smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000566284053 306407097 /nfs/dbraw/zinc/40/70/97/306407097.db2.gz RWEGAGLMZKTDAN-SNVBAGLBSA-N 0 2 345.359 1.928 20 5 EDBDLN COC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1C(C)C ZINC000345083602 291417327 /nfs/dbraw/zinc/41/73/27/291417327.db2.gz VBPNHMCCJWWMRV-RISCZKNCSA-N 0 2 336.344 1.960 20 5 EDBDLN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000102468929 204039381 /nfs/dbraw/zinc/03/93/81/204039381.db2.gz VAGYLPRGYMUPMM-SECBINFHSA-N 0 2 347.293 1.914 20 5 EDBDLN O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000159081250 205398294 /nfs/dbraw/zinc/39/82/94/205398294.db2.gz WVPSMCIWMATCKW-LBPRGKRZSA-N 0 2 328.328 1.704 20 5 EDBDLN O=C(NC[C@H](CO)Cc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000352980231 149238736 /nfs/dbraw/zinc/23/87/36/149238736.db2.gz ANPVLZJDGCHNAW-CYBMUJFWSA-N 0 2 330.340 1.881 20 5 EDBDLN Cc1nc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CCO2)no1 ZINC000364306205 153201667 /nfs/dbraw/zinc/20/16/67/153201667.db2.gz ULUKWPZUJLWVHR-GFCCVEGCSA-N 0 2 334.288 1.206 20 5 EDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCN(c2ncccn2)CC1 ZINC000371619999 156032843 /nfs/dbraw/zinc/03/28/43/156032843.db2.gz FCVVBIRSAKVEDW-UHFFFAOYSA-N 0 2 343.343 1.443 20 5 EDBDLN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374374957 157266568 /nfs/dbraw/zinc/26/65/68/157266568.db2.gz OREYOZBEEHVNJI-CYBMUJFWSA-N 0 2 328.328 1.482 20 5 EDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331731002 304501533 /nfs/dbraw/zinc/50/15/33/304501533.db2.gz PNPSPSWOIBRDMR-GFCCVEGCSA-N 0 2 347.371 1.775 20 5 EDBDLN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274918980 268238606 /nfs/dbraw/zinc/23/86/06/268238606.db2.gz IWIUJOCOHCEILC-LLVKDONJSA-N 0 2 347.331 1.303 20 5 EDBDLN COc1ccc(S(=O)(=O)Nc2nnc(C(C)C)o2)c([N+](=O)[O-])c1 ZINC000275440332 268342759 /nfs/dbraw/zinc/34/27/59/268342759.db2.gz FQPOYBNUHRECRI-UHFFFAOYSA-N 0 2 342.333 1.911 20 5 EDBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000277178636 268524002 /nfs/dbraw/zinc/52/40/02/268524002.db2.gz YULVSWNYMMSHDS-SNVBAGLBSA-N 0 2 340.357 1.454 20 5 EDBDLN CCCc1nnc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000278500589 268672091 /nfs/dbraw/zinc/67/20/91/268672091.db2.gz NUGUGJPDVKVGEO-UHFFFAOYSA-N 0 2 342.333 1.740 20 5 EDBDLN CCc1n[nH]c(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1CC ZINC000092549029 272917414 /nfs/dbraw/zinc/91/74/14/272917414.db2.gz ODGMGVAETVKZEX-UHFFFAOYSA-N 0 2 332.316 1.761 20 5 EDBDLN O=C(NCCCN1CCCCCC1=O)c1ccc([N+](=O)[O-])cc1O ZINC000184606309 272945369 /nfs/dbraw/zinc/94/53/69/272945369.db2.gz DXKPNWTYPPEMQQ-UHFFFAOYSA-N 0 2 335.360 1.823 20 5 EDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(N2CCCC2=O)CC1 ZINC000280775762 273396879 /nfs/dbraw/zinc/39/68/79/273396879.db2.gz MVOBXYFFPCUCSW-UHFFFAOYSA-N 0 2 333.344 1.527 20 5 EDBDLN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280908316 273413603 /nfs/dbraw/zinc/41/36/03/273413603.db2.gz IEQUEBDVNFXRMM-VIFPVBQESA-N 0 2 330.362 1.196 20 5 EDBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCOCCOC ZINC000281989831 273565500 /nfs/dbraw/zinc/56/55/00/273565500.db2.gz MQQMIHXWTPZVBK-UHFFFAOYSA-N 0 2 348.377 1.398 20 5 EDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000286165163 