB-QMMMGPOBSA-N -1 0 324.309 1.277 20 5 DDBDRM Cc1sc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000591741027 355375767 /nfs/dbraw/zinc/37/57/67/355375767.db2.gz KVRWPWKKVZINCV-LJGSYFOKSA-N -1 0 320.348 1.106 20 5 DDBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CO[C@H](C)C1 ZINC000592106667 355500894 /nfs/dbraw/zinc/50/08/94/355500894.db2.gz LBIAELZBCKACSY-BDAKNGLRSA-N -1 0 316.335 1.059 20 5 DDBDRM C[C@@]1(O)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000592771389 355684136 /nfs/dbraw/zinc/68/41/36/355684136.db2.gz CGALGUPEUXSCAK-GFCCVEGCSA-N -1 0 300.698 1.551 20 5 DDBDRM O=C([O-])C1(C(=O)NCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000592954360 355750744 /nfs/dbraw/zinc/75/07/44/355750744.db2.gz YUAURBKLYWYPRS-UHFFFAOYSA-N -1 0 308.290 1.092 20 5 DDBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C1CC1 ZINC000593702191 355971385 /nfs/dbraw/zinc/97/13/85/355971385.db2.gz LGFZEXSIBCHBBF-WDEREUQCSA-N -1 0 305.290 1.173 20 5 DDBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000593922648 356063171 /nfs/dbraw/zinc/06/31/71/356063171.db2.gz DLBVMBQPHIRBAP-LLVKDONJSA-N -1 0 324.289 1.317 20 5 DDBDRM CC(C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000594467946 356226951 /nfs/dbraw/zinc/22/69/51/356226951.db2.gz OSTMUFYKCWUKBE-SNVBAGLBSA-N -1 0 309.322 1.480 20 5 DDBDRM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594792731 356318229 /nfs/dbraw/zinc/31/82/29/356318229.db2.gz AWIVHHJBNPWENX-MWLCHTKSSA-N -1 0 315.351 1.226 20 5 DDBDRM CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H](C)C(=O)[O-] ZINC000595283474 356433022 /nfs/dbraw/zinc/43/30/22/356433022.db2.gz WJVVXCRLENMLMT-JTQLQIEISA-N -1 0 312.326 1.120 20 5 DDBDRM COc1cc(CN(C)Cc2n[n-]c(=O)o2)c([N+](=O)[O-])cc1F ZINC000595547493 356543527 /nfs/dbraw/zinc/54/35/27/356543527.db2.gz PUPWMQLGGZBJTF-UHFFFAOYSA-N -1 0 312.257 1.463 20 5 DDBDRM O=C([O-])[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](O)C1 ZINC000595978066 356733012 /nfs/dbraw/zinc/73/30/12/356733012.db2.gz JVUXARZVWPGLRW-FZYJTZEISA-N -1 0 300.698 1.884 20 5 DDBDRM O=C([O-])[C@@H]1C[C@@H](O)[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595977784 356733549 /nfs/dbraw/zinc/73/35/49/356733549.db2.gz ICDXROGXENBDJY-DQBIJJQNSA-N -1 0 300.698 1.884 20 5 DDBDRM O=C([O-])[C@H]1C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](O)C1 ZINC000595979941 356733753 /nfs/dbraw/zinc/73/37/53/356733753.db2.gz VUVVXNBPDQZKBA-BPTDKIDVSA-N -1 0 318.289 1.174 20 5 DDBDRM O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000595979097 356734050 /nfs/dbraw/zinc/73/40/50/356734050.db2.gz QTCFUYYMSKMWBM-RLCGTCKNSA-N -1 0 317.301 1.201 20 5 DDBDRM O=C([O-])[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000596001768 356742673 /nfs/dbraw/zinc/74/26/73/356742673.db2.gz GHBPOEMEEDTRSM-CYBMUJFWSA-N -1 0 322.317 1.591 20 5 DDBDRM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000597553229 357223978 /nfs/dbraw/zinc/22/39/78/357223978.db2.gz YYSJJFMTTOSHEG-DVYJOKAKSA-N -1 0 319.317 1.026 20 5 DDBDRM O=C(NCCO[C@H]1CCCCO1)c1cccc([O-])c1[N+](=O)[O-] ZINC000597675347 357279590 /nfs/dbraw/zinc/27/95/90/357279590.db2.gz CPCODXABVYPSNQ-LBPRGKRZSA-N -1 0 310.306 1.573 20 5 DDBDRM C[C@H]1C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ncnn21 ZINC000597932511 357387156 /nfs/dbraw/zinc/38/71/56/357387156.db2.gz GOYHLKLAJFRYPY-IONNQARKSA-N -1 0 303.278 1.328 20 5 DDBDRM C[C@@H]1CN(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H](C)CO1 ZINC000597997543 357413370 /nfs/dbraw/zinc/41/33/70/357413370.db2.gz MURIPCYFOPAUKD-GHMZBOCLSA-N -1 0 323.349 1.139 20 5 DDBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](O)C(F)(F)C1 ZINC000598000391 357416404 /nfs/dbraw/zinc/41/64/04/357416404.db2.gz JNNOSCGNKFIKJW-VIFPVBQESA-N -1 0 302.233 1.143 20 5 DDBDRM C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1CCO ZINC000598067099 357454048 /nfs/dbraw/zinc/45/40/48/357454048.db2.gz HXZHBUMOSQVUGQ-GWCFXTLKSA-N -1 0 308.334 1.924 20 5 DDBDRM O=C(NCCO[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1[O-] ZINC000598140193 357473318 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0 324.358 1.904 20 5 DDBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000237974897 407859808 /nfs/dbraw/zinc/85/98/08/407859808.db2.gz MULYVXXFIRTXRM-DCAQKATOSA-N -1 0 322.321 1.036 20 5 DDBDRM COC[C@H](C)n1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000187521989 407864233 /nfs/dbraw/zinc/86/42/33/407864233.db2.gz JEWQUFOFDRXORC-VIFPVBQESA-N -1 0 320.305 1.957 20 5 DDBDRM CN(C)c1ncc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])n1C ZINC000272364432 407886960 /nfs/dbraw/zinc/88/69/60/407886960.db2.gz FYEBQFPXLGKNCC-UHFFFAOYSA-N -1 0 319.321 1.030 20 5 DDBDRM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000262888805 407963264 /nfs/dbraw/zinc/96/32/64/407963264.db2.gz CERUPWOJUJHXMX-RYUDHWBXSA-N -1 0 322.317 1.607 20 5 DDBDRM Cn1ncnc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181865883 408047878 /nfs/dbraw/zinc/04/78/78/408047878.db2.gz KBJKBTMAWGAGPW-UHFFFAOYSA-N -1 0 313.220 1.577 20 5 DDBDRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000263295582 408096187 /nfs/dbraw/zinc/09/61/87/408096187.db2.gz SJQWELMBPOHVHO-ZWNOBZJWSA-N -1 0 322.317 1.513 20 5 DDBDRM CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273348585 408162414 /nfs/dbraw/zinc/16/24/14/408162414.db2.gz XQZFJCRFEPYOLV-NSHDSACASA-N -1 0 322.317 1.858 20 5 DDBDRM C[C@@](O)(CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC000263544392 408169794 /nfs/dbraw/zinc/16/97/94/408169794.db2.gz FZLFVXHAMZFWPH-SNVBAGLBSA-N -1 0 308.212 1.861 20 5 DDBDRM CCc1nc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])no1 ZINC000183404057 408402797 /nfs/dbraw/zinc/40/27/97/408402797.db2.gz AFTCKMMDYXVYBZ-UHFFFAOYSA-N -1 0 312.307 1.482 20 5 DDBDRM O=C([O-])[C@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165225343 408809288 /nfs/dbraw/zinc/80/92/88/408809288.db2.gz PQMFAQOTTZNDJE-SNVBAGLBSA-N -1 0 314.681 1.174 20 5 DDBDRM C[C@H](CN1CCCC1=O)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000178104366 408774565 /nfs/dbraw/zinc/77/45/65/408774565.db2.gz LSVCVVRRJFYOMB-SECBINFHSA-N -1 0 307.306 1.041 20 5 DDBDRM C[C@H]1c2nncn2CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000276999359 408903328 /nfs/dbraw/zinc/90/33/28/408903328.db2.gz XOFKEOBBPUBQKC-QMMMGPOBSA-N -1 0 303.278 1.109 20 5 DDBDRM CC(C)(C)n1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)nn1 ZINC000191274613 163180018 /nfs/dbraw/zinc/18/00/18/163180018.db2.gz PYNFJUXWTYHMLR-UHFFFAOYSA-N -1 0 305.294 1.899 20 5 DDBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCO[C@@]2(CCCOC2)C1 ZINC000286289165 408956375 /nfs/dbraw/zinc/95/63/75/408956375.db2.gz JFECIVFTRPKUCG-HNNXBMFYSA-N -1 0 322.317 1.322 20 5 DDBDRM CC(C)C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000261703429 163688555 /nfs/dbraw/zinc/68/85/55/163688555.db2.gz KFRZFMGYUCTRGW-LLVKDONJSA-N -1 0 324.333 1.837 20 5 DDBDRM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000262865650 163886978 /nfs/dbraw/zinc/88/69/78/163886978.db2.gz CGCYDFUCIKOCMD-DTORHVGOSA-N -1 0 312.709 1.770 20 5 DDBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC000262914215 163892735 /nfs/dbraw/zinc/89/27/35/163892735.db2.gz DUCOAJKRYYDAFL-SCZZXKLOSA-N -1 0 308.290 1.539 20 5 DDBDRM COC[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262991401 163900877 /nfs/dbraw/zinc/90/08/77/163900877.db2.gz OCYIJZCTHVKUAG-NSHDSACASA-N -1 0 324.333 1.722 20 5 DDBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C(=O)OC(C)(C)C ZINC000316516781 164022718 /nfs/dbraw/zinc/02/27/18/164022718.db2.gz VIKCTVJXFOEECW-SSDOTTSWSA-N -1 0 311.294 1.155 20 5 DDBDRM Cc1cc(C)n(CCCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000324285805 164050292 /nfs/dbraw/zinc/05/02/92/164050292.db2.gz MAGSTPAXWSVXHU-UHFFFAOYSA-N -1 0 318.333 1.934 20 5 DDBDRM Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000285538793 409481422 /nfs/dbraw/zinc/48/14/22/409481422.db2.gz HTTOEZFVSXMOAI-SECBINFHSA-N -1 0 305.294 1.359 20 5 DDBDRM NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000348801672 409515682 /nfs/dbraw/zinc/51/56/82/409515682.db2.gz LYACTOOEWFADFW-BDAKNGLRSA-N -1 0 307.306 1.531 20 5 DDBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)NC1(c2nnn[n-]2)CCCC1 ZINC000345557940 409698130 /nfs/dbraw/zinc/69/81/30/409698130.db2.gz XZKCBPAOFOYJJP-UHFFFAOYSA-N -1 0 316.321 1.236 20 5 DDBDRM CN(C)c1cccnc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356939332 409732974 /nfs/dbraw/zinc/73/29/74/409732974.db2.gz VUIDIYUAOATPSE-UHFFFAOYSA-N -1 0 316.317 1.691 20 5 DDBDRM O=C(N=c1cccn[n-]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346060002 409747693 /nfs/dbraw/zinc/74/76/93/409747693.db2.gz OKHATZTYYBHEAW-UHFFFAOYSA-N -1 0 310.273 1.823 20 5 DDBDRM CSc1cccc(C(=O)NC2(c3nnn[n-]3)CC2)c1[N+](=O)[O-] ZINC000357064947 409832107 /nfs/dbraw/zinc/83/21/07/409832107.db2.gz DEEVYSWRHROBHA-UHFFFAOYSA-N -1 0 320.334 1.249 20 5 DDBDRM O=C(N[C@@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000338251418 409838223 /nfs/dbraw/zinc/83/82/23/409838223.db2.gz WMFMWSXTSWOHIW-GFCCVEGCSA-N -1 0 308.334 1.971 20 5 DDBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]OC(C)(C)CO ZINC000297282652 409891538 /nfs/dbraw/zinc/89/15/38/409891538.db2.gz SWGGRBIXKZQPAN-SECBINFHSA-N -1 0 314.363 1.894 20 5 DDBDRM COCCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000339133852 410061403 /nfs/dbraw/zinc/06/14/03/410061403.db2.gz PKYMFCYSDKHVJM-RISCZKNCSA-N -1 0 310.350 1.926 20 5 DDBDRM CC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000355506393 410552004 /nfs/dbraw/zinc/55/20/04/410552004.db2.gz DTOJBSNLFMNWCL-ZETCQYMHSA-N -1 0 316.335 1.678 20 5 DDBDRM COc1cc(F)c([N+](=O)[O-])c(NCCCc2nc(=O)[n-][nH]2)c1 ZINC000301539477 410740996 /nfs/dbraw/zinc/74/09/96/410740996.db2.gz MUSAEGDWDMYOLQ-UHFFFAOYSA-N -1 0 311.273 1.199 20 5 DDBDRM O=C(N[C@@H](CCO)c1ccco1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000347866823 410765352 /nfs/dbraw/zinc/76/53/52/410765352.db2.gz JJKONCCXOOWLKD-LBPRGKRZSA-N -1 0 306.274 1.747 20 5 DDBDRM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Cn1cccn1 ZINC000356067024 410806918 /nfs/dbraw/zinc/80/69/18/410806918.db2.gz ZAVXIIHIOMLEBP-JTQLQIEISA-N -1 0 304.306 1.563 20 5 DDBDRM CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000330609166 410822875 /nfs/dbraw/zinc/82/28/75/410822875.db2.gz RULCHEJQGCSWLI-IINYFYTJSA-N -1 0 308.334 1.924 20 5 DDBDRM CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000330609168 410824074 /nfs/dbraw/zinc/82/40/74/410824074.db2.gz RULCHEJQGCSWLI-YGRLFVJLSA-N -1 0 308.334 1.924 20 5 DDBDRM Cc1sc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000417419745 225322115 /nfs/dbraw/zinc/32/21/15/225322115.db2.gz DRNDCMRVVMDPPG-SSDOTTSWSA-N -1 0 320.348 1.060 20 5 DDBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H](n2cccn2)C1 ZINC000291069021 222112587 /nfs/dbraw/zinc/11/25/87/222112587.db2.gz AWIYTXYUQRJJOU-NSHDSACASA-N -1 0 302.290 1.584 20 5 DDBDRM C[C@H](Sc1n[nH]c(=O)[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361995095 418736226 /nfs/dbraw/zinc/73/62/26/418736226.db2.gz BXVOOHYLJIRJHY-LURJTMIESA-N -1 0 309.307 1.538 20 5 DDBDRM O=C(N[C@@H]1Cc2cccc(O)c2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000430262595 420097821 /nfs/dbraw/zinc/09/78/21/420097821.db2.gz WKTJJVWOHVTJAP-LLVKDONJSA-N -1 0 314.297 1.903 20 5 DDBDRM O=C(NCc1cnn2ccccc12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436610892 420342994 /nfs/dbraw/zinc/34/29/94/420342994.db2.gz NVOUKRTYRRXOQI-UHFFFAOYSA-N -1 0 312.285 1.878 20 5 DDBDRM O=C([O-])[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000416385992 420351269 /nfs/dbraw/zinc/35/12/69/420351269.db2.gz HMANDOKMVYITMF-SECBINFHSA-N -1 0 304.262 1.556 20 5 DDBDRM CC(C)[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)[O-] ZINC000416397425 420355026 /nfs/dbraw/zinc/35/50/26/420355026.db2.gz JNWGBFQDEBDDIS-JTQLQIEISA-N -1 0 306.278 2.166 20 5 DDBDRM O=C(NC[C@@H](CO)c1cccnc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436738647 420362476 /nfs/dbraw/zinc/36/24/76/420362476.db2.gz MEKGQFDDGPQFFD-NSHDSACASA-N -1 0 317.301 1.201 20 5 DDBDRM CO[C@@H](CCNC(=O)c1cccc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000436814700 420369196 /nfs/dbraw/zinc/36/91/96/420369196.db2.gz ISIGQIYSSUBACH-VIFPVBQESA-N -1 0 322.239 1.998 20 5 DDBDRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000416447357 420375786 /nfs/dbraw/zinc/37/57/86/420375786.db2.gz ROCUZERUIXZRGO-CHWSQXEVSA-N -1 0 321.333 1.717 20 5 DDBDRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000416447541 420375836 /nfs/dbraw/zinc/37/58/36/420375836.db2.gz ROCUZERUIXZRGO-QWHCGFSZSA-N -1 0 321.333 1.717 20 5 DDBDRM NC(=O)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436967024 420386207 /nfs/dbraw/zinc/38/62/07/420386207.db2.gz WSEDUDDBYIMZBD-SECBINFHSA-N -1 0 307.306 1.171 20 5 DDBDRM O=C(N[C@@H](CO)c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436959739 420386943 /nfs/dbraw/zinc/38/69/43/420386943.db2.gz NYSOPJPSCRVWDS-ZDUSSCGKSA-N -1 0 320.276 1.903 20 5 DDBDRM CCc1ccnc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000438568429 420459826 /nfs/dbraw/zinc/45/98/26/420459826.db2.gz AVPDSOCOKWLZTI-UHFFFAOYSA-N -1 0 302.290 1.583 20 5 DDBDRM C[C@H](O)CN(CC(F)F)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000456638002 420520818 /nfs/dbraw/zinc/52/08/18/420520818.db2.gz VAKYTPXXLCNGME-ZETCQYMHSA-N -1 0 304.249 1.389 20 5 DDBDRM CO[C@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C12CCC2 ZINC000458192450 420644022 /nfs/dbraw/zinc/64/40/22/420644022.db2.gz NMIQUBNVGGTORT-STQMWFEESA-N -1 0 306.318 1.988 20 5 DDBDRM CN(C)C(=O)O[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000495963273 421105641 /nfs/dbraw/zinc/10/56/41/421105641.db2.gz SQMDSPQYHNZXGT-GFCCVEGCSA-N -1 0 309.322 1.573 20 5 DDBDRM O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000456141912 421107244 /nfs/dbraw/zinc/10/72/44/421107244.db2.gz IDSVIOZOJOPDMB-DZGCQCFKSA-N -1 0 320.345 1.827 20 5 DDBDRM C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c2nccn21 ZINC000456429896 421166610 /nfs/dbraw/zinc/16/66/10/421166610.db2.gz SAHWNCOQZYPBHJ-KCJUWKMLSA-N -1 0 302.290 1.933 20 5 DDBDRM CC[C@@H](C)[C@](C)(O)CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569488407 421626357 /nfs/dbraw/zinc/62/63/57/421626357.db2.gz FGZCNDKBQDQSFB-XLKFXECMSA-N -1 0 311.338 2.205 20 5 DDBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)Cc2ccncc2)n1 ZINC000569814001 421628114 /nfs/dbraw/zinc/62/81/14/421628114.db2.gz RVPOIRNHVSCADH-SECBINFHSA-N -1 0 316.317 2.435 20 5 DDBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](C)Cn2cccn2)n1 ZINC000570519069 421650649 /nfs/dbraw/zinc/65/06/49/421650649.db2.gz AAIULBGSTGRAOK-SECBINFHSA-N -1 0 319.321 1.941 20 5 DDBDRM O=C([O-])c1cn([C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000573235803 421936867 /nfs/dbraw/zinc/93/68/67/421936867.db2.gz QOKYKKIZDPRABZ-VIFPVBQESA-N -1 0 303.278 1.336 20 5 DDBDRM O=C([O-])C1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCCCC1 ZINC000574919807 422215367 /nfs/dbraw/zinc/21/53/67/422215367.db2.gz MDNCUWRRTUMGJC-UHFFFAOYSA-N -1 0 319.321 2.085 20 5 DDBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000575130517 422266735 /nfs/dbraw/zinc/26/67/35/422266735.db2.gz SEIITWMHCBXUBD-QRTLGDNMSA-N -1 0 305.290 1.315 20 5 DDBDRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1c[nH]nc1[N+](=O)[O-] ZINC000578714989 422629508 /nfs/dbraw/zinc/62/95/08/422629508.db2.gz NUAGIUZGVYFYQM-UHFFFAOYSA-N -1 0 316.302 1.511 20 5 DDBDRM CC[C@@H](C)[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000320844089 271026871 /nfs/dbraw/zinc/02/68/71/271026871.db2.gz SFYWXTXQOIYAFV-MFKMUULPSA-N -1 0 323.349 1.936 20 5 DDBDRM O=C([O-])C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000345951975 272374045 /nfs/dbraw/zinc/37/40/45/272374045.db2.gz FVEKRZOSVSFMMG-GFCCVEGCSA-N -1 0 324.337 1.331 20 5 DDBDRM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000416562962 276527283 /nfs/dbraw/zinc/52/72/83/276527283.db2.gz XQIHIGSSTYQKKK-KOLCDFICSA-N -1 0 318.326 1.580 20 5 DDBDRM CC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492800283 281605733 /nfs/dbraw/zinc/60/57/33/281605733.db2.gz OMZDWRBPZQTJRW-SREVYHEPSA-N -1 0 310.331 1.607 20 5 DDBDRM C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCC[C@@H]1O