287950975 /nfs/dbraw/zinc/95/09/75/287950975.db2.gz HOSUXIBSMAZMLA-YUTCNCBUSA-N 0 2 336.344 1.302 20 5 EDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1c2c(nn1C)CCC2 ZINC000270480468 301015171 /nfs/dbraw/zinc/01/51/71/301015171.db2.gz QFKROXKEFQUXOB-UHFFFAOYSA-N 0 2 336.373 1.926 20 5 EDBDLN NC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436683047 305165339 /nfs/dbraw/zinc/16/53/39/305165339.db2.gz XGAGCVDVZNVHHL-ZDUSSCGKSA-N 0 2 329.312 1.647 20 5 EDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000456797342 305473360 /nfs/dbraw/zinc/47/33/60/305473360.db2.gz ATSYUXWFSHKYFW-PWSUYJOCSA-N 0 2 340.357 1.092 20 5 EDBDLN CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000542793089 306058439 /nfs/dbraw/zinc/05/84/39/306058439.db2.gz HJTRZZKYSPVWNQ-UHFFFAOYSA-N 0 2 339.377 1.321 20 5 EDBDLN CC(C)Cn1cc[nH+]c1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000542793089 306058440 /nfs/dbraw/zinc/05/84/40/306058440.db2.gz HJTRZZKYSPVWNQ-UHFFFAOYSA-N 0 2 339.377 1.321 20 5 EDBDLN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])c2)n1 ZINC000046067170 441078566 /nfs/dbraw/zinc/07/85/66/441078566.db2.gz CUJKBJQBHHQAFF-OLZOCXBDSA-N 0 2 328.328 1.603 20 5 EDBDLN CN(C)c1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000105565741 441259062 /nfs/dbraw/zinc/25/90/62/441259062.db2.gz IRVXXJKQZXFKQY-UHFFFAOYSA-N 0 2 328.375 1.918 20 5 EDBDLN CC(C)(C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000074509436 441442510 /nfs/dbraw/zinc/44/25/10/441442510.db2.gz UXLQETOTGQCTHP-UHFFFAOYSA-N 0 2 335.360 1.631 20 5 EDBDLN NC(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000032087071 441545642 /nfs/dbraw/zinc/54/56/42/441545642.db2.gz WJKHYMQKXVHGFG-UHFFFAOYSA-N 0 2 339.304 1.634 20 5 EDBDLN C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162575686 442105056 /nfs/dbraw/zinc/10/50/56/442105056.db2.gz BDIYYDQDKJEPMU-QGZVFWFLSA-N 0 2 346.431 1.376 20 5 EDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)c1 ZINC000194635811 442928712 /nfs/dbraw/zinc/92/87/12/442928712.db2.gz RDOKSNPURDMBKC-UHFFFAOYSA-N 0 2 346.328 1.371 20 5 EDBDLN Cn1nccc1N1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000278492892 443346295 /nfs/dbraw/zinc/34/62/95/443346295.db2.gz GVWRXDRYJSFPJY-NSHDSACASA-N 0 2 345.359 1.433 20 5 EDBDLN CCn1cnnc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000272423074 443620746 /nfs/dbraw/zinc/62/07/46/443620746.db2.gz QRTAZGIDHKTNRH-NSHDSACASA-N 0 2 345.359 1.932 20 5 EDBDLN CC(C)(C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)C1CC1 ZINC000286206599 443667659 /nfs/dbraw/zinc/66/76/59/443667659.db2.gz WOEFLLZPVKHASM-UHFFFAOYSA-N 0 2 328.346 1.595 20 5 EDBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000340726270 444490704 /nfs/dbraw/zinc/49/07/04/444490704.db2.gz NLOKNQULGQYNCK-UHFFFAOYSA-N 0 2 348.287 1.563 20 5 EDBDLN CCO[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000342127595 444523367 /nfs/dbraw/zinc/52/33/67/444523367.db2.gz RWVLAJXNOIGIBK-YUELXQCFSA-N 0 2 346.343 1.645 20 5 EDBDLN CS(=O)(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000356246814 445697236 /nfs/dbraw/zinc/69/72/36/445697236.db2.gz STSUVDHCCVTPKD-GWCFXTLKSA-N 0 2 342.373 1.386 20 5 EDBDLN Cc1ccc(C(=O)NCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000350665787 