ZINC000161621363 297898654 /nfs/dbraw/zinc/89/86/54/297898654.db2.gz XWNTZVOQXXRTMY-ZFWWWQNUSA-N -1 0 308.334 1.971 20 5 DDBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC000573494678 304597287 /nfs/dbraw/zinc/59/72/87/304597287.db2.gz JTESNHQYADDBMB-NSHDSACASA-N -1 0 308.290 1.477 20 5 DDBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000263369932 300407016 /nfs/dbraw/zinc/40/70/16/300407016.db2.gz VBPRBPMJHLCUQH-DTWKUNHWSA-N -1 0 310.281 1.917 20 5 DDBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC000339970010 301203842 /nfs/dbraw/zinc/20/38/42/301203842.db2.gz XMCKGTWYJXUPGX-JTQLQIEISA-N -1 0 318.337 1.814 20 5 DDBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnc([O-])n(C)c1=O ZINC000435233319 301206735 /nfs/dbraw/zinc/20/67/35/301206735.db2.gz AXZUNOVOWRSNLQ-UHFFFAOYSA-N -1 0 318.289 1.263 20 5 DDBDRM CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000370788748 301392948 /nfs/dbraw/zinc/39/29/48/301392948.db2.gz UDWAIXISFIEUQN-YWXMQNBFSA-N -1 0 306.318 1.818 20 5 DDBDRM O=C(N[C@H]1CCc2nc[nH]c2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000378317404 302311650 /nfs/dbraw/zinc/31/16/50/302311650.db2.gz ZLEOMIGSYPORRE-QMMMGPOBSA-N -1 0 302.290 1.311 20 5 DDBDRM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CS1 ZINC000397893606 302356913 /nfs/dbraw/zinc/35/69/13/302356913.db2.gz PXJRSLBVJVDOSW-JGVFFNPUSA-N -1 0 320.367 1.906 20 5 DDBDRM Cn1ccnc1-c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000371075790 307141974 /nfs/dbraw/zinc/14/19/74/307141974.db2.gz NQWPNJAJGPXSQF-UHFFFAOYSA-N -1 0 320.290 1.692 20 5 DDBDRM O=C([O-])C1(O)CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000395320428 307296064 /nfs/dbraw/zinc/29/60/64/307296064.db2.gz LXWVBLHQHZAJFK-PLNGDYQASA-N -1 0 320.301 1.046 20 5 DDBDRM C/C=C/C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000559579358 307903620 /nfs/dbraw/zinc/90/36/20/307903620.db2.gz XBGLNBGDTKWZON-JDGPPOGSSA-N -1 0 321.333 1.856 20 5 DDBDRM COC(=O)C[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567945192 308101467 /nfs/dbraw/zinc/10/14/67/308101467.db2.gz JYUMSDYYJMRPPN-ZCFIWIBFSA-N -1 0 316.697 1.635 20 5 DDBDRM Cc1nc2n(n1)C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CC2 ZINC000571287145 308193801 /nfs/dbraw/zinc/19/38/01/308193801.db2.gz CSVSCDHXJYCCJA-JTQLQIEISA-N -1 0 317.305 1.620 20 5 DDBDRM Cc1cc(N2C[C@@H](C)O[C@@H](CO)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573970868 308257691 /nfs/dbraw/zinc/25/76/91/308257691.db2.gz MSGADTMFQHJGKC-MWLCHTKSSA-N -1 0 310.306 1.187 20 5 DDBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCC[C@]2(C)CO)n1 ZINC000583383863 332378172 /nfs/dbraw/zinc/37/81/72/332378172.db2.gz WOAMYFITQOBUFK-IINYFYTJSA-N -1 0 309.322 1.959 20 5 DDBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc21 ZINC000583419748 332397645 /nfs/dbraw/zinc/39/76/45/332397645.db2.gz FDTDQGPAFMMDGP-LLVKDONJSA-N -1 0 313.269 1.818 20 5 DDBDRM CCNC(=O)[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000582848311 337210010 /nfs/dbraw/zinc/21/00/10/337210010.db2.gz MTYXVRZJSGBSEC-LURJTMIESA-N -1 0 315.713 1.208 20 5 DDBDRM O=C([O-])CCCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540706091 518201320 /nfs/dbraw/zinc/20/13/20/518201320.db2.gz GZRKSIXWSXQNOM-UHFFFAOYSA-N -1 0 324.289 1.698 20 5 DDBDRM O=C(NC[C@H](CO)c1cccnc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436741115 534620860 /nfs/dbraw/zinc/62/08/60/534620860.db2.gz SBGRHUSOGWCVDZ-GFCCVEGCSA-N -1 0 317.301 1.201 20 5 DDBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@]1(O)CCOC1 ZINC000413679091 534817809 /nfs/dbraw/zinc/81/78/09/534817809.db2.gz YGDWVWKZMKYFHL-LLVKDONJSA-N -1 0 302.670 1.044 20 5 DDBDRM CC(C)(C)c1nnc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[nH]1 ZINC000458028171 526845922 /nfs/dbraw/zinc/84/59/22/526845922.db2.gz SGHGALKUKJQNJI-UHFFFAOYSA-N -1 0 319.321 1.646 20 5 DDBDRM CCC[C@]1(CO)CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000292900467 528521870 /nfs/dbraw/zinc/52/18/70/528521870.db2.gz CAABRORXIIKEBE-HNNXBMFYSA-N -1 0 308.334 1.925 20 5 DDBDRM CC(C)C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])C(=O)[O-] ZINC000424385006 528525863 /nfs/dbraw/zinc/52/58/63/528525863.db2.gz SVTCGVAEYWQVOH-SECBINFHSA-N -1 0 310.310 1.280 20 5 DDBDRM Cc1c(C(=O)NCCCC(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000020200165 597279223 /nfs/dbraw/zinc/27/92/23/597279223.db2.gz FFRKZZOVOUCVRD-UHFFFAOYSA-N -1 0 311.250 1.406 20 5 DDBDRM C[C@@H](C(=O)[O-])N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000817772325 597475046 /nfs/dbraw/zinc/47/50/46/597475046.db2.gz UIJWSZWGBBEDDP-ZETCQYMHSA-N -1 0 315.713 1.592 20 5 DDBDRM CC[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000820410699 597710527 /nfs/dbraw/zinc/71/05/27/597710527.db2.gz HKIVPCSFJMTLLI-SSDOTTSWSA-N -1 0 318.232 1.789 20 5 DDBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CC(=O)[O-])C(C)C ZINC000821103628 598081780 /nfs/dbraw/zinc/08/17/80/598081780.db2.gz KKWTULAVHARIEM-UHFFFAOYSA-N -1 0 309.322 1.637 20 5 DDBDRM CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000737209660 599729063 /nfs/dbraw/zinc/72/90/63/599729063.db2.gz BKOKWAWDAXSKEO-GHMZBOCLSA-N -1 0 309.274 1.757 20 5 DDBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000049871608 599945402 /nfs/dbraw/zinc/94/54/02/599945402.db2.gz ZKJQXLSXRAKTJN-JTQLQIEISA-N -1 0 314.681 1.174 20 5 DDBDRM O=C([O-])CCCc1nc(COc2cccc([N+](=O)[O-])c2)no1 ZINC000739701945 600183948 /nfs/dbraw/zinc/18/39/48/600183948.db2.gz IRUOCKHODHKKOQ-UHFFFAOYSA-N -1 0 307.262 1.964 20 5 DDBDRM Cc1n[nH]c(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1[N+](=O)[O-] ZINC000738249266 600197055 /nfs/dbraw/zinc/19/70/55/600197055.db2.gz RMRCJSHIISSJEH-LBPRGKRZSA-N -1 0 318.289 1.524 20 5 DDBDRM COC(=O)CN(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000737615733 600405024 /nfs/dbraw/zinc/40/50/24/600405024.db2.gz PWSHJQLGSRSOPP-UHFFFAOYSA-N -1 0 316.697 1.308 20 5 DDBDRM CC[C@@](C)(O)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736869646 600433309 /nfs/dbraw/zinc/43/33/09/600433309.db2.gz SJBTULLQFUCOGY-GFCCVEGCSA-N -1 0 313.266 1.774 20 5 DDBDRM CCCc1[nH]nc(C(=O)Nc2cc(C(=O)[O-])ccn2)c1[N+](=O)[O-] ZINC000737039337 600452061 /nfs/dbraw/zinc/45/20/61/600452061.db2.gz YHFAJPXLGZWOHY-UHFFFAOYSA-N -1 0 319.277 1.616 20 5 DDBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](CC(C)C)C(=O)[O-] ZINC000738869273 600574059 /nfs/dbraw/zinc/57/40/59/600574059.db2.gz JAYPAPPNNOTCGM-JTQLQIEISA-N -1 0 313.310 1.532 20 5 DDBDRM O=C([O-])c1cccn2cc(Cn3cccc([N+](=O)[O-])c3=O)nc12 ZINC000740239626 600818908 /nfs/dbraw/zinc/81/89/08/600818908.db2.gz DAXOXPVMIQRHRG-UHFFFAOYSA-N -1 0 314.257 1.151 20 5 DDBDRM C[C@H](NC(=O)c1ccc(N(C)C2CCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827695761 601445825 /nfs/dbraw/zinc/44/58/25/601445825.db2.gz WQQNYTODOXZHNP-VIFPVBQESA-N -1 0 321.333 1.786 20 5 DDBDRM C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1C(=O)[O-] ZINC000828489223 601562720 /nfs/dbraw/zinc/56/27/20/601562720.db2.gz ZAZCRSLPSXCJDZ-WPRPVWTQSA-N -1 0 319.317 1.636 20 5 DDBDRM O=C([O-])C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000776575086 601613167 /nfs/dbraw/zinc/61/31/67/601613167.db2.gz NSBSIBVCCANNRP-ZETCQYMHSA-N -1 0 320.348 1.188 20 5 DDBDRM O=C([O-])[C@@]1(F)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000262756037 601710316 /nfs/dbraw/zinc/71/03/16/601710316.db2.gz KXMBBDBAVAFKEW-CYBMUJFWSA-N -1 0 311.269 1.032 20 5 DDBDRM O=C([O-])[C@]1(F)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000833354191 601715758 /nfs/dbraw/zinc/71/57/58/601715758.db2.gz NJQBBKBXTGJMHU-LBPRGKRZSA-N -1 0 300.217 1.373 20 5 DDBDRM Cc1cc(C(=O)NCCN(C(=O)[O-])C2CC2)cc([N+](=O)[O-])c1 ZINC000740063394 601981603 /nfs/dbraw/zinc/98/16/03/601981603.db2.gz RVVDYESNIBRXOK-UHFFFAOYSA-N -1 0 307.306 1.775 20 5 DDBDRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000829972904 602081839 /nfs/dbraw/zinc/08/18/39/602081839.db2.gz MZDMXFPJUMQCBS-NSHDSACASA-N -1 0 314.269 1.296 20 5 DDBDRM COC(=O)c1cc(NC(=O)[C@H](C)CC(=O)[O-])cc([N+](=O)[O-])c1 ZINC000831257028 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ZINC000830800541 602288688 /nfs/dbraw/zinc/28/86/88/602288688.db2.gz HHCOMTVGHPIFJZ-UHFFFAOYSA-N -1 0 317.301 1.591 20 5 DDBDRM CC(=O)N[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000825871737 602313417 /nfs/dbraw/zinc/31/34/17/602313417.db2.gz XDXNHPZQNMWRQK-NSHDSACASA-N -1 0 321.333 1.706 20 5 DDBDRM Cc1cc(NC[C@H](O)c2cnn(C)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896736 602320635 /nfs/dbraw/zinc/32/06/35/602320635.db2.gz LOGIVKGUILTJBM-LBPRGKRZSA-N -1 0 320.305 1.480 20 5 DDBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN(C(=O)[O-])C(C)C ZINC000740238505 602356717 /nfs/dbraw/zinc/35/67/17/602356717.db2.gz MIRGTLGMESYOOT-UHFFFAOYSA-N -1 0 324.337 1.807 20 5 DDBDRM Cc1cccc(N(CC(=O)[O-])C(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000832970754 602398224 /nfs/dbraw/zinc/39/82/24/602398224.db2.gz CWOUFWMMYFWGNT-UHFFFAOYSA-N -1 0 316.273 1.425 20 5 DDBDRM CCN(CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000739435447 602472658 /nfs/dbraw/zinc/47/26/58/602472658.db2.gz QLGBGGXOAHJQME-UHFFFAOYSA-N 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603784452 /nfs/dbraw/zinc/78/44/52/603784452.db2.gz GWFWIBYKDHJKLA-LBPRGKRZSA-N -1 0 322.273 1.381 20 5 DDBDRM CN(CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC000828302996 603890780 /nfs/dbraw/zinc/89/07/80/603890780.db2.gz WOVZFWMRQRJXIW-UHFFFAOYSA-N -1 0 315.713 1.978 20 5 DDBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000825242815 604165700 /nfs/dbraw/zinc/16/57/00/604165700.db2.gz AQWCWTGRLNIHLI-NXEZZACHSA-N -1 0 324.337 1.442 20 5 DDBDRM CN(C(=O)[O-])[C@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000827899619 604224868 /nfs/dbraw/zinc/22/48/68/604224868.db2.gz IMKWWJVYYSEGGT-VIFPVBQESA-N -1 0 310.266 1.692 20 5 DDBDRM CC(C)(NC(=O)[O-])C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000824025108 604227601 /nfs/dbraw/zinc/22/76/01/604227601.db2.gz MLKWISSMWGWOTO-UHFFFAOYSA-N -1 0 300.242 1.823 20 5 DDBDRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000825247597 604249660 /nfs/dbraw/zinc/24/96/60/604249660.db2.gz ZFYWVAHMTYIVQN-IUCAKERBSA-N -1 0 311.294 1.696 20 5 DDBDRM O=C([O-])c1occc1COC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000833353144 604265920 /nfs/dbraw/zinc/26/59/20/604265920.db2.gz PDPFNQPOHZYLFX-UHFFFAOYSA-N -1 0 307.214 1.949 20 5 DDBDRM Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000830427823 604451095 /nfs/dbraw/zinc/45/10/95/604451095.db2.gz NQBLXYPQMUCHMS-GXFFZTMASA-N -1 0 309.322 1.765 20 5 DDBDRM C[C@H](NC(=O)[O-])[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000825361230 604626394 /nfs/dbraw/zinc/62/63/94/604626394.db2.gz RWDMAPDGRFGQAX-GXFFZTMASA-N -1 0 309.322 1.452 20 5 DDBDRM C[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1ccccc1[N+](=O)[O-] ZINC000825573507 605066690 /nfs/dbraw/zinc/06/66/90/605066690.db2.gz ZLYYUFIJKWQNKT-CABZTGNLSA-N -1 0 324.289 1.578 20 5 DDBDRM C[C@H](Cc1noc(-c2ccc([N+](=O)[O-])cn2)n1)N(C)C(=O)[O-] ZINC000825036277 605302286 /nfs/dbraw/zinc/30/22/86/605302286.db2.gz LNEOEAYNKAVLQH-SSDOTTSWSA-N -1 0 307.266 1.581 20 5 DDBDRM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[C@@H]1NC(=O)[O-] ZINC000833851686 605356867 /nfs/dbraw/zinc/35/68/67/605356867.db2.gz RGGCUNMFHYYBPZ-KOLCDFICSA-N -1 0 322.321 1.498 20 5 DDBDRM O=C([O-])N1CC[C@H](CCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000834076202 605414572 /nfs/dbraw/zinc/41/45/72/605414572.db2.gz WIMVOVKOFTZFLO-VIFPVBQESA-N -1 0 320.309 1.439 20 5 DDBDRM C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1C(=O)[O-] ZINC000833622099 605450584 /nfs/dbraw/zinc/45/05/84/605450584.db2.gz LQADPDYFYIYTBL-APPZFPTMSA-N -1 0 322.273 1.116 20 5 DDBDRM C[C@H](COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)NC(=O)[O-] ZINC000833809231 605665802 /nfs/dbraw/zinc/66/58/02/605665802.db2.gz PEZAUQYKKGMMNO-ZCFIWIBFSA-N -1 0 312.234 1.136 20 5 DDBDRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000825817046 605764536 /nfs/dbraw/zinc/76/45/36/605764536.db2.gz NTVRBJLSOCDBTD-CMPLNLGQSA-N -1 0 321.333 1.784 20 5 DDBDRM O=C([O-])N[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000834146166 605870929 /nfs/dbraw/zinc/87/09/29/605870929.db2.gz GLQSSSLWPFRVHJ-JTQLQIEISA-N -1 0 311.269 1.510 20 5 DDBDRM O=C([O-])N[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000834151674 605923780 /nfs/dbraw/zinc/92/37/80/605923780.db2.gz VLXIRLLUSGWFDG-SNVBAGLBSA-N -1 0 310.266 1.961 20 5 DDBDRM O=C([O-])N(CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000834002615 605979660 /nfs/dbraw/zinc/97/96/60/605979660.db2.gz BKJGHXMUYLYDNX-UHFFFAOYSA-N -1 0 322.273 1.463 20 5 DDBDRM NC(=O)c1ccc(COc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000013414166 696053668 /nfs/dbraw/zinc/05/36/68/696053668.db2.gz OBNIHTZOQODQMV-UHFFFAOYSA-N -1 0 316.269 1.971 20 5 DDBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)CCCF ZINC000747134461 700056422 /nfs/dbraw/zinc/05/64/22/700056422.db2.gz SDCOGUVJSRCIBQ-DAXSKMNVSA-N -1 0 316.310 1.414 20 5 DDBDRM COCCCCC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000138508887 696861281 /nfs/dbraw/zinc/86/12/81/696861281.db2.gz WAJCMUVZIAKDSK-UHFFFAOYSA-N -1 0 316.335 1.216 20 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1.774 20 5 DDBDRM CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000789474165 699389148 /nfs/dbraw/zinc/38/91/48/699389148.db2.gz BRAMUWKXAHNRMI-QMMMGPOBSA-N -1 0 300.336 1.754 20 5 DDBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cn1C ZINC000733060166 699578251 /nfs/dbraw/zinc/57/82/51/699578251.db2.gz KQPNOKWHIZMTGB-UHFFFAOYSA-N -1 0 317.367 1.429 20 5 DDBDRM COc1cc(OCC(=O)[N-]OCC(F)F)ccc1[N+](=O)[O-] ZINC000760151804 700793969 /nfs/dbraw/zinc/79/39/69/700793969.db2.gz SXSXFKBRZAQJEK-UHFFFAOYSA-N -1 0 306.221 1.295 20 5 DDBDRM O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770007388 701264181 /nfs/dbraw/zinc/26/41/81/701264181.db2.gz FXEBMPSYQSAWIG-UHFFFAOYSA-N -1 0 312.673 1.394 20 5 DDBDRM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)[N-]OC/C=C/Cl ZINC000812400704 702175461 /nfs/dbraw/zinc/17/54/61/702175461.db2.gz BXAUKPGPWLSKIN-DAFODLJHSA-N -1 0 310.697 1.745 20 5 DDBDRM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)[N-]OCC1CC1 ZINC000817325123 702340376 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DDBDRM CC(C)n1cnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000844836020 703077659 /nfs/dbraw/zinc/07/76/59/703077659.db2.gz ZDPVHNFEOMIJIO-UHFFFAOYSA-N -1 0 317.352 1.630 20 5 DDBDRM CCn1ccc(CC(=O)OCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000845293324 703140006 /nfs/dbraw/zinc/14/00/06/703140006.db2.gz OKDHLXUEIMSLRV-UHFFFAOYSA-N -1 0 305.290 1.803 20 5 DDBDRM COC/C(C)=C\C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000845469435 703160934 /nfs/dbraw/zinc/16/09/34/703160934.db2.gz ZWNCBPXIIYMUTC-CLTKARDFSA-N -1 0 320.348 1.054 20 5 DDBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000846715769 703323368 /nfs/dbraw/zinc/32/33/68/703323368.db2.gz XYDZCOJKGPXQNL-JTQLQIEISA-N -1 0 314.269 1.434 20 5 DDBDRM Nc1ccc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000851619956 703816879 /nfs/dbraw/zinc/81/68/79/703816879.db2.gz JYIOEEAORMWSBG-SNVBAGLBSA-N -1 0 307.306 1.408 20 5 DDBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC2=C(CCC(=O)N2)C1 ZINC000855151439 704470929 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356734813 /nfs/dbraw/zinc/73/48/13/356734813.db2.gz YUJZVBHEOFWATN-PCTYZZJISA-N -1 0 317.301 1.779 20 5 DDBDRM O=C([O-])[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000597160337 357076497 /nfs/dbraw/zinc/07/64/97/357076497.db2.gz AIUDDEHFUNOGOO-LBPRGKRZSA-N -1 0 308.290 1.204 20 5 DDBDRM C[C@H]1C[C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])c2ncnn21 ZINC000597935940 357388461 /nfs/dbraw/zinc/38/84/61/357388461.db2.gz LLPOJVQDAXAQLE-CBAPKCEASA-N -1 0 303.278 1.328 20 5 DDBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000598658882 357674202 /nfs/dbraw/zinc/67/42/02/357674202.db2.gz OSHYMVMSXBLPPT-ZDUSSCGKSA-N -1 0 321.333 1.863 20 5 DDBDRM C[C@]1(C(F)F)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCO1 ZINC000598570342 357636081 /nfs/dbraw/zinc/63/60/81/357636081.db2.gz