445875376 /nfs/dbraw/zinc/87/53/76/445875376.db2.gz ZKEBUGHGIYPVSS-UHFFFAOYSA-N 0 2 343.339 1.769 20 5 EDBDLN CC(C)CN1N=C(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCC1=O ZINC000373585930 446272070 /nfs/dbraw/zinc/27/20/70/446272070.db2.gz PCKBDYDNEYLLTD-UHFFFAOYSA-N 0 2 334.332 1.873 20 5 EDBDLN O=C(Nc1ccc2nn[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531855323 448159892 /nfs/dbraw/zinc/15/98/92/448159892.db2.gz GAHWOENVEGJTBH-UHFFFAOYSA-N 0 2 327.256 1.847 20 5 EDBDLN O=C([O-])c1cn([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)nn1 ZINC000516076272 448376868 /nfs/dbraw/zinc/37/68/68/448376868.db2.gz JEMKDJSJMQOSJW-JTQLQIEISA-N 0 2 337.361 1.783 20 5 EDBDLN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)nn1 ZINC000516076272 448376870 /nfs/dbraw/zinc/37/68/70/448376870.db2.gz JEMKDJSJMQOSJW-JTQLQIEISA-N 0 2 337.361 1.783 20 5 EDBDLN O=C([O-])c1ccc(N2CCCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH+]c1 ZINC000573688534 448690592 /nfs/dbraw/zinc/69/05/92/448690592.db2.gz UQFSTSSPDPACLU-UHFFFAOYSA-N 0 2 343.343 1.800 20 5 EDBDLN O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000590426609 449155340 /nfs/dbraw/zinc/15/53/40/449155340.db2.gz DKAZUZPNDVASFV-JMCQJSRRSA-N 0 2 334.250 1.876 20 5 EDBDLN COC[C@@]1(C(=O)OC)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597957384 449159637 /nfs/dbraw/zinc/15/96/37/449159637.db2.gz JVSQQDRFTDFPNE-OAHLLOKOSA-N 0 2 338.316 1.095 20 5 EDBDLN CC[C@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593289296 449208267 /nfs/dbraw/zinc/20/82/67/449208267.db2.gz VZFNBVIIJAZCSD-SNVBAGLBSA-N 0 2 329.740 1.982 20 5 EDBDLN CC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593289296 449208275 /nfs/dbraw/zinc/20/82/75/449208275.db2.gz VZFNBVIIJAZCSD-SNVBAGLBSA-N 0 2 329.740 1.982 20 5 EDBDLN Cc1oc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nc1C1CC1 ZINC000600668608 449482407 /nfs/dbraw/zinc/48/24/07/449482407.db2.gz NPMWAONANJGYAQ-UHFFFAOYSA-N 0 2 327.322 1.303 20 5 EDBDLN COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598773976 449593977 /nfs/dbraw/zinc/59/39/77/449593977.db2.gz FHNUFAWPDMKMKC-CMPLNLGQSA-N 0 2 338.316 1.093 20 5 EDBDLN CCc1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)o1 ZINC000619507605 450495473 /nfs/dbraw/zinc/49/54/73/450495473.db2.gz RGZPTPGNCXCKJW-UHFFFAOYSA-N 0 2 327.318 1.955 20 5 EDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C(C)(C)C(=O)[O-] ZINC000737905704 579138543 /nfs/dbraw/zinc/13/85/43/579138543.db2.gz PWUWCJSTFSLBDF-UHFFFAOYSA-N 0 2 325.321 1.337 20 5 EDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000737905704 579138544 /nfs/dbraw/zinc/13/85/44/579138544.db2.gz PWUWCJSTFSLBDF-UHFFFAOYSA-N 0 2 325.321 1.337 20 5 EDBDLN CCn1cc(S(=O)(=O)NC(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000749216193 579717276 /nfs/dbraw/zinc/71/72/76/579717276.db2.gz FTVAMQRDGVPBOZ-UHFFFAOYSA-N 0 2 338.345 1.238 20 5 EDBDLN CC(C)(C)OC(=O)N1CC(NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000770493109 580262196 /nfs/dbraw/zinc/26/21/96/580262196.db2.gz ALTMFZAAIVPFRL-UHFFFAOYSA-N 0 2 337.332 1.650 20 5 EDBDLN O=C(NN1CCc2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000773700749 580344214 /nfs/dbraw/zinc/34/42/14/580344214.db2.gz CCGFTWDYGCPNIA-UHFFFAOYSA-N 0 2 327.296 1.644 20 5 EDBDLN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)n1 ZINC000779772135 580496787 /nfs/dbraw/zinc/49/67/87/580496787.db2.gz UMNWOCWVGFVIBQ-UHFFFAOYSA-N 0 2 327.203 1.767 20 5 EDBDLN COc1ccc([C@H](O)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000788281885 580715999 /nfs/dbraw/zinc/71/59/99/580715999.db2.gz URBLIZDXVYCFFD-OAHLLOKOSA-N 0 2 332.312 1.772 20 5 EDBDLN CCn1cc(S(=O)(=O)Nc2ccc(Cl)nc2C)c([N+](=O)[O-])n1 ZINC000788495467 580722912 /nfs/dbraw/zinc/72/29/12/580722912.db2.gz LTEJSEAXBYDZGX-UHFFFAOYSA-N 0 2 345.768 1.969 20 5 EDBDLN Cc1nn(C[N@H+]2C[C@@H](C)N(C(=O)[O-])C[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000833920738 594965551 /nfs/dbraw/zinc/96/55/51/594965551.db2.gz BPEAVRMFKFMRDL-VHSXEESVSA-N 0 2 348.363 1.678 20 5 EDBDLN Cc1nn(C[N@@H+]2C[C@@H](C)N(C(=O)[O-])C[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000833920738 594965552 /nfs/dbraw/zinc/96/55/52/594965552.db2.gz BPEAVRMFKFMRDL-VHSXEESVSA-N 0 2 348.363 1.678 20 5 EDBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccc(N3CCOCC3)c(F)c2)no1 ZINC000842496241 595122400 /nfs/dbraw/zinc/12/24/00/595122400.db2.gz VUCVOYWSTCFKIT-ZWNOBZJWSA-N 0 2 334.307 1.845 20 5 EDBDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854494660 596098460 /nfs/dbraw/zinc/09/84/60/596098460.db2.gz DYLWIWUMAJVANB-UHFFFAOYSA-N 0 2 334.254 1.573 20 5 EDBDLN Cc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)on1 ZINC000073119266 138213678 /nfs/dbraw/zinc/21/36/78/138213678.db2.gz KCPIKILKXKZCSQ-UHFFFAOYSA-N 0 2 346.343 1.555 20 5 EDBDLN O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089540839 138274584 /nfs/dbraw/zinc/27/45/84/138274584.db2.gz FTJBAFXYIUXZKB-UHFFFAOYSA-N 0 2 340.299 1.457 20 5 EDBDLN CNc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000565026236 306372848 /nfs/dbraw/zinc/37/28/48/306372848.db2.gz IWLNBLTYLOEBQY-UHFFFAOYSA-N 0 2 346.347 1.480 20 5 EDBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(-n2cnnn2)c1 ZINC000119823251 204367741 /nfs/dbraw/zinc/36/77/41/204367741.db2.gz WIAOLPNZGCWXDK-UHFFFAOYSA-N 0 2 346.328 1.371 20 5 EDBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccnc1 ZINC000568461503 306481651 /nfs/dbraw/zinc/48/16/51/306481651.db2.gz NCSNAYPGSYBZNX-CYBMUJFWSA-N 0 2 331.284 1.340 20 5 EDBDLN Cc1sc(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000119404988 221312638 /nfs/dbraw/zinc/31/26/38/221312638.db2.gz JQMKWAYZCMYSFN-UHFFFAOYSA-N 0 2 343.390 1.622 20 5 EDBDLN O=C(NC[C@@H]1COc2ccccc2O1)c1cc(O)ccc1[N+](=O)[O-] ZINC000348506381 143436886 /nfs/dbraw/zinc/43/68/86/143436886.db2.gz JKFJAOIUNSVJOF-LLVKDONJSA-N 0 2 330.296 1.870 20 5 EDBDLN NC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000357473569 151042428 /nfs/dbraw/zinc/04/24/28/151042428.db2.gz LSCAKGMHHLVXEK-UHFFFAOYSA-N 0 2 337.313 1.200 20 5 EDBDLN Cc1nc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CCO2)no1 ZINC000364295813 153199075 /nfs/dbraw/zinc/19/90/75/153199075.db2.gz ALZDVNYSIFYEFT-LBPRGKRZSA-N 0 2 334.288 1.206 20 5 EDBDLN 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CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184734649 443068951 /nfs/dbraw/zinc/06/89/51/443068951.db2.gz IQHTXWZWWFTOED-LBPRGKRZSA-N 0 2 349.387 1.925 20 5 EDBDLN Cc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)cc[nH+]1 