DOGVAGNGOANDJD-CYBMUJFWSA-N -1 0 316.260 1.797 20 5 DDBDRM C[C@@]1(C(F)F)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCO1 ZINC000598572415 357636868 /nfs/dbraw/zinc/63/68/68/357636868.db2.gz LNTDOQBJYLPLOX-ZDUSSCGKSA-N -1 0 316.260 1.797 20 5 DDBDRM COC(=O)c1ccnc(NC[C@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000598733344 357708355 /nfs/dbraw/zinc/70/83/55/357708355.db2.gz ZBQOTARJCQFINI-VIFPVBQESA-N -1 0 311.294 1.545 20 5 DDBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC(C)(C)C)n1 ZINC000599242369 357860618 /nfs/dbraw/zinc/86/06/18/357860618.db2.gz UMJQHOSXLBKOHA-UHFFFAOYSA-N -1 0 304.372 1.433 20 5 DDBDRM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599247190 357861504 /nfs/dbraw/zinc/86/15/04/357861504.db2.gz CHVHWJJTKGKHAO-DTWKUNHWSA-N -1 0 304.372 1.431 20 5 DDBDRM CC(C)C1(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599256051 357864288 /nfs/dbraw/zinc/86/42/88/357864288.db2.gz QIACYXSIJCPPCU-UHFFFAOYSA-N -1 0 302.356 1.043 20 5 DDBDRM CC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCCC1 ZINC000599322690 357893097 /nfs/dbraw/zinc/89/30/97/357893097.db2.gz UGAGLGGVTFYTKC-SNVBAGLBSA-N -1 0 316.383 1.575 20 5 DDBDRM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000599411089 357925784 /nfs/dbraw/zinc/92/57/84/357925784.db2.gz VDAOLUQAINTPDI-JTQLQIEISA-N -1 0 317.367 1.065 20 5 DDBDRM CCC[C@H]1C(=O)NCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000179699591 199073732 /nfs/dbraw/zinc/07/37/32/199073732.db2.gz ZONFVWNQETVSCD-NSHDSACASA-N -1 0 307.306 1.041 20 5 DDBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CO[C@@H](C3CC3)C2)n1 ZINC000600679244 358281110 /nfs/dbraw/zinc/28/11/10/358281110.db2.gz UGLRCAZRJHTYOS-MWLCHTKSSA-N -1 0 307.306 1.976 20 5 DDBDRM O=C([O-])[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCCC1 ZINC000600876626 358335454 /nfs/dbraw/zinc/33/54/54/358335454.db2.gz NOMZQLILNNYLOD-LLVKDONJSA-N -1 0 309.322 1.934 20 5 DDBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCO[C@H](C(F)F)CC1 ZINC000601814878 358702907 /nfs/dbraw/zinc/70/29/07/358702907.db2.gz HQXZZYRQNWTFCV-NSHDSACASA-N -1 0 316.260 1.797 20 5 DDBDRM O=C(NC[C@@H](CO)Cc1ccco1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000603551129 359656912 /nfs/dbraw/zinc/65/69/12/359656912.db2.gz CBSAGLIQJNUFDZ-JTQLQIEISA-N -1 0 320.301 1.474 20 5 DDBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000237525143 202271371 /nfs/dbraw/zinc/27/13/71/202271371.db2.gz ZYMZZBLJQRIPKC-CQSZACIVSA-N -1 0 307.306 1.330 20 5 DDBDRM Cc1ccsc1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262053 360403002 /nfs/dbraw/zinc/40/30/02/360403002.db2.gz VXBLUKCQIZDZNX-UHFFFAOYSA-N -1 0 313.360 1.838 20 5 DDBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H](n2ccnc2)C1 ZINC000610879647 360559927 /nfs/dbraw/zinc/55/99/27/360559927.db2.gz ODWBXYRDTWWYIL-LLVKDONJSA-N -1 0 316.317 1.974 20 5 DDBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H](CO)CC1CC1 ZINC000611109883 360624929 /nfs/dbraw/zinc/62/49/29/360624929.db2.gz JMUMHHDOAXWDLI-VIFPVBQESA-N -1 0 318.326 1.173 20 5 DDBDRM C[C@H](C[S@](C)=O)N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000281291790 216215835 /nfs/dbraw/zinc/21/58/35/216215835.db2.gz QWQSTLKNHAFZDF-SQFXPLBJSA-N -1 0 300.336 1.139 20 5 DDBDRM COC(=O)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000612566562 361067666 /nfs/dbraw/zinc/06/76/66/361067666.db2.gz CPCKZSNCVWZGJH-UHFFFAOYSA-N -1 0 317.257 1.734 20 5 DDBDRM Cc1nn(CCC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000194475759 201234724 /nfs/dbraw/zinc/23/47/24/201234724.db2.gz RVXWLWPAAARYHR-WDEREUQCSA-N -1 0 324.337 1.168 20 5 DDBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000619253107 363946670 /nfs/dbraw/zinc/94/66/70/363946670.db2.gz SJDUPWFNCUOSEF-RYUDHWBXSA-N -1 0 323.324 1.559 20 5 DDBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccn1 ZINC000619506938 364044577 /nfs/dbraw/zinc/04/45/77/364044577.db2.gz JEEQQQLYUFKBLY-UHFFFAOYSA-N -1 0 309.303 1.799 20 5 DDBDRM CCC[C@H](O)[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566293325 304140119 /nfs/dbraw/zinc/14/01/19/304140119.db2.gz NYHKXGUGIORDSG-NEPJUHHUSA-N -1 0 312.322 1.535 20 5 DDBDRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000262049808 203184882 /nfs/dbraw/zinc/18/48/82/203184882.db2.gz FICNRBUIEWISBZ-NWDGAFQWSA-N -1 0 324.337 1.331 20 5 DDBDRM CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000275084997 212112110 /nfs/dbraw/zinc/11/21/10/212112110.db2.gz NXVIEESGINITDK-ZETCQYMHSA-N -1 0 322.726 1.390 20 5 DDBDRM O=C([O-])C1(NC(=O)c2cccc([N+](=O)[O-])c2)CCSCC1 ZINC000262085806 203193239 /nfs/dbraw/zinc/19/32/39/203193239.db2.gz FDVSFRAZQGYCPL-UHFFFAOYSA-N -1 0 310.331 1.675 20 5 DDBDRM C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000262182428 203221994 /nfs/dbraw/zinc/22/19/94/203221994.db2.gz QYJBKWVINYAGMY-SNVBAGLBSA-N -1 0 309.322 1.624 20 5 DDBDRM COC[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000262358697 203272631 /nfs/dbraw/zinc/27/26/31/203272631.db2.gz CSPGMTUWIVFWLX-SECBINFHSA-N -1 0 308.290 1.402 20 5 DDBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000262467098 203301454 /nfs/dbraw/zinc/30/14/54/203301454.db2.gz RPDIUQIEUKDBIR-LBPRGKRZSA-N -1 0 304.302 1.922 20 5 DDBDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000262564293 203332322 /nfs/dbraw/zinc/33/23/22/203332322.db2.gz WHJYNNBNDLGXJQ-CQSZACIVSA-N -1 0 308.290 1.158 20 5 DDBDRM CC(=O)C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274855877 211986273 /nfs/dbraw/zinc/98/62/73/211986273.db2.gz SDNQCUFSZPRMAL-LLVKDONJSA-N -1 0 308.290 1.121 20 5 DDBDRM CNC(=O)C[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566682050 304176124 /nfs/dbraw/zinc/17/61/24/304176124.db2.gz YYBQCXIJQMPPIG-ZCFIWIBFSA-N -1 0 315.713 1.208 20 5 DDBDRM C[C@@](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])C1CC1 ZINC000314497391 248844241 /nfs/dbraw/zinc/84/42/41/248844241.db2.gz QBWQMNPFQQHGJB-NOKKCYSASA-N -1 0 304.302 1.978 20 5 DDBDRM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)ccc1[N+](=O)[O-] ZINC000043503605 183367522 /nfs/dbraw/zinc/36/75/22/183367522.db2.gz RULDLWQSHLBYTI-CYBMUJFWSA-N -1 0 310.331 1.593 20 5 DDBDRM O=C([O-])[C@H](CC1CC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000284918319 218234304 /nfs/dbraw/zinc/23/43/04/218234304.db2.gz BQWPRVFOZHBINJ-NSHDSACASA-N -1 0 314.319 1.126 20 5 DDBDRM C[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567506685 304224704 /nfs/dbraw/zinc/22/47/04/304224704.db2.gz ZIWMPYYPDPQQOS-APPZFPTMSA-N -1 0 314.319 1.227 20 5 DDBDRM CCOC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000269054908 207205445 /nfs/dbraw/zinc/20/54/45/207205445.db2.gz OVHUOMFOYFNCMV-NSHDSACASA-N -1 0 322.317 1.716 20 5 DDBDRM CS(=O)(=O)CCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000063015155 184266822 /nfs/dbraw/zinc/26/68/22/184266822.db2.gz IEXZZRLUVWNVFP-UHFFFAOYSA-N -1 0 303.292 1.107 20 5 DDBDRM CNC(=O)CC1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000119112184 194976741 /nfs/dbraw/zinc/97/67/41/194976741.db2.gz VLNMRUGUBIINGN-UHFFFAOYSA-N -1 0 321.333 1.289 20 5 DDBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H](CO)C1CC1 ZINC000352559888 285141286 /nfs/dbraw/zinc/14/12/86/285141286.db2.gz LIBMOJREONSFSM-VIFPVBQESA-N -1 0 318.326 1.031 20 5 DDBDRM COC(=O)c1cc(NC(=O)C2(C(=O)[O-])CC2)cc([N+](=O)[O-])c1 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602912574 /nfs/dbraw/zinc/91/25/74/602912574.db2.gz PCRQKLSZVGDGQB-VIFPVBQESA-N -1 0 309.278 1.476 20 5 DDBDRM C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1C(=O)[O-] ZINC000739169750 602947836 /nfs/dbraw/zinc/94/78/36/602947836.db2.gz RUWCFFQQJJYDKT-MRVPVSSYSA-N -1 0 308.294 1.001 20 5 DDBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[C@H]1NC(=O)[O-] ZINC000739166067 603371316 /nfs/dbraw/zinc/37/13/16/603371316.db2.gz NNPOMHPXRLENFE-PSASIEDQSA-N -1 0 310.310 1.052 20 5 DDBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCCN(C(=O)[O-])C2CC2)c1 ZINC000740153887 603409891 /nfs/dbraw/zinc/40/98/91/603409891.db2.gz UGUXDJOFDHQSQG-UHFFFAOYSA-N -1 0 307.306 1.775 20 5 DDBDRM CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)NC(=O)[O-] ZINC000738788919 603414103 /nfs/dbraw/zinc/41/41/03/603414103.db2.gz HKVKMXRHLKLBGY-ZETCQYMHSA-N -1 0 301.324 1.678 20 5 DDBDRM Nc1ccc(C(=O)O[C@@H]2CCC[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000831261455 603511006 /nfs/dbraw/zinc/51/10/06/603511006.db2.gz XBKLIEXCSHVNQK-BXKDBHETSA-N -1 0 323.305 1.770 20 5 DDBDRM CN(C(=O)[O-])[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000827871952 603551541 /nfs/dbraw/zinc/55/15/41/603551541.db2.gz UPIHPHVNHGKZJY-VIFPVBQESA-N -1 0 308.294 1.001 20 5 DDBDRM CC[C@H](NC(=O)NCCNC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000826613698 603639406 /nfs/dbraw/zinc/63/94/06/603639406.db2.gz PBXWLBGGVJNZGE-NSHDSACASA-N -1 0 310.310 1.613 20 5 DDBDRM CC(C)(NC(=O)CCCNC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000824020171 603785883 /nfs/dbraw/zinc/78/58/83/603785883.db2.gz FEGMCGOBGATDHZ-UHFFFAOYSA-N -1 0 309.322 1.994 20 5 DDBDRM CN(CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000828324089 603852363 /nfs/dbraw/zinc/85/23/63/603852363.db2.gz JTDACNDIYFRVKL-UHFFFAOYSA-N -1 0 324.337 1.739 20 5 DDBDRM O=C([O-])N[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000740597400 604368080 /nfs/dbraw/zinc/36/80/80/604368080.db2.gz ZAINUAVXEPSBKW-LLVKDONJSA-N -1 0 323.305 1.303 20 5 DDBDRM CNC(=O)[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000830979403 604463315 /nfs/dbraw/zinc/46/33/15/604463315.db2.gz VEZJQBNXGQCXLM-BRLPQQTGSA-N -1 0 321.333 1.875 20 5 DDBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739616240 604490586 /nfs/dbraw/zinc/49/05/86/604490586.db2.gz INSGICRILZHHPV-SECBINFHSA-N -1 0 322.321 1.143 20 5 DDBDRM CN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CCN(C(=O)[O-])CC1 ZINC000827938856 604833532 /nfs/dbraw/zinc/83/35/32/604833532.db2.gz RLODZUVQLGMFST-UHFFFAOYSA-N -1 0 308.294 1.204 20 5 DDBDRM C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCN1C ZINC000833589347 604838840 /nfs/dbraw/zinc/83/88/40/604838840.db2.gz VMUCCUFFPCHBDN-ZJUUUORDSA-N -1 0 321.333 1.458 20 5 DDBDRM CC(C)c1n[nH]c(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC000827097101 604904483 /nfs/dbraw/zinc/90/44/83/604904483.db2.gz BYJDCNCTVRXDLH-ZDUSSCGKSA-N -1 0 310.310 1.424 20 5 DDBDRM C[C@@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)c1cccc([N+](=O)[O-])c1 ZINC000825570842 605066374 /nfs/dbraw/zinc/06/63/74/605066374.db2.gz LMUKWUOVRFXXIO-BXKDBHETSA-N -1 0 324.289 1.578 20 5 DDBDRM C[C@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(C(=O)[O-])o1 ZINC000833533374 605076972 /nfs/dbraw/zinc/07/69/72/605076972.db2.gz YRAHQMAPTXJHNQ-LURJTMIESA-N -1 0 321.245 1.781 20 5 DDBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC000787937420 605295448 /nfs/dbraw/zinc/29/54/48/605295448.db2.gz YVVRVILAWBAPBV-ZETCQYMHSA-N -1 0 320.298 1.041 20 5 DDBDRM O=C([O-])N[C@H](CC(F)F)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000834139626 605323020 /nfs/dbraw/zinc/32/30/20/605323020.db2.gz XVZFQKGWPRWKNP-ZCFIWIBFSA-N -1 0 324.261 1.991 20 5 DDBDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000834170773 605547435 /nfs/dbraw/zinc/54/74/35/605547435.db2.gz QFBGKTCQEULXMO-NWDGAFQWSA-N -1 0 321.333 1.690 20 5 DDBDRM CN(CC(C)(C)CNC(=O)[O-])C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000833870669 605696946 /nfs/dbraw/zinc/69/69/46/605696946.db2.gz LOJHJPYFFNGSRR-UHFFFAOYSA-N -1 0 324.337 1.543 20 5 DDBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1CN(C(=O)[O-])C1 ZINC000833907503 605764706 /nfs/dbraw/zinc/76/47/06/605764706.db2.gz KQLSKYCYWRDTMA-UHFFFAOYSA-N -1 0 322.321 1.943 20 5 DDBDRM Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCCCN2C(=O)[O-])n1 ZINC000833951401 605774903 /nfs/dbraw/zinc/77/49/03/605774903.db2.gz VRPMSBYEUDMSJT-QMMMGPOBSA-N -1 0 312.282 1.018 20 5 DDBDRM O=C([O-])Nc1cnc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000834278336 606022353 /nfs/dbraw/zinc/02/23/53/606022353.db2.gz GWCPFZBGUDCKJB-UHFFFAOYSA-N -1 0 321.224 1.866 20 5 DDBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826451347 608166903 /nfs/dbraw/zinc/16/69/03/608166903.db2.gz BVEIVRORUJOSNI-UHFFFAOYSA-N -1 0 315.249 1.061 20 5 DDBDRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000797110865 699994252 /nfs/dbraw/zinc/99/42/52/699994252.db2.gz LCTOZGFLRKNKCT-SECBINFHSA-N -1 0 315.351 1.621 20 5 DDBDRM Cc1cc(C)nc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000120151962 696691273 /nfs/dbraw/zinc/69/12/73/696691273.db2.gz QZMDSAYSGLLVKM-UHFFFAOYSA-N -1 0 314.348 1.864 20 5 DDBDRM C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccco1 ZINC000173702492 697380844 /nfs/dbraw/zinc/38/08/44/697380844.db2.gz YYPCEGJTVCCXBZ-AWEZNQCLSA-N -1 0 306.274 1.531 20 5 DDBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnc(Cl)cn2)cc1 ZINC000190388938 697590952 /nfs/dbraw/zinc/59/09/52/697590952.db2.gz UFVSYWPSFDMYSX-UHFFFAOYSA-N -1 0 314.710 1.839 20 5 DDBDRM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)[N-]O[C@H]1CCCCO1 ZINC000749620395 700174126 /nfs/dbraw/zinc/17/41/26/700174126.db2.gz RXVGAVRLRVCPHW-AWEZNQCLSA-N -1 0 320.305 1.519 20 5 DDBDRM Cc1cccnc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000750674946 700238788 /nfs/dbraw/zinc/23/87/88/700238788.db2.gz NHSWPORBAWQUOT-UHFFFAOYSA-N -1 0 321.314 1.417 20 5 DDBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000800920168 700254859 /nfs/dbraw/zinc/25/48/59/700254859.db2.gz JFHJKTSHOPFGCP-HTRCEHHLSA-N -1 0 320.348 1.140 20 5 DDBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H](F)C(C)C ZINC000784489785 698942517 /nfs/dbraw/zinc/94/25/17/698942517.db2.gz OMXIHUITYYANPH-LLVKDONJSA-N -1 0 318.326 1.702 20 5 DDBDRM O=C([O-])[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000788315618 699302003 /nfs/dbraw/zinc/30/20/03/699302003.db2.gz XRXPVFGLZNTASN-LBPRGKRZSA-N -1 0 316.273 1.937 20 5 DDBDRM CCCS(=O)(=O)[N-]C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000739191309 699771403 /nfs/dbraw/zinc/77/14/03/699771403.db2.gz GUSWORCLCUZJAN-UHFFFAOYSA-N -1 0 311.319 1.546 20 5 DDBDRM O=C([O-])[C@H](CC1CC1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000794767525 699829397 /nfs/dbraw/zinc/82/93/97/699829397.db2.gz QDKKWTGVOAIZSP-QMMMGPOBSA-N -1 0 320.348 1.188 20 5 DDBDRM CO[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC000796455860 699934603 /nfs/dbraw/zinc/93/46/03/699934603.db2.gz TWLKNQZQHXKGGT-VIFPVBQESA-N -1 0 308.212 1.608 20 5 DDBDRM O=C(Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)C1CCCC1 ZINC000754743392 700524010 /nfs/dbraw/zinc/52/40/10/700524010.db2.gz IMRZLEIXCLLTAZ-UHFFFAOYSA-N -1 0 312.347 1.526 20 5 DDBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)C1CCCC1 ZINC000754751871 700524304 /nfs/dbraw/zinc/52/43/04/700524304.db2.gz FAMNRFDCIAGUQY-UHFFFAOYSA-N -1 0 312.347 1.526 20 5 DDBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC23CCC3)ccc1[N+](=O)[O-] ZINC000759857931 700777756 /nfs/dbraw/zinc/77/77/56/700777756.db2.gz OYZKCWMEJUXJKH-LLVKDONJSA-N -1 0 324.358 1.898 20 5 DDBDRM O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000830908252 706600676 /nfs/dbraw/zinc/60/06/76/706600676.db2.gz ZGKLORAWHHIGBE-MRVPVSSYSA-N -1 0 320.284 1.267 20 5 DDBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cnnn1C ZINC000808565212 701524451 /nfs/dbraw/zinc/52/44/51/701524451.db2.gz UPXRYFKTODMXAX-UHFFFAOYSA-N -1 0 311.323 1.141 20 5 DDBDRM O=C(Nn1c(=O)[n-][nH]c1=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000816733741 702169170 /nfs/dbraw/zinc/16/91/70/702169170.db2.gz KAVGDCXYZNLTLC-UHFFFAOYSA-N -1 0 321.274 1.196 20 5 DDBDRM CCC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000813066688 702282334 /nfs/dbraw/zinc/28/23/34/702282334.db2.gz CFDSYIRMDNYHRF-VXNVDRBHSA-N -1 0 318.376 1.897 20 5 DDBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000817864640 702504202 /nfs/dbraw/zinc/50/42/02/702504202.db2.gz BIANSDPBKYZJDZ-UWVGGRQHSA-N -1 0 321.333 1.501 20 5 DDBDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842366662 702709285 /nfs/dbraw/zinc/70/92/85/702709285.db2.gz CXPSGJPMJLUWDS-UTUOFQBUSA-N -1 0 312.347 1.249 20 5 DDBDRM COC[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000844209514 702992262 /nfs/dbraw/zinc/99/22/62/702992262.db2.gz