ZINC000184943097 443102769 /nfs/dbraw/zinc/10/27/69/443102769.db2.gz CNHRFVKDDJIKNB-UHFFFAOYSA-N 0 2 343.343 1.361 20 5 EDBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](CO)C1 ZINC000266896838 443284062 /nfs/dbraw/zinc/28/40/62/443284062.db2.gz FICYVZSMSZXIQU-NXEZZACHSA-N 0 2 327.768 1.889 20 5 EDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000436736573 320021297 /nfs/dbraw/zinc/02/12/97/320021297.db2.gz JEODLIWROCIRDB-UHFFFAOYSA-N 0 2 333.222 1.105 20 5 EDBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436870873 320026830 /nfs/dbraw/zinc/02/68/30/320026830.db2.gz QXHYSXPZNNHDLX-CQSZACIVSA-N 0 2 330.296 1.945 20 5 EDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCN(c2cnccn2)CC1 ZINC000280801174 443746423 /nfs/dbraw/zinc/74/64/23/443746423.db2.gz PMBKDORSVKJTRB-UHFFFAOYSA-N 0 2 329.316 1.053 20 5 EDBDLN CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000285727707 444087473 /nfs/dbraw/zinc/08/74/73/444087473.db2.gz DRCNFKXWDFCADP-RNCFNFMXSA-N 0 2 326.349 1.188 20 5 EDBDLN COc1ccc(OCC[N@@H+]2CCO[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000563277613 321104578 /nfs/dbraw/zinc/10/45/78/321104578.db2.gz UHJPIAQPVQTTRH-LBPRGKRZSA-N 0 2 340.332 1.158 20 5 EDBDLN COc1ccc(OCC[N@H+]2CCO[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000563277613 321104579 /nfs/dbraw/zinc/10/45/79/321104579.db2.gz UHJPIAQPVQTTRH-LBPRGKRZSA-N 0 2 340.332 1.158 20 5 EDBDLN COc1ccc(OCC[N@@H+]2CCO[C@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000563277610 321104625 /nfs/dbraw/zinc/10/46/25/321104625.db2.gz UHJPIAQPVQTTRH-GFCCVEGCSA-N 0 2 340.332 1.158 20 5 EDBDLN COc1ccc(OCC[N@H+]2CCO[C@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000563277610 321104626 /nfs/dbraw/zinc/10/46/26/321104626.db2.gz UHJPIAQPVQTTRH-GFCCVEGCSA-N 0 2 340.332 1.158 20 5 EDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000339205212 445088015 /nfs/dbraw/zinc/08/80/15/445088015.db2.gz ORFRTCFVCGWYSA-VIFPVBQESA-N 0 2 334.288 1.409 20 5 EDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(Cc2ccco2)CC1 ZINC000348688860 445348021 /nfs/dbraw/zinc/34/80/21/445348021.db2.gz RZNJNGIMEFOKTO-UHFFFAOYSA-N 0 2 331.328 1.851 20 5 EDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000359649579 445356649 /nfs/dbraw/zinc/35/66/49/445356649.db2.gz OCSIAKFJJSNREU-ZDUSSCGKSA-N 0 2 336.344 1.711 20 5 EDBDLN Cc1[nH]nc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c1[N+](=O)[O-] ZINC000354835292 445416409 /nfs/dbraw/zinc/41/64/09/445416409.db2.gz KSTANNYHBSBGKY-UHFFFAOYSA-N 0 2 330.260 1.634 20 5 EDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)CCOC2)s1 ZINC000351163694 446003930 /nfs/dbraw/zinc/00/39/30/446003930.db2.gz IMJVIGUZJOMFBL-QMMMGPOBSA-N 0 2 346.308 1.656 20 5 EDBDLN Cn1cnnc1-c1cncc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000354270123 446066175 /nfs/dbraw/zinc/06/61/75/446066175.db2.gz DPEDLLXQHAXKKT-UHFFFAOYSA-N 0 2 340.299 1.743 20 5 EDBDLN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000366730086 446325964 /nfs/dbraw/zinc/32/59/64/446325964.db2.gz NOEDZRPJAPMRJF-NSHDSACASA-N 0 2 343.343 1.489 20 5 EDBDLN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000367679501 446574594 /nfs/dbraw/zinc/57/45/94/446574594.db2.gz HNYFWVVBOVVCFW-LLVKDONJSA-N 0 2 336.344 1.711 20 5 EDBDLN