GHLYXZRRUXQUTA-LLVKDONJSA-N -1 0 310.306 1.074 20 5 DDBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000846715504 703323349 /nfs/dbraw/zinc/32/33/49/703323349.db2.gz WKQMKYYNKCRGQQ-SNVBAGLBSA-N -1 0 311.250 1.438 20 5 DDBDRM O=C(C=C1CCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 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ZINC000738335605 600187820 /nfs/dbraw/zinc/18/78/20/600187820.db2.gz LVGBJYCIGCVLRU-UHFFFAOYSA-N -1 0 304.262 1.587 20 5 DDBDRM O=C([O-])c1cc(NC(=O)COC2CCOCC2)cc([N+](=O)[O-])c1 ZINC000739322833 600190477 /nfs/dbraw/zinc/19/04/77/600190477.db2.gz WBCHSTNHYCXXSD-UHFFFAOYSA-N -1 0 324.289 1.427 20 5 DDBDRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000736386637 600212584 /nfs/dbraw/zinc/21/25/84/600212584.db2.gz ZHQCXVBBSBBYCO-SECBINFHSA-N -1 0 302.308 1.992 20 5 DDBDRM CCOC(=O)c1ccnc(S[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000737154632 600361684 /nfs/dbraw/zinc/36/16/84/600361684.db2.gz FUQULEXMCKQDJE-ZCFIWIBFSA-N -1 0 300.292 1.732 20 5 DDBDRM O=C([O-])CCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000036238929 600631972 /nfs/dbraw/zinc/63/19/72/600631972.db2.gz MOPNVOBGVUFMEA-UHFFFAOYSA-N -1 0 322.302 1.716 20 5 DDBDRM Cc1cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC000263050211 600774028 /nfs/dbraw/zinc/77/40/28/600774028.db2.gz KTVNMWSMXUHPPD-JTQLQIEISA-N -1 0 323.349 1.962 20 5 DDBDRM CC(C)C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000261655488 600916558 /nfs/dbraw/zinc/91/65/58/600916558.db2.gz FTFQUGOHDOBKDR-NSHDSACASA-N -1 0 324.333 1.837 20 5 DDBDRM CC(C)(C)[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)[O-] ZINC000736244371 601013289 /nfs/dbraw/zinc/01/32/89/601013289.db2.gz YVRDPMICDKLJSQ-NSHDSACASA-N -1 0 324.289 1.553 20 5 DDBDRM O=C([O-])[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000833122903 601098344 /nfs/dbraw/zinc/09/83/44/601098344.db2.gz QYWXLZWFPJVZGY-GFCCVEGCSA-N -1 0 323.236 1.300 20 5 DDBDRM C/C(=C\COC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000825764459 601428829 /nfs/dbraw/zinc/42/88/29/601428829.db2.gz FHASPXNWPNEMCM-JXMROGBWSA-N -1 0 308.290 1.605 20 5 DDBDRM Cc1nn(CCC(=O)N[C@@H](CC(=O)[O-])C2CC2)c(C)c1[N+](=O)[O-] ZINC000767074195 601524532 /nfs/dbraw/zinc/52/45/32/601524532.db2.gz OEXPOVJLKJLPGG-NSHDSACASA-N -1 0 324.337 1.168 20 5 DDBDRM Cc1cc(N(C)CC(=O)NC(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889744 601545596 /nfs/dbraw/zinc/54/55/96/601545596.db2.gz SOYDCUNCHYJRKX-UHFFFAOYSA-N -1 0 309.322 1.562 20 5 DDBDRM O=C([O-])[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000833123252 601590724 /nfs/dbraw/zinc/59/07/24/601590724.db2.gz MJSUQYYQUZAGIN-SNVBAGLBSA-N -1 0 309.234 1.096 20 5 DDBDRM O=C([O-])[C@]1(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCOC1 ZINC000833127594 601768341 /nfs/dbraw/zinc/76/83/41/601768341.db2.gz JDPSARIRQVZLTB-AWEZNQCLSA-N -1 0 319.273 1.050 20 5 DDBDRM Cn1cnc([N+](=O)[O-])c1NCc1ccc(CCNC(=O)[O-])cc1 ZINC000740297356 601921654 /nfs/dbraw/zinc/92/16/54/601921654.db2.gz UGTZSDYYZSQBPQ-UHFFFAOYSA-N -1 0 319.321 1.751 20 5 DDBDRM O=C([O-])N(CCNC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000740376581 602028606 /nfs/dbraw/zinc/02/86/06/602028606.db2.gz ICUKXTNJZHHKPW-UHFFFAOYSA-N -1 0 322.321 1.265 20 5 DDBDRM Nc1ccc(C(=O)O[C@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000740340015 602233773 /nfs/dbraw/zinc/23/37/73/602233773.db2.gz CCEGNMIMGJKNHU-VIFPVBQESA-N -1 0 309.278 1.476 20 5 DDBDRM COc1ccc(C(=O)NC(C)(C)CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000739885242 602310626 /nfs/dbraw/zinc/31/06/26/602310626.db2.gz WICTWLJZHADSBV-UHFFFAOYSA-N -1 0 311.294 1.379 20 5 DDBDRM O=C([O-])NCCCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000740652417 602374713 /nfs/dbraw/zinc/37/47/13/602374713.db2.gz NXRFKRWKFOIGQU-UHFFFAOYSA-N -1 0 322.321 1.557 20 5 DDBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000740152778 602489333 /nfs/dbraw/zinc/48/93/33/602489333.db2.gz KUGOSYUCLMPGAG-NSHDSACASA-N -1 0 321.333 1.975 20 5 DDBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000740095398 602587760 /nfs/dbraw/zinc/58/77/60/602587760.db2.gz APIVLRKCQBEPQL-NSHDSACASA-N -1 0 307.306 1.775 20 5 DDBDRM CCOc1ccc(C(=O)O[C@@H]2CCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000739498851 602677609 /nfs/dbraw/zinc/67/76/09/602677609.db2.gz UGTAMFUYMCYPPH-SNVBAGLBSA-N -1 0 324.289 1.903 20 5 DDBDRM O=C([O-])N1CC[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000740448144 602815685 /nfs/dbraw/zinc/81/56/85/602815685.db2.gz OYSPRYCDLYTNMG-NSHDSACASA-N -1 0 307.306 1.253 20 5 DDBDRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000740570126 602945397 /nfs/dbraw/zinc/94/53/97/602945397.db2.gz CEKKEWMOWGXGSA-NEPJUHHUSA-N -1 0 319.317 1.920 20 5 DDBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739715012 602952370 /nfs/dbraw/zinc/95/23/70/602952370.db2.gz MYPYIQKLETZGSZ-VXGBXAGGSA-N -1 0 321.333 1.990 20 5 DDBDRM O=C([O-])NC1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000740553572 603064273 /nfs/dbraw/zinc/06/42/73/603064273.db2.gz ABHKTIJBTSIGSY-UHFFFAOYSA-N -1 0 321.333 1.832 20 5 DDBDRM O=C([O-])NC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000740609717 603074664 /nfs/dbraw/zinc/07/46/64/603074664.db2.gz YKWLIBHKDNCZJI-LLVKDONJSA-N -1 0 308.294 1.763 20 5 DDBDRM C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739141015 603341820 /nfs/dbraw/zinc/34/18/20/603341820.db2.gz WUDGDCQWOGKZQX-JQWIXIFHSA-N -1 0 321.333 1.642 20 5 DDBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)c1 ZINC000829510868 603525255 /nfs/dbraw/zinc/52/52/55/603525255.db2.gz PVEWTDKLXYABEF-VIFPVBQESA-N -1 0 323.305 1.428 20 5 DDBDRM O=C([O-])N[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000832365739 603568099 /nfs/dbraw/zinc/56/80/99/603568099.db2.gz MPMUGJTZSJUGCB-VIFPVBQESA-N -1 0 320.305 1.968 20 5 DDBDRM Cc1ccnc(N2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000830606916 604452426 /nfs/dbraw/zinc/45/24/26/604452426.db2.gz GIRUTBKBTPTRPP-ZJUUUORDSA-N -1 0 310.310 1.160 20 5 DDBDRM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CN(C(=O)[O-])C1 ZINC000826979367 604629972 /nfs/dbraw/zinc/62/99/72/604629972.db2.gz GCKWTYNBGRZZLO-UHFFFAOYSA-N -1 0 307.306 1.348 20 5 DDBDRM O=C([O-])N1CCC(CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000831652727 604846849 /nfs/dbraw/zinc/84/68/49/604846849.db2.gz CWUGZDVFFGYZQN-UHFFFAOYSA-N -1 0 308.294 1.110 20 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605494665 /nfs/dbraw/zinc/49/46/65/605494665.db2.gz HRQWFLFPFUCXFT-VHSXEESVSA-N -1 0 319.321 1.725 20 5 DDBDRM O=C([O-])N1CC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000834029406 605547466 /nfs/dbraw/zinc/54/74/66/605547466.db2.gz SBPSJVJBDAIJTH-MRVPVSSYSA-N -1 0 311.269 1.464 20 5 DDBDRM O=C([O-])N[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000740602158 605907463 /nfs/dbraw/zinc/90/74/63/605907463.db2.gz WINLSFAVUCBRBP-JTQLQIEISA-N -1 0 302.290 1.989 20 5 DDBDRM O=C([O-])N[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000834149636 605940148 /nfs/dbraw/zinc/94/01/48/605940148.db2.gz HETYCDPDPSDZSJ-LBPRGKRZSA-N -1 0 317.305 1.996 20 5 DDBDRM COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](N(C)C(=O)[O-])C2)c1 ZINC000833881053 605947142 /nfs/dbraw/zinc/94/71/42/605947142.db2.gz SUZWZBUCCXRGKE-JTQLQIEISA-N -1 0 323.305 1.570 20 5 DDBDRM O=C(COc1cccc([N+](=O)[O-])c1)O[C@H]1CCCN(C(=O)[O-])C1 ZINC000740378162 605957820 /nfs/dbraw/zinc/95/78/20/605957820.db2.gz JLDYIXVRIQLBJM-LBPRGKRZSA-N -1 0 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CN(C)c1ncc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001174503049 777503996 /nfs/dbraw/zinc/50/39/96/777503996.db2.gz AETLXDALTNJQKQ-UHFFFAOYSA-N -1 0 303.278 1.893 20 5 DDBDRM N=c1c(N)cnc(Cl)n1-c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503329 777504147 /nfs/dbraw/zinc/50/41/47/777504147.db2.gz KOFVPOPGMNZJDZ-UHFFFAOYSA-N -1 0 309.669 1.194 20 5 DDBDRM COC(=O)N1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001116511364 780517515 /nfs/dbraw/zinc/51/75/15/780517515.db2.gz QBJPQOSRHAKTLK-UHFFFAOYSA-N -1 0 323.305 1.215 20 5 DDBDRM CCOC(=O)C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001116697294 780545492 /nfs/dbraw/zinc/54/54/92/780545492.db2.gz ITLNRBLTYSPDIV-SNVBAGLBSA-N -1 0 322.317 1.858 20 5 DDBDRM CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC001118134767 781040074 /nfs/dbraw/zinc/04/00/74/781040074.db2.gz YADDZJHYHIGLMV-UHFFFAOYSA-N -1 0 300.292 1.124 20 5 DDBDRM O=C(N[C@H]1CCC[C@@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001149513283 861671572 /nfs/dbraw/zinc/67/15/72/861671572.db2.gz LMDRJQIPWPGZLH-WPRPVWTQSA-N -1 0 300.698 1.597 20 5 DDBDRM CC[C@H](NC(=O)CCc1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001137927788 859991830 /nfs/dbraw/zinc/99/18/30/859991830.db2.gz RKPVBKPCWQMYMQ-NSHDSACASA-N -1 0 304.310 1.308 20 5 DDBDRM CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])nc1 ZINC001323770879 866833570 /nfs/dbraw/zinc/83/35/70/866833570.db2.gz HNFJQXWMFMWAST-UHFFFAOYSA-N -1 0 316.273 1.906 20 5 DDBDRM Cc1c(N[C@H]2SC(=O)[N-]C2=O)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163667671 868612370 /nfs/dbraw/zinc/61/23/70/868612370.db2.gz ZFJQCRBCDRHEPA-VIFPVBQESA-N -1 0 312.263 1.532 20 5 DDBDRM O=c1cnnc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[n-]1 ZINC001226169722 882247974 /nfs/dbraw/zinc/24/79/74/882247974.db2.gz IMNXGWBTVNABIQ-VIFPVBQESA-N -1 0 303.278 1.143 20 5 DDBDRM CN(Cc1nc(=O)o[n-]1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001307150347 871402938 /nfs/dbraw/zinc/40/29/38/871402938.db2.gz HRXHHGFMTYQTAY-UHFFFAOYSA-N -1 0 316.220 1.509 20 5 DDBDRM CSc1nc(O[C@H]2CCn3ccnc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624909 883109847 /nfs/dbraw/zinc/10/98/47/883109847.db2.gz INSPNCRDXFYHDI-LURJTMIESA-N -1 0 309.307 1.533 20 5 DDBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1[n-]ncc(=O)c1Cl ZINC001228387200 883474544 /nfs/dbraw/zinc/47/45/44/883474544.db2.gz LPOUTMLBBGDWHF-LURJTMIESA-N -1 0 313.701 1.716 20 5 DDBDRM CC(=O)N1CCC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228604581 883568062 /nfs/dbraw/zinc/56/80/62/883568062.db2.gz VFKNCNVXXXITSZ-SNVBAGLBSA-N -1 0 322.321 1.358 20 5 DDBDRM CC1=C(Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C(=O)O[C@H]1C ZINC001228605024 883571908 /nfs/dbraw/zinc/57/19/08/883571908.db2.gz ZTSQSOBWTTWTHO-LURJTMIESA-N -1 0 307.262 1.566 20 5 DDBDRM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229375777 883950728 /nfs/dbraw/zinc/95/07/28/883950728.db2.gz LTZMIPQODZJGQW-BDAKNGLRSA-N -1 0 311.294 1.509 20 5 DDBDRM COC[C@H](C)OC[C@@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229380823 883951103 /nfs/dbraw/zinc/95/11/03/883951103.db2.gz LOXIUKCRZFHLIG-JGVFFNPUSA-N -1 0 301.299 1.218 20 5 DDBDRM CCCSc1nc(O[C@@H]2CCOC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229796974 884168176 /nfs/dbraw/zinc/16/81/76/884168176.db2.gz PBMSBZFYHISLLB-SSDOTTSWSA-N -1 0 301.324 1.760 20 5 DDBDRM CC(C)(C)N1CC(Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231071881 885184011 /nfs/dbraw/zinc/18/40/11/885184011.db2.gz OCVWPWPDTQKAFL-UHFFFAOYSA-N -1 0 302.718 1.605 20 5 DDBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H](C[N+](=O)[O-])c2cccnc2)[n-]1 ZINC001231260598 885447465 /nfs/dbraw/zinc/44/74/65/885447465.db2.gz UKQBRQUJYZKOSX-NSHDSACASA-N -1 0 320.261 1.796 20 5 DDBDRM CCOC(=O)c1cc(C(=O)N[C@@H](C)CC(=O)[O-])cc([N+](=O)[O-])c1 ZINC001261482647 899601349 /nfs/dbraw/zinc/60/13/49/899601349.db2.gz UOOXQIVNQNNGHJ-QMMMGPOBSA-N -1 0 324.289 1.365 20 5 DDBDRM Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001262902696 900413695 /nfs/dbraw/zinc/41/36/95/900413695.db2.gz MQIMMKZEUBXXSY-ONGXEEELSA-N -1 0 315.333 1.942 20 5 DDBDRM Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1C(N)=O ZINC001293770715 914692465 /nfs/dbraw/zinc/69/24/65/914692465.db2.gz LCZBVKFEATZUFE-UHFFFAOYSA-N -1 0 315.285 1.960 20 5 DDBDRM CC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000295577798 529561093 /nfs/dbraw/zinc/56/10/93/529561093.db2.gz WHYYAKICWDCNAB-VHSXEESVSA-N -1 0 304.249 1.435 20 5 DDBDRM C/C(=C\Cn1cc(Br)cc([N+](=O)[O-])c1=O)C(=O)[O-] ZINC000088630190 185260476 /nfs/dbraw/zinc/26/04/76/185260476.db2.gz XLTIDQOZYSFVDY-QHHAFSJGSA-N -1 0 317.095 1.550 20 5 DDBDRM CO[C@H]1C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C12CCC2 ZINC000458192448 232275606 /nfs/dbraw/zinc/27/56/06/232275606.db2.gz NMIQUBNVGGTORT-OLZOCXBDSA-N -1 0 306.318 1.988 20 5 DDBDRM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000068466237 190768901 /nfs/dbraw/zinc/76/89/01/190768901.db2.gz DJOQPDFUIWJILU-RKDXNWHRSA-N -1 0 309.322 1.333 20 5 DDBDRM COc1cc([C@H]2NC(=O)CN2CC(C)C)cc([N+](=O)[O-])c1[O-] ZINC000077474337 353471152 /nfs/dbraw/zinc/47/11/52/353471152.db2.gz JPGYIVAWKNYRPS-AWEZNQCLSA-N -1 0 309.322 1.395 20 5 DDBDRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000355792348 291008494 /nfs/dbraw/zinc/00/84/94/291008494.db2.gz OHLXORLDQVTMGQ-UHFFFAOYSA-N -1 0 314.261 1.666 20 5 DDBDRM COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1C ZINC000279956294 354419424 /nfs/dbraw/zinc/41/94/24/354419424.db2.gz NFPKOHNIVCMBPM-PSASIEDQSA-N -1 0 308.290 1.182 20 5 DDBDRM O=C(Nc1nc(CCO)cs1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000590391445 355083199 /nfs/dbraw/zinc/08/31/99/355083199.db2.gz ATNIGECMFWVDQL-UHFFFAOYSA-N -1 0 309.303 1.544 20 5 DDBDRM O=C([O-])CC1(NC(=O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000262311061 304043896 /nfs/dbraw/zinc/04/38/96/304043896.db2.gz PSUJECDAXLGRHQ-UHFFFAOYSA-N -1 0 308.290 1.487 20 5 DDBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000591785478 355385345 /nfs/dbraw/zinc/38/53/45/355385345.db2.gz NGERCHNZVVAVLH-SSDLBLMSSA-N -1 0 308.212 1.342 20 5 DDBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CO[C@H](C)C1 ZINC000592106352 355501094 /nfs/dbraw/zinc/50/10/94/355501094.db2.gz DPNDIDOZNIDTNR-ZJUUUORDSA-N -1 0 300.336 1.359 20 5 DDBDRM O=C([O-])c1cc(NCc2nnc3n2CCOC3)ccc1[N+](=O)[O-] ZINC000592979427 355762015 /nfs/dbraw/zinc/76/20/15/355762015.db2.gz WZDRLVXIRVINDI-UHFFFAOYSA-N -1 0 319.277 1.027 20 5 DDBDRM C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000594546690 356247276 /nfs/dbraw/zinc/24/72/76/356247276.db2.gz VANWHWQNPJUKGR-QMMMGPOBSA-N -1 0 307.306 1.620 20 5 DDBDRM Cn1ncc(C2CC2)c1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000594696567 356287692 /nfs/dbraw/zinc/28/76/92/356287692.db2.gz QLRRESWQCLGUOF-PLNGDYQASA-N -1 0 303.278 1.577 20 5 DDBDRM C[C@@]12COC[C@]1(C)CN(c1nc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000594736240 356301588 /nfs/dbraw/zinc/30/15/88/356301588.db2.gz MUARWWDOGATGCE-OKILXGFUSA-N -1 0 307.306 1.551 20 5 DDBDRM CCn1cc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])nn1 ZINC000594736873 356302540 /nfs/dbraw/zinc/30/25/40/356302540.db2.gz QPBJVBOJOQXYMO-UHFFFAOYSA-N -1 0 305.294 1.825 20 5 DDBDRM CC(C)SCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594777778 356314365 /nfs/dbraw/zinc/31/43/65/356314365.db2.gz BTGUKEOGZHWVOO-UHFFFAOYSA-N -1 0 305.381 1.410 20 5 DDBDRM CC1(C)[C@H](C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C1(F)F ZINC000595350588 356459242 /nfs/dbraw/zinc/45/92/42/356459242.db2.gz FJHAXLFKEFFOGN-QMMMGPOBSA-N -1 0 321.305 1.559 20 5 DDBDRM CC(C)(C(N)=O)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000618240664 363539283 /nfs/dbraw/zinc/53/92/83/363539283.db2.gz RLWZWEXZBHOAKT-UHFFFAOYSA-N -1 0 301.686 1.404 20 5 DDBDRM O=C([O-])[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000596002751 356743194 /nfs/dbraw/zinc/74/31/94/356743194.db2.gz MQZWBZKZFFLZAD-GFCCVEGCSA-N -1 0 306.318 1.754 20 5 DDBDRM O=C([O-])[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])C1CCC1 ZINC000596064449 356758692 /nfs/dbraw/zinc/75/86/92/356758692.db2.gz WHLZSCHIKBHGRR-SECBINFHSA-N -1 0 308.294 1.034 20 5 DDBDRM Cn1[nH]c([C@H]2CCCN2c2ccc(F)cc2[N+](=O)[O-])nc1=N ZINC000596252042 356833028 /nfs/dbraw/zinc/83/30/28/356833028.db2.gz DXQQPIDDGJUUTC-SNVBAGLBSA-N -1 0 306.301 1.616 20 5 DDBDRM O=C([O-])[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000596653665 356943054 /nfs/dbraw/zinc/94/30/54/356943054.db2.gz AZOQFNQYFLQZGV-CYBMUJFWSA-N -1 0 321.333 1.895 20 5 DDBDRM Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000597491264 357194805 /nfs/dbraw/zinc/19/48/05/357194805.db2.gz HWVUWIZUQWLHAH-NXEZZACHSA-N -1 0 302.290 1.776 20 5 DDBDRM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000597550941 357223353 /nfs/dbraw/zinc/22/33/53/357223353.db2.gz AEEZWSQUBKJIGC-KKFJDGPESA-N -1 0 319.317 1.026 20 5 DDBDRM C[C@H]1CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])[C@H]1CCO ZINC000598066607 357452583 /nfs/dbraw/zinc/45/25/83/357452583.db2.gz FMOSXMTZSLBEFS-JQWIXIFHSA-N -1 0 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20 5 DDBDRM Cc1c(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)cccc1[N+](=O)[O-] ZINC000318320770 164030877 /nfs/dbraw/zinc/03/08/77/164030877.db2.gz SGWMAYFXCZFKSB-VXGBXAGGSA-N -1 0 308.290 1.152 20 5 DDBDRM C[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000318815653 164033577 /nfs/dbraw/zinc/03/35/77/164033577.db2.gz VDLYWBBPRFZBOO-QMTHXVAHSA-N -1 0 306.318 1.849 20 5 DDBDRM O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356743109 409564622 /nfs/dbraw/zinc/56/46/22/409564622.db2.gz WOLUPONIAAHSOM-TZMCWYRMSA-N -1 0 319.317 1.087 20 5 DDBDRM CN(C)c1ncc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000356770825 409591176 /nfs/dbraw/zinc/59/11/76/409591176.db2.gz NATKUJCHVIBLNJ-UHFFFAOYSA-N -1 0 303.278 1.409 20 5 DDBDRM CCC(CC)(NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000342561969 409727423 /nfs/dbraw/zinc/72/74/23/409727423.db2.gz INNFGECTDDQOMC-UHFFFAOYSA-N -1 0 320.305 1.844 20 5 DDBDRM CN(C)c1ncc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000355142781 410341820 /nfs/dbraw/zinc/34/18/20/410341820.db2.gz OCQDYOZVIFUBNH-UHFFFAOYSA-N -1 0 303.278 1.409 20 5 DDBDRM Cc1cc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])ccc1F ZINC000347363878 410496120 /nfs/dbraw/zinc/49/61/20/410496120.db2.gz XHRALQTVUHGGKL-UHFFFAOYSA-N -1 0 311.294 1.660 20 5 DDBDRM CCc1ncc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])s1 ZINC000359411921 410645160 /nfs/dbraw/zinc/64/51/60/410645160.db2.gz OBDZOLOQVCIDKO-UHFFFAOYSA-N -1 0 314.348 1.231 20 5 DDBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(O)(C(F)F)CC1 ZINC000331159719 410986010 /nfs/dbraw/zinc/98/60/10/410986010.db2.gz LISJJHRMMLEKAG-UHFFFAOYSA-N -1 0 316.260 1.533 20 5 DDBDRM Cc1c(Br)c(N(C)CCC(=O)[O-])ncc1[N+](=O)[O-] ZINC000131385708 196164552 /nfs/dbraw/zinc/16/45/52/196164552.db2.gz FNKYTOVWRKVQFI-UHFFFAOYSA-N -1 0 318.127 1.972 20 5 DDBDRM CCCC[C@H](NC(N)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000271636764 209082440 /nfs/dbraw/zinc/08/24/40/209082440.db2.gz XYCSCJCCGSDYKF-VIFPVBQESA-N -1 0 310.310 1.466 20 5 DDBDRM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])[nH]n1 ZINC000542792176 416631408 /nfs/dbraw/zinc/63/14/08/416631408.db2.gz GVGJSHBJGIKFMR-UHFFFAOYSA-N -1 0 320.261 1.453 20 5 DDBDRM CC(C)[C@]1(CO)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000366463345 418475984 /nfs/dbraw/zinc/47/59/84/418475984.db2.gz MUQCYOGVVHSWOB-OAHLLOKOSA-N -1 0 308.334 1.781 20 5 DDBDRM O=C(Nc1ncn(-c2ccccn2)n1)c1csc([N+](=O)[O-])c1 ZINC000366699144 418507059 /nfs/dbraw/zinc/50/70/59/418507059.db2.gz UYYXCIXIXJXRLP-UHFFFAOYSA-N -1 0 316.302 1.884 20 5 DDBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)N1CCCCC1 ZINC000194748556 222181499 /nfs/dbraw/zinc/18/14/99/222181499.db2.gz VSYUQPJGIGQJJO-SNVBAGLBSA-N -1 0 321.333 1.431 20 5 DDBDRM Cc1cnc(C[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)o1 ZINC000362628813 418757163 /nfs/dbraw/zinc/75/71/63/418757163.db2.gz WKRSMXMGLUSWKP-UHFFFAOYSA-N -1 0 301.262 2.553 20 5 DDBDRM CC[C@@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000421813705 419743752 /nfs/dbraw/zinc/74/37/52/419743752.db2.gz OOQRBFSSJRUCSN-MRVPVSSYSA-N -1 0 316.335 1.617 20 5 DDBDRM CCCN1C[C@@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1=O ZINC000421924010 419772935 /nfs/dbraw/zinc/77/29/35/419772935.db2.gz TVBUQOQZJIOPDG-SNVBAGLBSA-N -1 0 321.333 1.289 20 5 DDBDRM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])Nc1cccnc1 ZINC000436930672 229541926 /nfs/dbraw/zinc/54/19/26/229541926.db2.gz XNPHTKRWDVBSNZ-UHFFFAOYSA-N -1 0 316.273 1.064 20 5 DDBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332167051 304502711 /nfs/dbraw/zinc/50/27/11/304502711.db2.gz BIJPFGNJZZBZSG-AXFHLTTASA-N -1 0 306.318 1.533 20 5 DDBDRM COCc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cs1 ZINC000436596238 420344422 /nfs/dbraw/zinc/34/44/22/420344422.db2.gz LMOKSDSTTNIDGD-UHFFFAOYSA-N -1 0 323.330 1.833 20 5 DDBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)OC(C)(C)C ZINC000436890875 420380464 /nfs/dbraw/zinc/38/04/64/420380464.db2.gz VRCGKRAQRVJTGE-MRVPVSSYSA-N -1 0 310.306 1.760 20 5 DDBDRM O=C(N[C@@H](CO)Cc1cccnc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436918336 420385650 /nfs/dbraw/zinc/38/56/50/420385650.db2.gz HHMFJUYWHYVSOT-LLVKDONJSA-N -1 0 317.301 1.029 20 5 DDBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000436966710 420386609 /nfs/dbraw/zinc/38/66/09/420386609.db2.gz OWEXKLFZEDMGGX-MRVPVSSYSA-N -1 0 310.306 1.760 20 5 DDBDRM COC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCC1 ZINC000436958337 420387347 /nfs/dbraw/zinc/38/73/47/420387347.db2.gz GSQOXNFLKYAKJY-UHFFFAOYSA-N -1 0 308.290 1.516 20 5 DDBDRM CC(=O)N1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436997088 420390911 /nfs/dbraw/zinc/39/09/11/420390911.db2.gz MOUCQWQQKUSUMU-NSHDSACASA-N -1 0 321.333 1.289 20 5 DDBDRM O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000493556708 420880412 /nfs/dbraw/zinc/88/04/12/420880412.db2.gz OOUZLBQOPCPAOZ-SKMLAUKMSA-N -1 0 308.265 1.727 20 5 DDBDRM O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000561043326 421302858 /nfs/dbraw/zinc/30/28/58/421302858.db2.gz OCPOFCBXXIEEOK-SSDOTTSWSA-N -1 0 307.266 1.031 20 5 DDBDRM COC(=O)c1cc(C(=O)N(C)CCCC(=O)[O-])cc([N+](=O)[O-])c1 ZINC000562850697 421421362 /nfs/dbraw/zinc/42/13/62/421421362.db2.gz DGPFNZFBLSKEGW-UHFFFAOYSA-N -1 0 324.289 1.318 20 5 DDBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCC[C@@H]2CCOC2)n1 ZINC000567902685 421615922 /nfs/dbraw/zinc/61/59/22/421615922.db2.gz WTIPLBWLUBZCCL-SNVBAGLBSA-N -1 0 309.322 2.225 20 5 DDBDRM Cc1cc(NCCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])n(C)n1 ZINC000556794867 421738055 /nfs/dbraw/zinc/73/80/55/421738055.db2.gz VWXAANYFBCAYNT-UHFFFAOYSA-N -1 0 319.321 1.184 20 5 DDBDRM CC(C)(C)c1nnc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])[nH]1 ZINC000581887393 422062281 /nfs/dbraw/zinc/06/22/81/422062281.db2.gz PGKKPNIAEYGOBJ-UHFFFAOYSA-N -1 0 320.309 1.716 20 5 DDBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](CO)CC2)n1 ZINC000575126575 422264655 /nfs/dbraw/zinc/26/46/55/422264655.db2.gz JBFVUZZPLDFKRS-SNVBAGLBSA-N -1 0 309.322 1.595 20 5 DDBDRM CCC(CC)(CO)CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584412177 422298664 /nfs/dbraw/zinc/29/86/64/422298664.db2.gz LWAMSOVTKVDWCP-UHFFFAOYSA-N -1 0 311.338 2.207 20 5 DDBDRM O=C([O-])[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000577760717 422423480 /nfs/dbraw/zinc/42/34/80/422423480.db2.gz NTSWIIYZQBEUIA-SECBINFHSA-N -1 0 304.306 1.768 20 5 DDBDRM CN(C[C@H](O)C(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000180803583 263366213 /nfs/dbraw/zinc/36/62/13/263366213.db2.gz NOUJVQGFNLPORG-QMMMGPOBSA-N -1 0 308.212 1.296 20 5 DDBDRM CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000188996188 279010374 /nfs/dbraw/zinc/01/03/74/279010374.db2.gz ALLOUOOKGOPMOH-GFCCVEGCSA-N -1 0 321.333 1.287 20 5 DDBDRM CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000261607400 280328713 /nfs/dbraw/zinc/32/87/13/280328713.db2.gz DGCCWVAFVGYJGR-VIFPVBQESA-N -1 0 320.298 1.121 20 5 DDBDRM CC(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC000263508879 280600988 /nfs/dbraw/zinc/60/09/88/280600988.db2.gz BUNPOOLDARABBT-HNNXBMFYSA-N -1 0 322.317 1.692 20 5 DDBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000133223773 281488091 /nfs/dbraw/zinc/48/80/91/281488091.db2.gz YWRVTBPEDPYIJN-RKDXNWHRSA-N -1 0 316.335 1.291 20 5 DDBDRM CO[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C12CCC2 ZINC000458192447 293901074 /nfs/dbraw/zinc/90/10/74/293901074.db2.gz NMIQUBNVGGTORT-CHWSQXEVSA-N -1 0 306.318 1.988 20 5 DDBDRM COc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(C)nn1C ZINC000092548866 294888126 /nfs/dbraw/zinc/88/81/26/294888126.db2.gz GIJPITMZUKVGGC-UHFFFAOYSA-N -1 0 306.278 1.603 20 5 DDBDRM COc1cccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000450494667 295284665 /nfs/dbraw/zinc/28/46/65/295284665.db2.gz NSRLUVYEKLIREE-VIFPVBQESA-N -1 0 308.290 1.540 20 5 DDBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332163806 304534549 /nfs/dbraw/zinc/53/45/49/304534549.db2.gz AUYXOUOSGWZNNC-HOSYDEDBSA-N -1 0 306.318 1.533 20 5 DDBDRM O=C([O-])CCCS(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000572997718 304568726 /nfs/dbraw/zinc/56/87/26/304568726.db2.gz KMVOUZZZCKQHNE-UHFFFAOYSA-N -1 0 314.319 1.152 20 5 DDBDRM O=C([O-])[C@H]1CC[C@@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000321614820 298259170 /nfs/dbraw/zinc/25/91/70/298259170.db2.gz ZRYWMMKAMLIABX-JGVFFNPUSA-N -1 0 318.289 1.909 20 5 DDBDRM C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)[O-] ZINC000195164589 298768490 /nfs/dbraw/zinc/76/84/90/298768490.db2.gz KZPLLSGXDSCZQQ-SECBINFHSA-N -1 0 318.289 1.231 20 5 DDBDRM Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(=O)n(C)c1 ZINC000356786925 298874873 /nfs/dbraw/zinc/87/48/73/298874873.db2.gz WDXXBNCJUYBUTQ-UHFFFAOYSA-N -1 0 303.274 1.560 20 5 DDBDRM C[C@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2nccn21 ZINC000456432147 300519948 /nfs/dbraw/zinc/51/99/48/300519948.db2.gz SWPLYOXVMLQYQL-WPRPVWTQSA-N -1 0 302.290 1.933 20 5 DDBDRM 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C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[N-]OCCO ZINC000787284768 699202536 /nfs/dbraw/zinc/20/25/36/699202536.db2.gz LIHJSPWEYMNRRZ-ZETCQYMHSA-N -1 0 304.686 1.056 20 5 DDBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1C=CCC1 ZINC000711769185 699259625 /nfs/dbraw/zinc/25/96/25/699259625.db2.gz SFKGQBCMZILUAI-VIFPVBQESA-N -1 0 300.311 1.978 20 5 DDBDRM COc1cc(C(=O)[N-]S(=O)(=O)C(C)C)cc([N+](=O)[O-])c1C ZINC000791789326 699654481 /nfs/dbraw/zinc/65/44/81/699654481.db2.gz RKXCMZDKZLVYNY-UHFFFAOYSA-N -1 0 316.335 1.380 20 5 DDBDRM CCc1cnc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000795164784 699849856 /nfs/dbraw/zinc/84/98/56/699849856.db2.gz FUKCPODWZGDBJO-UHFFFAOYSA-N -1 0 317.348 1.685 20 5 DDBDRM CCCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000755911370 700591718 /nfs/dbraw/zinc/59/17/18/700591718.db2.gz XTWYKHABJGHCRX-UHFFFAOYSA-N -1 0 304.299 1.729 20 5 DDBDRM CC(C)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000763952987 700954943 /nfs/dbraw/zinc/95/49/43/700954943.db2.gz SGNSXFOGKLPKOC-VIFPVBQESA-N -1 0 300.336 1.553 20 5 DDBDRM CCOC(CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])OCC ZINC000803168252 701086737 /nfs/dbraw/zinc/08/67/37/701086737.db2.gz RLZHFCRORATMSF-UHFFFAOYSA-N -1 0 312.322 1.819 20 5 DDBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nonc1C ZINC000768559469 701186755 /nfs/dbraw/zinc/18/67/55/701186755.db2.gz DXRZSHJCNSASEQ-UHFFFAOYSA-N -1 0 314.279 1.096 20 5 DDBDRM Cc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)on1 ZINC000768809036 701204688 /nfs/dbraw/zinc/20/46/88/701204688.db2.gz FKRLDXVNGPWYPC-UHFFFAOYSA-N -1 0 303.321 1.431 20 5 DDBDRM COC(=O)c1cc(C)[n-]c(=NOC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000804647157 701205731 /nfs/dbraw/zinc/20/57/31/701205731.db2.gz HGTFTLZOUNEZCI-VIFPVBQESA-N -1 0 311.294 1.465 20 5 DDBDRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000839562412 701737167 /nfs/dbraw/zinc/73/71/67/701737167.db2.gz YPCIECQAABRWQI-SECBINFHSA-N -1 0 309.322 1.936 20 5 DDBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CC(=O)[O-] ZINC000841492693 702467272 /nfs/dbraw/zinc/46/72/72/702467272.db2.gz ZPLVLTWCCQRMDQ-UHFFFAOYSA-N -1 0 302.670 1.556 20 5 DDBDRM C[C@H]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000843037014 702806467 /nfs/dbraw/zinc/80/64/67/702806467.db2.gz TUHOTSYMHZHWRP-UWVGGRQHSA-N -1 0 304.306 1.790 20 5 DDBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(C3OCCO3)CC2)n1 ZINC000844207758 702991923 /nfs/dbraw/zinc/99/19/23/702991923.db2.gz FFHIRLOJLKJBTG-UHFFFAOYSA-N -1 0 323.305 1.277 20 5 DDBDRM CCn1nc(C)c(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])n1 ZINC000844216703 702994213 /nfs/dbraw/zinc/99/42/13/702994213.db2.gz UHDNWPRYIQRNTL-UHFFFAOYSA-N -1 0 320.309 1.528 20 5 DDBDRM CCO[N-]C(=O)CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000845713030 703192319 /nfs/dbraw/zinc/19/23/19/703192319.db2.gz BABGWZCFFLYQEH-UHFFFAOYSA-N -1 0 318.127 1.837 20 5 DDBDRM O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000848364928 703543578 /nfs/dbraw/zinc/54/35/78/703543578.db2.gz QKCFDOQSAZKLAC-SNVBAGLBSA-N -1 0 321.289 1.013 20 5 DDBDRM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000851328533 703792564 /nfs/dbraw/zinc/79/25/64/703792564.db2.gz KJWDGNSBUKCEJK-DTWKUNHWSA-N -1 0 313.335 1.231 20 5 DDBDRM CC(F)(F)CCC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000851328011 703792608 /nfs/dbraw/zinc/79/26/08/703792608.db2.gz SMMULBBODGMQJA-UHFFFAOYSA-N -1 0 323.277 1.230 20 5 DDBDRM O=C(CCCC1CC1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000851330225 703792768 /nfs/dbraw/zinc/79/27/68/703792768.db2.gz VWZLWLCJBYVLIL-UHFFFAOYSA-N -1 0 313.335 1.375 20 5 DDBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)CC(F)F)cc1[N+](=O)[O-] ZINC000851359079 703794655 /nfs/dbraw/zinc/79/46/55/703794655.db2.gz XTSXBFDJPDOQBN-UHFFFAOYSA-N -1 0 308.262 1.228 20 5 DDBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CC(F)F ZINC000851363795 703795512 /nfs/dbraw/zinc/79/55/12/703795512.db2.gz IGMXBXOJGPRWPJ-UHFFFAOYSA-N -1 0 322.289 1.536 20 5 DDBDRM COc1cnc(C=Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)[nH]c1=O ZINC000821007234 704358493 /nfs/dbraw/zinc/35/84/93/704358493.db2.gz GECLFLOUFNSOJR-ONEGZZNKSA-N -1 0 319.273 1.984 20 5 DDBDRM C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H](C(=O)[O-])O1 ZINC000863480683 705938051 /nfs/dbraw/zinc/93/80/51/705938051.db2.gz SQQNKEROFFIBNB-XCBNKYQSSA-N -1 0 323.330 1.883 20 5 DDBDRM COc1ccc(CC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000864166094 706086831 /nfs/dbraw/zinc/08/68/31/706086831.db2.gz SXUMWFCJWVVNFI-LLVKDONJSA-N -1 0 320.301 1.436 20 5 DDBDRM O=C([N-]OCCC(F)(F)F)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830018831 706438124 /nfs/dbraw/zinc/43/81/24/706438124.db2.gz XVNHDMDIFIQIKN-SECBINFHSA-N -1 0 308.212 1.628 20 5 DDBDRM COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C(=O)[O-])[C@H](C)C2)c1 ZINC000833880597 707016322 /nfs/dbraw/zinc/01/63/22/707016322.db2.gz JEWJCOQQJBOGBB-SECBINFHSA-N -1 0 323.305 1.570 20 5 DDBDRM COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H](C)NC(=O)[O-])c1 ZINC000833881207 707016356 /nfs/dbraw/zinc/01/63/56/707016356.db2.gz VVYUNBLEOOKLDR-QMMMGPOBSA-N -1 0 311.294 1.840 20 5 DDBDRM COc1ccc(C(=O)C[N-]C(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000867597259 707050107 /nfs/dbraw/zinc/05/01/07/707050107.db2.gz CKWZUNLAMNGATF-UHFFFAOYSA-N -1 0 306.196 1.465 20 5 DDBDRM CC[C@@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])N1CCCC1=O ZINC000837555938 707680086 /nfs/dbraw/zinc/68/00/86/707680086.db2.gz PIUDBJAWGXSPQK-LBPRGKRZSA-N -1 0 322.317 1.745 20 5 DDBDRM CCn1nnc(C)c1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837788281 707745737 /nfs/dbraw/zinc/74/57/37/707745737.db2.gz HTNVLVBJIAYFKS-UHFFFAOYSA-N -1 0 306.278 1.577 20 5 DDBDRM C[C@]1(C2CC2)COCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000890587694 709921803 /nfs/dbraw/zinc/92/18/03/709921803.db2.gz JPZPLLIDBGAEDM-OAHLLOKOSA-N -1 0 306.318 1.942 20 5 DDBDRM C[C@@]1(C2CC2)COCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000890587692 709922085 /nfs/dbraw/zinc/92/20/85/709922085.db2.gz JPZPLLIDBGAEDM-HNNXBMFYSA-N -1 0 306.318 1.942 20 5 DDBDRM O=C(NCC1SCCS1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000693721674 734918147 /nfs/dbraw/zinc/91/81/47/734918147.db2.gz XOLSUQGABQAJCA-UHFFFAOYSA-N -1 0 300.361 1.836 20 5 DDBDRM COC(=O)c1cc(C)nc(NCc2cc(=O)[n-]o2)c1[N+](=O)[O-] ZINC001169484741 762445327 /nfs/dbraw/zinc/44/53/27/762445327.db2.gz XSJSDPYDIBUDPB-UHFFFAOYSA-N -1 0 308.250 1.391 20 5 DDBDRM NC(=O)c1cc(O)cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176679847 778209697 /nfs/dbraw/zinc/20/96/97/778209697.db2.gz PYOBYRABUFEGNM-UHFFFAOYSA-N -1 0 317.257 1.841 20 5 DDBDRM O=C(NCCC[C@H]1CCOC1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001177052143 778412971 /nfs/dbraw/zinc/41/29/71/778412971.db2.gz NDLFGOGBULDOML-VIFPVBQESA-N -1 0 308.290 1.374 20 5 DDBDRM O=C1[N-]C(=O)[C@@H](Nc2cnc3ccc([N+](=O)[O-])cc3n2)S1 ZINC001155836428 862488148 /nfs/dbraw/zinc/48/81/48/862488148.db2.gz DLYAZPWHHHELFJ-JTQLQIEISA-N -1 0 305.275 1.259 20 5 DDBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H]1[C@@H]1CCCOC1 ZINC001124038820 859544665 /nfs/dbraw/zinc/54/46/65/859544665.db2.gz SYVFOMYTUZMTQM-MFKMUULPSA-N -1 0 306.318 1.942 20 5 DDBDRM CCn1cnc2c1CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC001156676141 863255091 /nfs/dbraw/zinc/25/50/91/863255091.db2.gz QGGBOKZFNITYLJ-UHFFFAOYSA-N -1 0 316.317 1.715 20 5 DDBDRM CCC(CC)(NC(=O)Cc1ccccc1[N+](=O)[O-])c1nnn[n-]1 ZINC001297487547 870073478 /nfs/dbraw/zinc/07/34/78/870073478.db2.gz JAKVOMXOFQDPAY-UHFFFAOYSA-N -1 0 318.337 1.482 20 5 DDBDRM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001303085821 871100282 /nfs/dbraw/zinc/10/02/82/871100282.db2.gz ULUCCLYQTAGVJW-CMPLNLGQSA-N -1 0 310.306 1.176 20 5 DDBDRM Cc1ccc(C(=O)N[C@@H](C)c2nn(C)cc2[O-])cc1[N+](=O)[O-] ZINC001304543267 871219428 /nfs/dbraw/zinc/21/94/28/871219428.db2.gz DKAMVBUATPHSMN-VIFPVBQESA-N -1 0 304.306 1.833 20 5 DDBDRM Cc1c[nH]cc1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001317921653 871624982 /nfs/dbraw/zinc/62/49/82/871624982.db2.gz CUHKQXPCSLHARG-UHFFFAOYSA-N -1 0 309.303 1.350 20 5 DDBDRM CCN(CC)S(=O)(=O)[N-]C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001318263446 871892862 /nfs/dbraw/zinc/89/28/62/871892862.db2.gz YTZUARBXZBQTLS-UHFFFAOYSA-N -1 0 315.351 1.220 20 5 DDBDRM CSc1nc(O[C@H]2COc3cnccc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227629795 883114980 /nfs/dbraw/zinc/11/49/80/883114980.db2.gz YYLXZTDGAUCUHY-QMMMGPOBSA-N -1 0 322.302 1.720 20 5 DDBDRM C=CC(=O)OC[C@H](C)Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228242059 883404092 /nfs/dbraw/zinc/40/40/92/883404092.db2.gz KBGBFCIJHGTSHR-QMMMGPOBSA-N -1 0 319.273 1.740 20 5 DDBDRM CCCOC(=O)[C@@H](C)Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243163 883404191 /nfs/dbraw/zinc/40/41/91/883404191.db2.gz VXJUGVJEUSXQDC-MRVPVSSYSA-N -1 0 321.289 1.964 20 5 DDBDRM O=c1[n-]c(C2CC2)nc(O[C@H]2CO[C@H]3OCC[C@@H]23)c1[N+](=O)[O-] ZINC001228602676 883568295 /nfs/dbraw/zinc/56/82/95/883568295.db2.gz DMHVCABPBKROEB-UVPNAGLESA-N -1 0 309.278 1.108 20 5 DDBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2COC[C@H]2F)cc1[O-] ZINC001228810463 883681987 /nfs/dbraw/zinc/68/19/87/883681987.db2.gz KPPIDZBKSWMHDA-RDDDGLTNSA-N -1 0 301.226 1.203 20 5 DDBDRM Cc1nc(O[C@H](C)C(=O)OCCC(C)C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378555 883951162 /nfs/dbraw/zinc/95/11/62/883951162.db2.gz HIMJSMKDBQYEDR-MRVPVSSYSA-N -1 0 313.310 1.755 20 5 DDBDRM CCOC(=O)[C@H]1CC[C@H](Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001229382610 883953015 /nfs/dbraw/zinc/95/30/15/883953015.db2.gz VCBQSLJIXDXEPL-IUCAKERBSA-N -1 0 311.294 1.509 20 5 DDBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)[n-]1 ZINC001231259351 885444032 /nfs/dbraw/zinc/44/40/32/885444032.db2.gz KHGQLNRDKIHVLE-XRNSZHNASA-N -1 0 307.306 1.187 20 5 DDBDRM C[C@H](Cc1ccccc1[N+](=O)[O-])n1[n-]c2ccnc(=O)c-2c1N ZINC001254550023 896499410 /nfs/dbraw/zinc/49/94/10/896499410.db2.gz ZGZGKHLYSRWAAO-SECBINFHSA-N -1 0 313.317 1.970 20 5 DDBDRM CCOC(=O)c1cc(C(=O)N[C@H](C)CC(=O)[O-])cc([N+](=O)[O-])c1 ZINC001261482646 899601106 /nfs/dbraw/zinc/60/11/06/899601106.db2.gz UOOXQIVNQNNGHJ-MRVPVSSYSA-N -1 0 324.289 1.365 20 5 DDBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001261491732 899606025 /nfs/dbraw/zinc/60/60/25/899606025.db2.gz DWWNHEOJHPRJPB-BXKDBHETSA-N -1 0 321.333 1.819 20 5 DDBDRM CCn1cc(S(=O)(=O)NC[C@@H]2C[C@H]2C(C)C)c([N+](=O)[O-])n1 ZINC000451917714 231231532 /nfs/dbraw/zinc/23/15/32/231231532.db2.gz NWGRNSCFANTDHW-UWVGGRQHSA-N -1 0 316.383 1.382 20 5 DDBDRM CC(C)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000087496542 185226829 /nfs/dbraw/zinc/22/68/29/185226829.db2.gz PUILQQQVIKUKRU-SECBINFHSA-N -1 0 316.335 1.230 20 5 DDBDRM Cc1cnccc1CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000153662518 290649909 /nfs/dbraw/zinc/64/99/09/290649909.db2.gz RHOMEGGTPVEILF-UHFFFAOYSA-N -1 0 301.302 1.976 20 5 DDBDRM CCC[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000087502873 185227233 /nfs/dbraw/zinc/22/72/33/185227233.db2.gz JQCNNRUBQMBFIN-SECBINFHSA-N -1 0 316.335 1.374 20 5 DDBDRM CC(C)CO[N-]C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272738518 210143104 /nfs/dbraw/zinc/14/31/04/210143104.db2.gz BXJAMJFIGSKITN-ZDUSSCGKSA-N -1 0 307.306 1.792 20 5 DDBDRM CC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000272646604 210051049 /nfs/dbraw/zinc/05/10/49/210051049.db2.gz FQPRBUGBDDLOPZ-NXEZZACHSA-N -1 0 322.239 1.732 20 5 DDBDRM C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353922646 290879672 /nfs/dbraw/zinc/87/96/72/290879672.db2.gz BJWUBJOMPWEDFN-MWLCHTKSSA-N -1 0 310.306 1.224 20 5 DDBDRM CC(C)(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCOCC1 ZINC000164006488 186145980 /nfs/dbraw/zinc/14/59/80/186145980.db2.gz RLZRKRFHPPXVHV-UHFFFAOYSA-N -1 0 323.349 1.141 20 5 DDBDRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000262909741 186323844 /nfs/dbraw/zinc/32/38/44/186323844.db2.gz NBRVGEKGVFLPRQ-AWEZNQCLSA-N -1 0 324.337 1.141 20 5 DDBDRM O=C(/C=C\C1CC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000491949141 234341735 /nfs/dbraw/zinc/34/17/35/234341735.db2.gz NCONCRMTNICHNW-ARJAWSKDSA-N -1 0 302.333 1.427 20 5 DDBDRM CCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000003069536 180979945 /nfs/dbraw/zinc/97/99/45/180979945.db2.gz FEYRLEVXTOYYRX-JTQLQIEISA-N -1 0 302.308 1.126 20 5 DDBDRM CCCNC(=O)CN(CCC)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000080445268 353608364 /nfs/dbraw/zinc/60/83/64/353608364.db2.gz YFGXDMQSWPNXID-UHFFFAOYSA-N -1 0 323.349 1.679 20 5 DDBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000133193656 354107516 /nfs/dbraw/zinc/10/75/16/354107516.db2.gz AWPAKJOOHBUVDQ-IUCAKERBSA-N -1 0 316.335 1.291 20 5 DDBDRM Cc1c(CS(=O)(=O)[N-]C(=O)/C=C\C2CC2)cccc1[N+](=O)[O-] ZINC000493046936 234684760 /nfs/dbraw/zinc/68/47/60/234684760.db2.gz LBMJRQYEDDFFBX-FPLPWBNLSA-N -1 0 324.358 1.815 20 5 DDBDRM COc1ccc(S(=O)(=O)[N-]c2nccs2)c([N+](=O)[O-])c1 ZINC000073437713 191316779 /nfs/dbraw/zinc/31/67/79/191316779.db2.gz KAYWUNSYVBUYGB-UHFFFAOYSA-N -1 0 315.332 1.861 20 5 DDBDRM C[C@](O)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000592769201 355683062 /nfs/dbraw/zinc/68/30/62/355683062.db2.gz PNIBVBVGJPPBGM-ZDUSSCGKSA-N -1 0 314.725 1.845 20 5 DDBDRM CO[C@H]1COCC[C@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592980190 355762040 /nfs/dbraw/zinc/76/20/40/355762040.db2.gz MEKJZLRWXLCJAH-KWQFWETISA-N -1 0 311.294 1.151 20 5 DDBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000593222849 355827307 /nfs/dbraw/zinc/82/73/07/355827307.db2.gz XHQJGVGHNDCRKZ-LDYMZIIASA-N -1 0 314.319 1.221 20 5 DDBDRM CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000593763569 355989812 /nfs/dbraw/zinc/98/98/12/355989812.db2.gz RZKWDMWEMWSAQP-WDEREUQCSA-N -1 0 308.338 1.667 20 5 DDBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CO)CCF)c1C ZINC000593658683 355957182 /nfs/dbraw/zinc/95/71/82/355957182.db2.gz VZZTVVZXAZVOJM-JTQLQIEISA-N -1 0 320.342 1.210 20 5 DDBDRM Cc1c(CNC(=O)N2CC3CC2(C(=O)[O-])C3)cccc1[N+](=O)[O-] ZINC000594686571 356284914 /nfs/dbraw/zinc/28/49/14/356284914.db2.gz PIGWLYHEIMRNJP-UHFFFAOYSA-N -1 0 319.317 1.662 20 5 DDBDRM CO[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594737276 356302046 /nfs/dbraw/zinc/30/20/46/356302046.db2.gz WRMVGIJJWZGSBK-MFKMUULPSA-N -1 0 310.306 1.756 20 5 DDBDRM CC(C)OCCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594743924 356304988 /nfs/dbraw/zinc/30/49/88/356304988.db2.gz ASPRGGRYBXSLJR-UHFFFAOYSA-N -1 0 303.340 1.083 20 5 DDBDRM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594774079 356313984 /nfs/dbraw/zinc/31/39/84/356313984.db2.gz XNDQVKGLEMTNPH-GXSJLCMTSA-N -1 0 315.351 1.083 20 5 DDBDRM Cc1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])n1C1CC1 ZINC000184223914 199689531 /nfs/dbraw/zinc/68/95/31/199689531.db2.gz FOKMPWPTCRLGIJ-UHFFFAOYSA-N -1 0 317.305 1.465 20 5 DDBDRM CCc1ccc(C(=O)N2CC3CC2(C(=O)[O-])C3)cc1[N+](=O)[O-] ZINC000595244929 356415641 /nfs/dbraw/zinc/41/56/41/356415641.db2.gz OGWGWPLANXXNBR-UHFFFAOYSA-N -1 0 304.302 1.846 20 5 DDBDRM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595384241 356473589 /nfs/dbraw/zinc/47/35/89/356473589.db2.gz UXIORRCRJHGKDQ-UHFFFAOYSA-N -1 0 323.321 1.950 20 5 DDBDRM CC[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236978007 202104368 /nfs/dbraw/zinc/10/43/68/202104368.db2.gz ASTWTMKBQRTDPS-SNVBAGLBSA-N -1 0 307.306 1.762 20 5 DDBDRM Cc1n[nH]c(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1[O-] ZINC000618266342 363552222 /nfs/dbraw/zinc/55/22/22/363552222.db2.gz GVEXWKMWBDHNFB-UHFFFAOYSA-N -1 0 316.277 1.138 20 5 DDBDRM CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000595823080 356665024 /nfs/dbraw/zinc/66/50/24/356665024.db2.gz GJNBLXPVSGORRM-LBPRGKRZSA-N -1 0 322.365 1.488 20 5 DDBDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595990898 356738160 /nfs/dbraw/zinc/73/81/60/356738160.db2.gz YERFJGKKIKCAKA-HNNXBMFYSA-N -1 0 306.318 1.754 20 5 DDBDRM O=C([O-])CN1CC[C@@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000596015263 356746703 /nfs/dbraw/zinc/74/67/03/356746703.db2.gz ZRQZTUYTDQGMOC-SECBINFHSA-N -1 0 314.681 1.313 20 5 DDBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000597583936 357238657 /nfs/dbraw/zinc/23/86/57/357238657.db2.gz VWRZYBJXRPAELV-STQMWFEESA-N -1 0 323.324 1.559 20 5 DDBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000598173807 357482881 /nfs/dbraw/zinc/48/28/81/357482881.db2.gz YTZGXTFJYKPMMB-RNCFNFMXSA-N -1 0 319.317 1.041 20 5 DDBDRM COC(=O)[C@](C)(CCF)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000598288443 357525324 /nfs/dbraw/zinc/52/53/24/357525324.db2.gz ZNICETHLTVSSSA-ZDUSSCGKSA-N -1 0 314.269 1.322 20 5 DDBDRM C[C@]1(C(F)F)CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CCO1 ZINC000598575514 357638060 /nfs/dbraw/zinc/63/80/60/357638060.db2.gz WCNIKJWTZWGEKL-CYBMUJFWSA-N -1 0 316.260 1.797 20 5 DDBDRM COC(=O)c1ccnc(NCCC(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC000598730938 357707683 /nfs/dbraw/zinc/70/76/83/357707683.db2.gz DEEBLPQRZSTEBA-UHFFFAOYSA-N -1 0 311.294 1.689 20 5 DDBDRM O=C(N[C@H]1CCn2cncc2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000598946343 357769965 /nfs/dbraw/zinc/76/99/65/357769965.db2.gz HILWMQICRPNOAS-VIFPVBQESA-N -1 0 302.290 1.242 20 5 DDBDRM CCC1([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCCC1 ZINC000599321154 357893142 /nfs/dbraw/zinc/89/31/42/357893142.db2.gz WXOIHLCPAZOVIX-UHFFFAOYSA-N -1 0 302.356 1.329 20 5 DDBDRM Cc1nn(C)c(NCc2ccc(CC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000600677664 358280504 /nfs/dbraw/zinc/28/05/04/358280504.db2.gz IBXRTAQIGRGGCL-UHFFFAOYSA-N -1 0 304.306 1.876 20 5 DDBDRM O=C([O-])[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000600877475 358336015 /nfs/dbraw/zinc/33/60/15/358336015.db2.gz KIFNRERSNNTGSV-AWEZNQCLSA-N -1 0 308.290 1.206 20 5 DDBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@H](C(F)F)CC1 ZINC000601797453 358699027 /nfs/dbraw/zinc/69/90/27/358699027.db2.gz DGCZEDMUHKXKSU-NSHDSACASA-N -1 0 316.260 1.797 20 5 DDBDRM C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000602850526 359238214 /nfs/dbraw/zinc/23/82/14/359238214.db2.gz WVLNPBYTRTTXIX-OUAUKWLOSA-N -1 0 307.350 1.740 20 5 DDBDRM CCN(C[C@@H]1CCOC1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000604496551 359757395 /nfs/dbraw/zinc/75/73/95/359757395.db2.gz AKBLHAVNRBSJMY-JTQLQIEISA-N -1 0 322.317 1.792 20 5 DDBDRM Cc1occc1CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000604306918 359734050 /nfs/dbraw/zinc/73/40/50/359734050.db2.gz UQULUAZLEFYPBA-UHFFFAOYSA-N -1 0 312.303 1.680 20 5 DDBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000237930427 202395439 /nfs/dbraw/zinc/39/54/39/202395439.db2.gz BZGCPBPFHLZFDZ-JTQLQIEISA-N -1 0 310.310 1.037 20 5 DDBDRM O=C([O-])[C@@H](CC(F)F)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261780730 304093532 /nfs/dbraw/zinc/09/35/32/304093532.db2.gz WVFYQYVJIBVAPK-SECBINFHSA-N -1 0 302.233 1.362 20 5 DDBDRM COC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)(C)C ZINC000610661925 360495168 /nfs/dbraw/zinc/49/51/68/360495168.db2.gz TWAAKCRAMAKAOL-LLVKDONJSA-N -1 0 310.306 1.618 20 5 DDBDRM CC(C)(C(=O)NCC1(C(=O)[O-])CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000610853188 360552355 /nfs/dbraw/zinc/55/23/55/360552355.db2.gz SPNNBHIRSBLTFW-UHFFFAOYSA-N -1 0 324.337 1.288 20 5 DDBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@H](C(F)(F)F)C1 ZINC000611535068 360750902 /nfs/dbraw/zinc/75/09/02/360750902.db2.gz SHWCWBMMAGEXQG-JTQLQIEISA-N -1 0 320.223 1.704 20 5 DDBDRM CSC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000194018678 201164200 /nfs/dbraw/zinc/16/42/00/201164200.db2.gz IHSNWFWMWADSGX-UHFFFAOYSA-N -1 0 320.367 1.908 20 5 DDBDRM O=C([O-])[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000263448566 304110810 /nfs/dbraw/zinc/11/08/10/304110810.db2.gz ZMRLFBNBLRIHII-MRVPVSSYSA-N -1 0 318.289 1.545 20 5 DDBDRM CCC[C@]1(C)C(=O)NCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330445139 284046190 /nfs/dbraw/zinc/04/61/90/284046190.db2.gz CUGHHOOYDSTFFQ-OAHLLOKOSA-N -1 0 307.350 1.791 20 5 DDBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261780983 304144312 /nfs/dbraw/zinc/14/43/12/304144312.db2.gz WYNVDOHXPKMYRB-GDPRMGEGSA-N -1 0 307.306 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/nfs/dbraw/zinc/03/22/75/862032275.db2.gz IMXGVXOGKXRNKB-UHFFFAOYSA-N -1 0 320.261 1.073 20 5 DDBDRM O=C(NCC[C@@H](O)C1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001302688600 852943427 /nfs/dbraw/zinc/94/34/27/852943427.db2.gz OIYXCDNWCRMUPV-CYBMUJFWSA-N -1 0 308.334 1.971 20 5 DDBDRM CCN(CC)S(=O)(=O)[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC001327828730 855627164 /nfs/dbraw/zinc/62/71/64/855627164.db2.gz ACDKFPRWRXOWEM-UHFFFAOYSA-N -1 0 315.351 1.220 20 5 DDBDRM Cn1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC001153301967 863812269 /nfs/dbraw/zinc/81/22/69/863812269.db2.gz RUGLVHFOWWMKOP-UHFFFAOYSA-N -1 0 310.697 1.617 20 5 DDBDRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001153812357 864126440 /nfs/dbraw/zinc/12/64/40/864126440.db2.gz VTYWWGVNJHZZGY-UHFFFAOYSA-N -1 0 322.300 1.545 20 5 DDBDRM COC(=O)c1n[nH]cc1[N-]c1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001158640114 864779045 /nfs/dbraw/zinc/77/90/45/864779045.db2.gz CYLYXOKIJZBDRB-UHFFFAOYSA-N -1 0 321.249 1.030 20 5 DDBDRM O=[N+]([O-])C[C@H](Oc1ccc(S(=O)(=O)[O-])cc1)c1cccnc1 ZINC001225513445 881878975 /nfs/dbraw/zinc/87/89/75/881878975.db2.gz HIIIFLALUDYACI-ZDUSSCGKSA-N -1 0 324.314 1.725 20 5 DDBDRM O=c1cnnc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)[n-]1 ZINC001226170522 882247360 /nfs/dbraw/zinc/24/73/60/882247360.db2.gz SPPRIYZUHXJCED-QMMMGPOBSA-N -1 0 321.268 1.282 20 5 DDBDRM COC(=O)C[C@@H]1CCC[C@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226331481 882358557 /nfs/dbraw/zinc/35/85/57/882358557.db2.gz KRBDETSDKJHKNO-BDAKNGLRSA-N -1 0 311.294 1.591 20 5 DDBDRM O=C(NC1CCC2(COC2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001303017131 871097472 /nfs/dbraw/zinc/09/74/72/871097472.db2.gz CQPSFSNARPWETG-UHFFFAOYSA-N -1 0 306.318 1.989 20 5 DDBDRM COC(=O)c1[n-]c(=O)nc(O[C@@H]2C[C@@H]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC001226650154 882567238 /nfs/dbraw/zinc/56/72/38/882567238.db2.gz QXZGLFOAWXFXGU-GJMOJQLCSA-N -1 0 309.278 1.444 20 5 DDBDRM CSc1nc(O[C@@H]2CCc3nccn3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227629450 883113601 /nfs/dbraw/zinc/11/36/01/883113601.db2.gz VTVQKXSKPCXISK-SSDOTTSWSA-N -1 0 323.334 1.403 20 5 DDBDRM COC(=O)[C@@H]1CCC[C@@H]1Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228603467 883569665 /nfs/dbraw/zinc/56/96/65/883569665.db2.gz KCBVZAAOBCWJLG-BDAKNGLRSA-N -1 0 323.305 1.688 20 5 DDBDRM O=C(CN1CCCCCC1=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546349 185325120 /nfs/dbraw/zinc/32/51/20/185325120.db2.gz ACHMPCILKQRXQS-UHFFFAOYSA-N -1 0 307.306 1.642 20 5 DDBDRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000263202702 299116985 /nfs/dbraw/zinc/11/69/85/299116985.db2.gz HSDPVGMBACXOLA-VHSXEESVSA-N -1 0 307.306 1.772 20 5 DDBDRM CC(C)[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000236601594 201933720 /nfs/dbraw/zinc/93/37/20/201933720.db2.gz HRMJZMNXJKPRGD-CYBMUJFWSA-N -1 0 309.322 1.256 20 5 DDBDRM NC(=O)C1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCC1 ZINC000272647684 210053173 /nfs/dbraw/zinc/05/31/73/210053173.db2.gz ZOYHBSAVXBALCU-UHFFFAOYSA-N -1 0 307.306 1.076 20 5 DDBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCC(=O)[O-] ZINC000070312205 190880148 /nfs/dbraw/zinc/88/01/48/190880148.db2.gz GTDITNYHAZSUNZ-SECBINFHSA-N -1 0 316.335 1.435 20 5 DDBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)N1CCCCC1 ZINC000186009458 186231575 /nfs/dbraw/zinc/23/15/75/186231575.db2.gz WBEDSKHGAGRHAE-SNVBAGLBSA-N -1 0 321.333 1.431 20 5 DDBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CC[C@H](F)C1 ZINC000344884946 282860991 /nfs/dbraw/zinc/86/09/91/282860991.db2.gz AJCUNGAGPKXWCO-JGVFFNPUSA-N -1 0 306.290 1.903 20 5 DDBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C\C2CC2)ccc1[N+](=O)[O-] ZINC000491913109 234333024 /nfs/dbraw/zinc/33/30/24/234333024.db2.gz WRVCAUKUCBIJJX-DAXSKMNVSA-N -1 0 310.331 1.674 20 5 DDBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000564978613 304032668 /nfs/dbraw/zinc/03/26/68/304032668.db2.gz NZITUYPYHNARRH-PELKAZGASA-N -1 0 307.306 1.481 20 5 DDBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000091021265 353803744 /nfs/dbraw/zinc/80/37/44/353803744.db2.gz CNPWTXDXECXMJT-UHFFFAOYSA-N -1 0 324.362 2.000 20 5 DDBDRM CN(Cc1ccccn1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000314224081 354484106 /nfs/dbraw/zinc/48/41/06/354484106.db2.gz MSEZQQSHBNMNBC-UHFFFAOYSA-N -1 0 323.330 1.516 20 5 DDBDRM COc1ccc(CC(=O)NCCC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000590851383 355195699 /nfs/dbraw/zinc/19/56/99/355195699.db2.gz SVOWIHXDLUMUQP-UHFFFAOYSA-N -1 0 324.333 1.763 20 5 DDBDRM O=C([O-])[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000591325496 355288877 /nfs/dbraw/zinc/28/88/77/355288877.db2.gz BSIXZTDGLZYJRQ-SNVBAGLBSA-N -1 0 318.232 1.486 20 5 DDBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](O)C(F)(F)F ZINC000591783800 355384912 /nfs/dbraw/zinc/38/49/12/355384912.db2.gz CQFBZSRWNNWNKL-SSDLBLMSSA-N -1 0 308.212 1.342 20 5 DDBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCO[C@@]2(CCSC2)C1 ZINC000592825034 355703967 /nfs/dbraw/zinc/70/39/67/355703967.db2.gz ZEFMEPLTGBKNND-AWEZNQCLSA-N -1 0 324.358 1.649 20 5 DDBDRM CC[C@@H](CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000592953643 355749790 /nfs/dbraw/zinc/74/97/90/355749790.db2.gz XNKBLLXRYYFEFO-VIFPVBQESA-N -1 0 310.306 1.752 20 5 DDBDRM CCO[C@@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000592977434 355760300 /nfs/dbraw/zinc/76/03/00/355760300.db2.gz CCVQQDQRCPTGTC-BXKDBHETSA-N -1 0 309.322 1.939 20 5 DDBDRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000592977551 355760310 /nfs/dbraw/zinc/76/03/10/355760310.db2.gz RULBIJOHUURNLW-QPUJVOFHSA-N -1 0 307.306 1.692 20 5 DDBDRM CC(C)(CNC(=O)c1cccc([O-])c1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000592876313 355727901 /nfs/dbraw/zinc/72/79/01/355727901.db2.gz XXXQUIXFFDMEPH-OAHLLOKOSA-N -1 0 324.333 1.208 20 5 DDBDRM CCCN(CC(=O)OCC)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274639124 283124647 /nfs/dbraw/zinc/12/46/47/283124647.db2.gz AKLQTSCMVLEOGE-UHFFFAOYSA-N -1 0 310.306 1.716 20 5 DDBDRM CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]2COC[C@H]2O1 ZINC000593886025 356041743 /nfs/dbraw/zinc/04/17/43/356041743.db2.gz HPKTXACQPJRMFZ-DGCLKSJQSA-N -1 0 322.317 1.319 20 5 DDBDRM C[C@H](CO)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000593831287 356014917 /nfs/dbraw/zinc/01/49/17/356014917.db2.gz TUOLIFWPZJBEBF-SNVBAGLBSA-N -1 0 308.334 1.781 20 5 DDBDRM C[C@@H](CO)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000593830900 356015050 /nfs/dbraw/zinc/01/50/50/356015050.db2.gz RJHAPWFZWDUPLV-JTQLQIEISA-N -1 0 308.334 1.781 20 5 DDBDRM COc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC000594660073 356279192 /nfs/dbraw/zinc/27/91/92/356279192.db2.gz CQTDWQNBAQYYBO-AWEZNQCLSA-N -1 0 324.289 1.423 20 5 DDBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000594772815 356313127 /nfs/dbraw/zinc/31/31/27/356313127.db2.gz NQXMIACEXXIPSF-UHFFFAOYSA-N -1 0 307.278 1.313 20 5 DDBDRM COc1ccc(C(=O)N[C@@](C)(CCF)C(=O)[O-])cc1[N+](=O)[O-] ZINC000595253716 356419296 /nfs/dbraw/zinc/41/92/96/356419296.db2.gz XARUJXUGTIOLBD-ZDUSSCGKSA-N -1 0 314.269 1.536 20 5 DDBDRM CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H](C)C(=O)[O-] ZINC000595280811 356430743 /nfs/dbraw/zinc/43/07/43/356430743.db2.gz JGWZVDNXJRUOGA-SSDOTTSWSA-N -1 0 306.278 1.406 20 5 DDBDRM NC(=O)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000184668502 199749073 /nfs/dbraw/zinc/74/90/73/199749073.db2.gz VTZAVOCLSSVTBG-UHFFFAOYSA-N -1 0 307.306 1.028 20 5 DDBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236928183 202075763 /nfs/dbraw/zinc/07/57/63/202075763.db2.gz SEGXQUVLGUIXHU-QMMMGPOBSA-N -1 0 320.305 1.796 20 5 DDBDRM CCN(CC(=O)[O-])C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000236980668 202105946 /nfs/dbraw/zinc/10/59/46/202105946.db2.gz FFQWOPHHQLBJBJ-UHFFFAOYSA-N -1 0 307.306 1.716 20 5 DDBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000596063304 356758706 /nfs/dbraw/zinc/75/87/06/356758706.db2.gz LDRCVUXNDOSGKJ-UHFFFAOYSA-N -1 0 323.305 1.980 20 5 DDBDRM CC(C)N(CCOCCO)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597628917 357261973 /nfs/dbraw/zinc/26/19/73/357261973.db2.gz LHCYKCZLROGQJB-UHFFFAOYSA-N -1 0 312.322 1.160 20 5 DDBDRM C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ncnn21 ZINC000597930582 357386315 /nfs/dbraw/zinc/38/63/15/357386315.db2.gz DEKRRKJLRDUPFW-CBAPKCEASA-N -1 0 303.278 1.328 20 5 DDBDRM C[C@@H](CO)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598024752 357431821 /nfs/dbraw/zinc/43/18/21/357431821.db2.gz YAWWVKUIGVXAAC-GXFFZTMASA-N -1 0 308.334 1.924 20 5 DDBDRM C[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000598071710 357455215 /nfs/dbraw/zinc/45/52/15/357455215.db2.gz VHXBWOBHUDFUIP-QMTHXVAHSA-N -1 0 308.334 1.924 20 5 DDBDRM Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598585127 357640657 /nfs/dbraw/zinc/64/06/57/357640657.db2.gz SDNKZAHJEWVSMQ-UHFFFAOYSA-N -1 0 316.335 1.355 20 5 DDBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCCC2(C)C)n1 ZINC000599257915 357864852 /nfs/dbraw/zinc/86/48/52/357864852.db2.gz QGGKUSCUMPVBMA-JTQLQIEISA-N -1 0 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357375768 /nfs/dbraw/zinc/37/57/68/357375768.db2.gz TXJGODPKVMKEGP-JTQLQIEISA-N -1 0 317.305 1.054 20 5 DDBDRM COC(=O)[C@H](C)N(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCC1 ZINC000276833499 213122283 /nfs/dbraw/zinc/12/22/83/213122283.db2.gz WMXNOMAAZAXPDS-VIFPVBQESA-N -1 0 322.317 1.857 20 5 DDBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](O)C(F)(F)C1 ZINC000598001731 357418214 /nfs/dbraw/zinc/41/82/14/357418214.db2.gz RCXVLVQUDYDTKQ-SNVBAGLBSA-N -1 0 302.233 1.143 20 5 DDBDRM C[C@H](CO)[C@H]1CCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598017245 357427014 /nfs/dbraw/zinc/42/70/14/357427014.db2.gz BLKAJWNHBZMUMJ-QMTHXVAHSA-N -1 0 308.334 1.924 20 5 DDBDRM O=C(C1CC1)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000565376199 304065972 /nfs/dbraw/zinc/06/59/72/304065972.db2.gz OUHXUTNSBJDQQC-UHFFFAOYSA-N -1 0 305.334 1.355 20 5 DDBDRM Nc1c(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000598662246 357676146 /nfs/dbraw/zinc/67/61/46/357676146.db2.gz UQDOMTVRHFACLC-CYBMUJFWSA-N -1 0 321.333 1.940 20 5 DDBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCc2ccccc2)n1 ZINC000599203219 357848979 /nfs/dbraw/zinc/84/89/79/357848979.db2.gz KFISFUSBDPFIIL-UHFFFAOYSA-N -1 0 324.362 1.239 20 5 DDBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC(F)(F)CC2)n1 ZINC000599268171 357869136 /nfs/dbraw/zinc/86/91/36/357869136.db2.gz CKPQKAHMLXZIEM-UHFFFAOYSA-N -1 0 324.309 1.185 20 5 DDBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2=CCCCC2)n1 ZINC000599315567 357889864 /nfs/dbraw/zinc/88/98/64/357889864.db2.gz MCBDKALACRXGDI-UHFFFAOYSA-N -1 0 300.340 1.107 20 5 DDBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C[C@H]1CCCC12CC2 ZINC000599518587 357962284 /nfs/dbraw/zinc/96/22/84/357962284.db2.gz QOOBXZVHDOAREZ-SNVBAGLBSA-N -1 0 311.363 1.848 20 5 DDBDRM CCOC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCO1 ZINC000600408909 358213056 /nfs/dbraw/zinc/21/30/56/358213056.db2.gz DIOUUDKAABLQSU-JTQLQIEISA-N -1 0 310.306 1.178 20 5 DDBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc3c2CCO3)n1 ZINC000600655610 358275619 /nfs/dbraw/zinc/27/56/19/358275619.db2.gz SEZCQTRQUIYVCV-UHFFFAOYSA-N -1 0 324.318 1.064 20 5 DDBDRM C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC000600679600 358281195 /nfs/dbraw/zinc/28/11/95/358281195.db2.gz ZMVDXFABJOIPSD-RNCFNFMXSA-N -1 0 317.301 1.821 20 5 DDBDRM Cc1nn(CCC(=O)N[C@H](C)CCC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237388598 202251873 /nfs/dbraw/zinc/25/18/73/202251873.db2.gz CUMQIGZCVHMCBZ-MRVPVSSYSA-N -1 0 312.326 1.168 20 5 DDBDRM C[C@](NC(=O)[C@@H]1CCCO1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600878135 358335461 /nfs/dbraw/zinc/33/54/61/358335461.db2.gz VLWZFACSEKGWFT-SMDDNHRTSA-N -1 0 308.290 1.190 20 5 DDBDRM O=C([O-])[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCCOC1 ZINC000600877571 358335593 /nfs/dbraw/zinc/33/55/93/358335593.db2.gz LYQUAFSWDHMANA-GFCCVEGCSA-N -1 0 314.319 1.268 20 5 DDBDRM CC(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000180774184 199206937 /nfs/dbraw/zinc/20/69/37/199206937.db2.gz GPGOSQTWWIHBMN-SNVBAGLBSA-N -1 0 307.306 1.497 20 5 DDBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CC1CSC1 ZINC000603388271 359609505 /nfs/dbraw/zinc/60/95/05/359609505.db2.gz XJOUKSWFAAVWMO-UHFFFAOYSA-N -1 0 306.340 1.375 20 5 DDBDRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000604286070 359732511 /nfs/dbraw/zinc/73/25/11/359732511.db2.gz FSDPNYJBCPJJLD-CYBMUJFWSA-N -1 0 324.300 1.627 20 5 DDBDRM Cc1nn(C)c(C(=O)NCCCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000237676115 202326034 /nfs/dbraw/zinc/32/60/34/202326034.db2.gz HWCGTOCZUGWNDS-UHFFFAOYSA-N -1 0 312.326 1.402 20 5 DDBDRM Nc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000238107914 202441136 /nfs/dbraw/zinc/44/11/36/202441136.db2.gz PKBNXCPRDKJFSA-UHFFFAOYSA-N -1 0 307.306 1.550 20 5 DDBDRM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccnc1 ZINC000610259515 360402918 /nfs/dbraw/zinc/40/29/18/360402918.db2.gz CUGPQWMDYRALTI-VIFPVBQESA-N -1 0 308.319 1.424 20 5 DDBDRM COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000611289911 360691211 /nfs/dbraw/zinc/69/12/11/360691211.db2.gz QUYRSHZMNWYAHC-NSHDSACASA-N -1 0 310.306 1.618 20 5 DDBDRM O=C([O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1F ZINC000611464022 360725442 /nfs/dbraw/zinc/72/54/42/360725442.db2.gz QWUCKKRIFUBEER-NSHDSACASA-N -1 0 307.237 1.618 20 5 DDBDRM COC(=O)c1[nH]c(C)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000611567607 360763503 /nfs/dbraw/zinc/76/35/03/360763503.db2.gz RUCXCIPLYMUSBD-UHFFFAOYSA-N -1 0 319.273 1.976 20 5 DDBDRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000262497156 304099356 /nfs/dbraw/zinc/09/93/56/304099356.db2.gz XRGVYRXROJMABS-NSHDSACASA-N -1 0 304.302 1.922 20 5 DDBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000619574349 364067528 /nfs/dbraw/zinc/06/75/28/364067528.db2.gz SALQHCRKJIBZMA-CHWSQXEVSA-N -1 0 323.324 1.559 20 5 DDBDRM CC[C@](C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000211193931 201439063 /nfs/dbraw/zinc/43/90/63/201439063.db2.gz KXEWFAIVFXBMHT-GFCCVEGCSA-N -1 0 316.335 1.374 20 5 DDBDRM O=C(NCc1n[nH]c(=O)[n-]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359269921 299387888 /nfs/dbraw/zinc/38/78/88/299387888.db2.gz JXNCQTUOMABKIF-UHFFFAOYSA-N -1 0 319.302 1.563 20 5 DDBDRM CC(C)(CCC(=O)[O-])NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000261834497 203129719 /nfs/dbraw/zinc/12/97/19/203129719.db2.gz BYNZVNABBQWVIP-UHFFFAOYSA-N -1 0 310.306 1.733 20 5 DDBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000262160231 203214681 /nfs/dbraw/zinc/21/46/81/203214681.db2.gz NDCOOUHQTCULME-CQSZACIVSA-N -1 0 308.290 1.540 20 5 DDBDRM O=C([O-])[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000262185831 203222888 /nfs/dbraw/zinc/22/28/88/203222888.db2.gz XRJSNGULLCKUGI-LLVKDONJSA-N -1 0 312.253 1.188 20 5 DDBDRM C[C@@H](CN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000262288286 203251907 /nfs/dbraw/zinc/25/19/07/203251907.db2.gz GDILWTQAZUPFDQ-QMMMGPOBSA-N -1 0 324.289 1.159 20 5 DDBDRM CCC[C@](C)(O)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262411082 203285857 /nfs/dbraw/zinc/28/58/57/203285857.db2.gz OCWYZCFTHBSYBR-AWEZNQCLSA-N -1 0 310.306 1.574 20 5 DDBDRM C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000262561563 203330620 /nfs/dbraw/zinc/33/06/20/203330620.db2.gz YPINHDZBMCQAKG-SECBINFHSA-N -1 0 305.290 1.386 20 5 DDBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1 ZINC000094780187 193396935 /nfs/dbraw/zinc/39/69/35/193396935.db2.gz JPSNVUBNABGGRQ-UHFFFAOYSA-N -1 0 301.255 1.831 20 5 DDBDRM CCN(C)C(=O)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000449440461 284305445 /nfs/dbraw/zinc/30/54/45/284305445.db2.gz KZHBZCNATMIXJC-AWEZNQCLSA-N -1 0 309.366 1.893 20 5 DDBDRM CC(C)n1ncnc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000282934526 217335104 /nfs/dbraw/zinc/33/51/04/217335104.db2.gz HBEWTJJGKZILBN-UHFFFAOYSA-N -1 0 305.294 1.403 20 5 DDBDRM CCC(CC)(NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000336853776 249258783 /nfs/dbraw/zinc/25/87/83/249258783.db2.gz JZSMRTLAPVWHFB-UHFFFAOYSA-N -1 0 310.306 1.977 20 5 DDBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000337051608 249331149 /nfs/dbraw/zinc/33/11/49/249331149.db2.gz RVDDIRYWSPNPBD-KWQFWETISA-N -1 0 308.290 1.396 20 5 DDBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000337051607 249331516 /nfs/dbraw/zinc/33/15/16/249331516.db2.gz RVDDIRYWSPNPBD-KCJUWKMLSA-N -1 0 308.290 1.396 20 5 DDBDRM Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cn2n1 ZINC000339302456 250399342 /nfs/dbraw/zinc/39/93/42/250399342.db2.gz IYXNMDMNWQUWBT-UHFFFAOYSA-N -1 0 313.273 1.904 20 5 DDBDRM O=C(NCCCN1CCCCC1=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352269076 284912741 /nfs/dbraw/zinc/91/27/41/284912741.db2.gz HJJNWUZGSYPTIA-UHFFFAOYSA-N -1 0 321.333 1.433 20 5 DDBDRM C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000062924502 184260028 /nfs/dbraw/zinc/26/00/28/184260028.db2.gz VTUHCDCMFZPTQD-GFCCVEGCSA-N -1 0 314.319 1.080 20 5 DDBDRM CO[C@@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C12CCC2 ZINC000458192449 532962130 /nfs/dbraw/zinc/96/21/30/532962130.db2.gz NMIQUBNVGGTORT-QWHCGFSZSA-N -1 0 306.318 1.988 20 5 DDBDRM NC(=O)C[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119115761 194977361 /nfs/dbraw/zinc/97/73/61/194977361.db2.gz HUCQHOANQWKJQL-VIFPVBQESA-N -1 0 307.306 1.028 20 5 DDBDRM C[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000324344983 296369673 /nfs/dbraw/zinc/36/96/73/296369673.db2.gz ZPQIAMIFRVYHMP-YGRLFVJLSA-N -1 0 322.317 1.685 20 5 DDBDRM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000288609116 220283819 /nfs/dbraw/zinc/28/38/19/220283819.db2.gz KPSUMFNVATWNEL-SSDOTTSWSA-N -1 0 312.269 1.965 20 5 DDBDRM COc1cc(CNc2ccc(CCO)nc2)cc([N+](=O)[O-])c1[O-] ZINC000352526220 285116007 /nfs/dbraw/zinc/11/60/07/285116007.db2.gz LOKXTIHQGCNKKI-UHFFFAOYSA-N -1 0 319.317 1.851 20 5 DDBDRM COCC(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000292472087 533089026 /nfs/dbraw/zinc/08/90/26/533089026.db2.gz BDJDRVSSVOUHDJ-UHFFFAOYSA-N -1 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600560626 /nfs/dbraw/zinc/56/06/26/600560626.db2.gz HAAOFAXWCQWKQF-AWEZNQCLSA-N -1 0 320.305 1.988 20 5 DDBDRM O=C([O-])COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000739834120 600577177 /nfs/dbraw/zinc/57/71/77/600577177.db2.gz WYMOZHQBROHUOV-UHFFFAOYSA-N -1 0 320.257 1.581 20 5 DDBDRM CCC(CC)(NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)[O-] ZINC000828838640 600976641 /nfs/dbraw/zinc/97/66/41/600976641.db2.gz TVEOOQXYHSNOEK-UHFFFAOYSA-N -1 0 324.289 1.697 20 5 DDBDRM Cc1cc(N2CCC(C(N)=O)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889767 601544842 /nfs/dbraw/zinc/54/48/42/601544842.db2.gz SZRLLVNYLLMDDP-UHFFFAOYSA-N -1 0 307.306 1.303 20 5 DDBDRM COC(=O)c1cc(C(=O)N(CC(=O)[O-])C2CC2)cc([N+](=O)[O-])c1 ZINC000831236463 601634985 /nfs/dbraw/zinc/63/49/85/601634985.db2.gz RYGOGJCDPVNLKX-UHFFFAOYSA-N -1 0 322.273 1.071 20 5 DDBDRM C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000828334801 601709791 /nfs/dbraw/zinc/70/97/91/601709791.db2.gz QAIUNOXQMDPJGI-MNOVXSKESA-N -1 0 321.333 1.576 20 5 DDBDRM O=C([O-])NC[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000740646058 601916578 /nfs/dbraw/zinc/91/65/78/601916578.db2.gz JQMWKMVLFVWWCQ-SNVBAGLBSA-N -1 0 319.321 1.492 20 5 DDBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](CNC(=O)[O-])C1 ZINC000739745584 601919327 /nfs/dbraw/zinc/91/93/27/601919327.db2.gz OPTWCELQXHYDGM-SECBINFHSA-N -1 0 322.321 1.048 20 5 DDBDRM O=C([O-])NC[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000740641359 602006662 /nfs/dbraw/zinc/00/66/62/602006662.db2.gz BCIRVVUPUNJNAB-VIFPVBQESA-N -1 0 308.294 1.716 20 5 DDBDRM O=C([O-])N(CCNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000740440524 602058405 /nfs/dbraw/zinc/05/84/05/602058405.db2.gz SSYXVZGLIZNSKU-UHFFFAOYSA-N -1 0 308.294 1.859 20 5 DDBDRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000739241985 602132107 /nfs/dbraw/zinc/13/21/07/602132107.db2.gz SWPGXXMBLALBBD-SKDRFNHKSA-N -1 0 309.322 1.893 20 5 DDBDRM O=C([O-])N1CCCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000740448497 602507309 /nfs/dbraw/zinc/50/73/09/602507309.db2.gz NEMSSIFLOSQICU-GFCCVEGCSA-N -1 0 307.306 1.744 20 5 DDBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739716934 602579576 /nfs/dbraw/zinc/57/95/76/602579576.db2.gz WURCRCXCQKUABX-LLVKDONJSA-N -1 0 322.321 1.489 20 5 DDBDRM O=C([O-])N1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000740448166 602620923 /nfs/dbraw/zinc/62/09/23/602620923.db2.gz PVLBDDTUVBKRDN-LLVKDONJSA-N -1 0 322.321 1.189 20 5 DDBDRM O=C([O-])N1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000740425065 602643324 /nfs/dbraw/zinc/64/33/24/602643324.db2.gz PTNDBFDIDRUADS-SECBINFHSA-N -1 0 310.310 1.433 20 5 DDBDRM O=C([O-])N1CCN(CCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000740526839 602670801 /nfs/dbraw/zinc/67/08/01/602670801.db2.gz MTUULPGGCXWVBZ-UHFFFAOYSA-N -1 0 314.367 1.754 20 5 DDBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)N1C(=O)[O-] ZINC000739167149 602772023 /nfs/dbraw/zinc/77/20/23/602772023.db2.gz LPTPVYAFRHGDLG-DTORHVGOSA-N -1 0 310.310 1.146 20 5 DDBDRM O=C([O-])N1CC[C@@H](C(=O)OCCOc2ccccc2[N+](=O)[O-])C1 ZINC000740726575 602889829 /nfs/dbraw/zinc/88/98/29/602889829.db2.gz UMXSVEFUBMUBJC-SNVBAGLBSA-N -1 0 324.289 1.517 20 5 DDBDRM COc1ccc(C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000739882953 602948531 /nfs/dbraw/zinc/94/85/31/602948531.db2.gz NEBJBRBEEHKSMW-VIFPVBQESA-N -1 0 323.305 1.428 20 5 DDBDRM Cn1cc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000740291701 603007873 /nfs/dbraw/zinc/00/78/73/603007873.db2.gz XDPAAQGDFUTFJB-PBINXNQUSA-N -1 0 322.321 1.337 20 5 DDBDRM CN(CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000739690460 603039138 /nfs/dbraw/zinc/03/91/38/603039138.db2.gz QJCPULYUGFOCTO-UHFFFAOYSA-N -1 0 309.322 1.598 20 5 DDBDRM Cc1cccc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC000740162100 603043508 /nfs/dbraw/zinc/04/35/08/603043508.db2.gz KKIZMPAVNMYQPE-LLVKDONJSA-N -1 0 307.306 1.679 20 5 DDBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000830137715 603104165 /nfs/dbraw/zinc/10/41/65/603104165.db2.gz GGNPDVZVTUQGCV-LLVKDONJSA-N -1 0 307.306 1.775 20 5 DDBDRM CNc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000828594051 603124750 /nfs/dbraw/zinc/12/47/50/603124750.db2.gz PZHLVZLGHLVEKX-SNVBAGLBSA-N -1 0 322.321 1.509 20 5 DDBDRM CC(C)(CC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)NC(=O)[O-] ZINC000738737079 603132664 /nfs/dbraw/zinc/13/26/64/603132664.db2.gz FJYPQUAHBURUBQ-UHFFFAOYSA-N -1 0 324.289 1.757 20 5 DDBDRM Cc1nn(C)c(N[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000740246408 603232953 /nfs/dbraw/zinc/23/29/53/603232953.db2.gz NLUQNEHCWMYYRP-SCZZXKLOSA-N -1 0 311.342 1.827 20 5 DDBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](NC(=O)[O-])C(C)C ZINC000740238889 603420271 /nfs/dbraw/zinc/42/02/71/603420271.db2.gz NXUXUSFEKWOGHO-LLVKDONJSA-N -1 0 310.310 1.320 20 5 DDBDRM Nc1c(C(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000831259830 603436886 /nfs/dbraw/zinc/43/68/86/603436886.db2.gz IFHLCNQHIJUFGE-VIFPVBQESA-N -1 0 322.321 1.297 20 5 DDBDRM CN(CC(C)(C)CNC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000828151473 603462840 /nfs/dbraw/zinc/46/28/40/603462840.db2.gz ZCRFISJAORRKNP-UHFFFAOYSA-N -1 0 309.322 1.961 20 5 DDBDRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000827841639 603538488 /nfs/dbraw/zinc/53/84/88/603538488.db2.gz YOUYRRMEHKFKTH-LLVKDONJSA-N -1 0 323.305 1.184 20 5 DDBDRM CSc1ccc(C(=O)OC2CN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000829760542 603585582 /nfs/dbraw/zinc/58/55/82/603585582.db2.gz MTQLMPCCAUZXSX-UHFFFAOYSA-N -1 0 312.303 1.836 20 5 DDBDRM Cc1ccc([C@@H](C)NC(=O)NCCNC(=O)[O-])cc1[N+](=O)[O-] ZINC000830256626 603693283 /nfs/dbraw/zinc/69/32/83/603693283.db2.gz JTXQCEDHLLILLL-SECBINFHSA-N -1 0 310.310 1.531 20 5 DDBDRM C[C@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CCN1C(=O)[O-] ZINC000826007457 603699264 /nfs/dbraw/zinc/69/92/64/603699264.db2.gz JZDSGXIAOUNCIL-JTQLQIEISA-N -1 0 322.321 1.489 20 5 DDBDRM COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000829510604 603812392 /nfs/dbraw/zinc/81/23/92/603812392.db2.gz LREMYQDMKDMODA-GFCCVEGCSA-N -1 0 309.322 1.788 20 5 DDBDRM O=C([O-])N1CCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000831647875 603836947 /nfs/dbraw/zinc/83/69/47/603836947.db2.gz QJZYFYAUQVGURN-VIFPVBQESA-N -1 0 311.269 1.606 20 5 DDBDRM Cc1nn(C)c(N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000830859611 604054733 /nfs/dbraw/zinc/05/47/33/604054733.db2.gz FEFVDFJCQRZKGO-WCBMZHEXSA-N -1 0 311.342 1.509 20 5 DDBDRM CN(C(=O)[O-])[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000827899617 604224691 /nfs/dbraw/zinc/22/46/91/604224691.db2.gz IMKWWJVYYSEGGT-SECBINFHSA-N -1 0 310.266 1.692 20 5 DDBDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000827011831 604441774 /nfs/dbraw/zinc/44/17/74/604441774.db2.gz RJJAIJJDXZHMPC-QMMMGPOBSA-N -1 0 316.335 1.607 20 5 DDBDRM CC(C)COC[C@H](O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833488362 604533479 /nfs/dbraw/zinc/53/34/79/604533479.db2.gz OARQRWNLBXDTDF-NSHDSACASA-N -1 0 313.306 1.705 20 5 DDBDRM O=C([O-])[C@@H]1CC12CC[NH+](Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000833771858 604648047 /nfs/dbraw/zinc/64/80/47/604648047.db2.gz SDAMSGYTBDIVFS-LBPRGKRZSA-N -1 0 306.318 1.987 20 5 DDBDRM O=C([O-])c1ccc(OCC(=O)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000833782480 604795080 /nfs/dbraw/zinc/79/50/80/604795080.db2.gz OEGOZGZSGFZAAM-UHFFFAOYSA-N -1 0 309.274 1.668 20 5 DDBDRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000832482466 604851582 /nfs/dbraw/zinc/85/15/82/604851582.db2.gz OARHSUVALAQVLM-WPRPVWTQSA-N -1 0 308.294 1.156 20 5 DDBDRM Cc1nc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000830771121 604896846 /nfs/dbraw/zinc/89/68/46/604896846.db2.gz XLDIDUZRONFLCG-DTWKUNHWSA-N -1 0 308.294 1.673 20 5 DDBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000833410719 605053721 /nfs/dbraw/zinc/05/37/21/605053721.db2.gz FJWGPVWZOLRTND-KCJUWKMLSA-N -1 0 318.289 1.510 20 5 DDBDRM O=C([O-])N[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000740585688 605097647 /nfs/dbraw/zinc/09/76/47/605097647.db2.gz NYHUJUMCMIHMOV-JTQLQIEISA-N -1 0 308.294 1.146 20 5 DDBDRM Cn1ncc([N+](=O)[O-])c1-c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000833962244 605361641 /nfs/dbraw/zinc/36/16/41/605361641.db2.gz QFCSRGGZOLFDLO-UHFFFAOYSA-N -1 0 308.254 1.025 20 5 DDBDRM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000833960821 605379243 /nfs/dbraw/zinc/37/92/43/605379243.db2.gz FJFOQPFIRXWDGR-UHFFFAOYSA-N -1 0 305.250 1.671 20 5 DDBDRM CN(CCN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-] ZINC000833873133 605547590 /nfs/dbraw/zinc/54/75/90/605547590.db2.gz UKIFPZZQAIMWHK-UHFFFAOYSA-N -1 0 315.713 1.930 20 5 DDBDRM O=C([O-])NC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000834189538 605836341 /nfs/dbraw/zinc/83/63/41/605836341.db2.gz ROLASBKRNXZSJS-UHFFFAOYSA-N -1 0 317.305 1.774 20 5 DDBDRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000825809750 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/nfs/dbraw/zinc/51/28/46/698512846.db2.gz HCQDSRDZWSWXEL-CYBMUJFWSA-N -1 0 312.278 1.019 20 5 DDBDRM CC(C)[C@H](F)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000784485024 698941940 /nfs/dbraw/zinc/94/19/40/698941940.db2.gz VHYCGIBEQUSTQD-NSHDSACASA-N -1 0 318.326 1.535 20 5 DDBDRM COC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000786262665 699137084 /nfs/dbraw/zinc/13/70/84/699137084.db2.gz QDLIIYBEGCLDCA-UHFFFAOYSA-N -1 0 316.335 1.215 20 5 DDBDRM CCOc1cc(OS(=O)(=O)c2cnc[n-]2)ccc1[N+](=O)[O-] ZINC000790925376 699603506 /nfs/dbraw/zinc/60/35/06/699603506.db2.gz QLADDGTVBPTZAN-UHFFFAOYSA-N -1 0 313.291 1.484 20 5 DDBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccccn1 ZINC000734968128 699670573 /nfs/dbraw/zinc/67/05/73/699670573.db2.gz IICOXIZKHUQPIM-UHFFFAOYSA-N -1 0 321.314 1.037 20 5 DDBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CCOC2)c1 ZINC000795894262 699900031 /nfs/dbraw/zinc/90/00/31/699900031.db2.gz ANANCMRLOGYCHM-LURJTMIESA-N -1 0 324.717 1.455 20 5 DDBDRM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)CC1(C)OCCO1 ZINC000743488683 699914685 /nfs/dbraw/zinc/91/46/85/699914685.db2.gz PZWZKCBTJNENHG-SNVBAGLBSA-N -1 0 324.333 1.819 20 5 DDBDRM CO[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC000796455859 699934621 /nfs/dbraw/zinc/93/46/21/699934621.db2.gz TWLKNQZQHXKGGT-SECBINFHSA-N -1 0 308.212 1.608 20 5 DDBDRM CS[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000757389440 700662682 /nfs/dbraw/zinc/66/26/82/700662682.db2.gz WKPMBSWDBCXGSY-QMMMGPOBSA-N -1 0 318.376 1.541 20 5 DDBDRM CS[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000757444571 700662848 /nfs/dbraw/zinc/66/28/48/700662848.db2.gz XFLOMMCRIGLFRN-LURJTMIESA-N -1 0 324.405 1.603 20 5 DDBDRM CSCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770776098 701294909 /nfs/dbraw/zinc/29/49/09/701294909.db2.gz SBFMLIJTQOGVCR-UHFFFAOYSA-N -1 0 322.339 1.292 20 5 DDBDRM CC(=O)O[C@@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000807136597 701465531 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DDBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC2 ZINC000817722174 702462809 /nfs/dbraw/zinc/46/28/09/702462809.db2.gz MIVSQXVDFJAERS-LBPRGKRZSA-N -1 0 324.358 1.383 20 5 DDBDRM CCOC(=O)[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843772208 702922147 /nfs/dbraw/zinc/92/21/47/702922147.db2.gz VPYFZGHZERFMGY-ZCFIWIBFSA-N -1 0 316.697 1.635 20 5 DDBDRM C[S@](=O)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843790386 702924477 /nfs/dbraw/zinc/92/44/77/702924477.db2.gz DUSRMVUABPGMQD-IBGZPJMESA-N -1 0 306.727 1.062 20 5 DDBDRM O=C([O-])Cc1ccc(N2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000844210652 702992430 /nfs/dbraw/zinc/99/24/30/702992430.db2.gz XJGDMRMBYPXQCY-UHFFFAOYSA-N -1 0 306.318 1.981 20 5 DDBDRM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847893649 703481918 /nfs/dbraw/zinc/48/19/18/703481918.db2.gz CNJSWDRARLLVLV-SECBINFHSA-N -1 0 315.351 1.621 20 5 DDBDRM O=C(CC1CCCC1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000851327105 703792423 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Cn1cc(CCC(=O)OCc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000837456592 707653480 /nfs/dbraw/zinc/65/34/80/707653480.db2.gz VJVKBSQQDRHQCV-UHFFFAOYSA-N -1 0 305.290 1.710 20 5 DDBDRM CC(C)(C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000837681755 707715169 /nfs/dbraw/zinc/71/51/69/707715169.db2.gz LBHVJRHZFAJUHD-UHFFFAOYSA-N -1 0 317.319 1.167 20 5 DDBDRM C[C@@]1(C2CC2)COCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000890582410 709919840 /nfs/dbraw/zinc/91/98/40/709919840.db2.gz SXXBYMWMDQJHQC-HNNXBMFYSA-N -1 0 306.318 1.942 20 5 DDBDRM O=C(NCc1nc(C2CC2)no1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000918344663 713538399 /nfs/dbraw/zinc/53/83/99/713538399.db2.gz KFOAYKWKNSUYEQ-UHFFFAOYSA-N -1 0 304.262 1.491 20 5 DDBDRM COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCc1ncccc1O ZINC001169731315 762638310 /nfs/dbraw/zinc/63/83/10/762638310.db2.gz NXLIZDKYFNFYJN-UHFFFAOYSA-N -1 0 318.289 1.798 20 5 DDBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](c2cc(=O)[nH][nH]2)C1 ZINC001144501649 772551624 /nfs/dbraw/zinc/55/16/24/772551624.db2.gz ALCNBELAIWFWSY-QMMMGPOBSA-N -1 0 318.289 1.359 20 5 DDBDRM CCOC(=O)c1nonc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502978 777503142 /nfs/dbraw/zinc/50/31/42/777503142.db2.gz QLWDKERPWDRTMI-UHFFFAOYSA-N -1 0 322.233 1.596 20 5 DDBDRM COC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001116245076 780488227 /nfs/dbraw/zinc/48/82/27/780488227.db2.gz FBXAYQGDGPURIW-SECBINFHSA-N -1 0 316.335 1.072 20 5 DDBDRM CCC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NC)C(=O)[O-] ZINC001117845533 780915189 /nfs/dbraw/zinc/91/51/89/780915189.db2.gz PTOABPCHVDVBLM-VIFPVBQESA-N -1 0 309.322 1.867 20 5 DDBDRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC001156200203 862807364 /nfs/dbraw/zinc/80/73/64/862807364.db2.gz AGBLTLJUZWWSKV-UHFFFAOYSA-N -1 0 322.252 1.926 20 5 DDBDRM CC1(C)CC[C@@H](CO)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001156254936 862872141 /nfs/dbraw/zinc/87/21/41/862872141.db2.gz SFZQQAURXHBAAM-NSHDSACASA-N -1 0 308.334 1.924 20 5 DDBDRM O=C(NC[C@H]1CC[C@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001157552794 863917001 /nfs/dbraw/zinc/91/70/01/863917001.db2.gz NVBULXASAOKRLS-BXUZGUMPSA-N -1 0 306.318 1.988 20 5 DDBDRM Cc1cc(Cl)c([N+](=O)[O-])c(NCC(=O)CCC(=O)[O-])n1 ZINC001160873890 866161454 /nfs/dbraw/zinc/16/14/54/866161454.db2.gz LLHLRBLKUDTEOJ-UHFFFAOYSA-N -1 0 301.686 1.797 20 5 DDBDRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001321202871 867399332 /nfs/dbraw/zinc/39/93/32/867399332.db2.gz GFUMPTVZUSPXJL-UHFFFAOYSA-N -1 0 304.262 1.587 20 5 DDBDRM C[C@](CO)(NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001163973318 868838469 /nfs/dbraw/zinc/83/84/69/868838469.db2.gz JSGYSVHDWSCCSS-MRXNPFEDSA-N -1 0 316.313 1.938 20 5 DDBDRM CCOC(=O)N1CCC[C@@H](Oc2[n-]c(=O)ncc2[N+](=O)[O-])C1 ZINC001226331735 882357939 /nfs/dbraw/zinc/35/79/39/882357939.db2.gz NWKDMMNTHMVXNM-MRVPVSSYSA-N -1 0 312.282 1.090 20 5 DDBDRM COc1cccc(C(=O)N[C@@H](C)c2nn(C)cc2[O-])c1[N+](=O)[O-] ZINC001304545442 871225400 /nfs/dbraw/zinc/22/54/00/871225400.db2.gz UGKSRQZFNZRXIR-QMMMGPOBSA-N -1 0 320.305 1.534 20 5 DDBDRM CCC(=O)NC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001308077554 871469816 /nfs/dbraw/zinc/46/98/16/871469816.db2.gz MRZVZUBOCJZPKY-UHFFFAOYSA-N -1 0 307.350 1.791 20 5 DDBDRM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ncc[n-]1 ZINC001309371922 871567586 /nfs/dbraw/zinc/56/75/86/871567586.db2.gz NFJYHUVHOSGDPH-UHFFFAOYSA-N -1 0 311.275 1.288 20 5 DDBDRM Cc1nc([N-]c2cnn(C[C@H]3CCCO3)c2)ncc1[N+](=O)[O-] ZINC001344114489 872858534 /nfs/dbraw/zinc/85/85/34/872858534.db2.gz YLMMZJGABPUPLC-LLVKDONJSA-N -1 0 304.310 1.812 20 5 DDBDRM Cn1c(-c2c[nH]c(=O)c([N+](=O)[O-])c2)nnc1N1CCCCCC1 ZINC001345567821 873442017 /nfs/dbraw/zinc/44/20/17/873442017.db2.gz TWBMDKMDBLYTDU-UHFFFAOYSA-N -1 0 318.337 1.871 20 5 DDBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001353438118 877330455 /nfs/dbraw/zinc/33/04/55/877330455.db2.gz QWHUWJBKYZOTSG-IINYFYTJSA-N -1 0 306.318 1.942 20 5 DDBDRM 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