COc1c(F)cc(S(=O)(=O)Nc2cncnc2)cc1[N+](=O)[O-] ZINC000488282239 447844715 /nfs/dbraw/zinc/84/47/15/447844715.db2.gz UHMHHZBKXFQKBU-UHFFFAOYSA-N 0 2 328.281 1.333 20 5 EDBDLN CCc1nnc(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)o1 ZINC000514602312 448170348 /nfs/dbraw/zinc/17/03/48/448170348.db2.gz CBANEZSTNOEERI-UHFFFAOYSA-N 0 2 326.334 1.903 20 5 EDBDLN Cc1nnc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000532879574 448326998 /nfs/dbraw/zinc/32/69/98/448326998.db2.gz ZZAKYAPXRRWHFI-ZCFIWIBFSA-N 0 2 346.752 1.979 20 5 EDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(CCO)C1CCSCC1 ZINC000539926049 448625768 /nfs/dbraw/zinc/62/57/68/448625768.db2.gz JJAIUWQHADYDEN-UHFFFAOYSA-N 0 2 326.374 1.631 20 5 EDBDLN C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1CCO ZINC000567169239 448628595 /nfs/dbraw/zinc/62/85/95/448628595.db2.gz KJCZRXUSVDUNPH-VIFPVBQESA-N 0 2 343.767 1.092 20 5 EDBDLN C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@H+]1CCO ZINC000567169239 448628600 /nfs/dbraw/zinc/62/86/00/448628600.db2.gz KJCZRXUSVDUNPH-VIFPVBQESA-N 0 2 343.767 1.092 20 5 EDBDLN CN1C(=O)COc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc21 ZINC000545992181 448812181 /nfs/dbraw/zinc/81/21/81/448812181.db2.gz JZSSHZBMPVODFS-UHFFFAOYSA-N 0 2 343.295 1.908 20 5 EDBDLN CCCC(=O)NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000586214413 448794988 /nfs/dbraw/zinc/79/49/88/448794988.db2.gz DDFGDKOCRWZNIG-UHFFFAOYSA-N 0 2 335.360 1.821 20 5 EDBDLN COCC[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000592761094 448974940 /nfs/dbraw/zinc/97/49/40/448974940.db2.gz FNEXZZIJACJABC-UHFFFAOYSA-N 0 2 343.767 1.358 20 5 EDBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000590324649 449132094 /nfs/dbraw/zinc/13/20/94/449132094.db2.gz KRGBDEVRBKGKGL-SNVBAGLBSA-N 0 2 343.343 1.970 20 5 EDBDLN O=C([O-])C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000593290486 449209755 /nfs/dbraw/zinc/20/97/55/449209755.db2.gz GJXVFVMHMUQWFU-UHFFFAOYSA-N 0 2 341.751 1.983 20 5 EDBDLN O=C([O-])C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000593290486 449209758 /nfs/dbraw/zinc/20/97/58/449209758.db2.gz GJXVFVMHMUQWFU-UHFFFAOYSA-N 0 2 341.751 1.983 20 5 EDBDLN CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000595882582 449229796 /nfs/dbraw/zinc/22/97/96/449229796.db2.gz LTDWJZNMOCEHAA-MRVPVSSYSA-N 0 2 329.740 1.982 20 5 EDBDLN CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000595882582 449229800 /nfs/dbraw/zinc/22/98/00/449229800.db2.gz LTDWJZNMOCEHAA-MRVPVSSYSA-N 0 2 329.740 1.982 20 5 EDBDLN O=C(N[C@H](c1nn[nH]n1)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000604513364 449243165 /nfs/dbraw/zinc/24/31/65/449243165.db2.gz UQDYQFRHSODSTM-ZDUSSCGKSA-N 0 2 340.299 1.333 20 5 EDBDLN O=C(Nc1ccn(C2CCOCC2)n1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000598237624 449305451 /nfs/dbraw/zinc/30/54/51/449305451.db2.gz XSLGICBYIRTGPL-UHFFFAOYSA-N 0 2 332.316 2.101 20 5 EDBDLN O=C(c1cccc([N+](=O)[O-])c1[O-])N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598343062 449357844 /nfs/dbraw/zinc/35/78/44/449357844.db2.gz QDYJFQWXZDQQHU-UHFFFAOYSA-N 0 2 349.387 1.485 20 5 EDBDLN CC(C)(CNC(=O)c1cccc(O)c1[N+](=O)[O-])[C@@]1(O)CCCOC1 ZINC000598387250 449376263 /nfs/dbraw/zinc/37/62/63/449376263.db2.gz CZBYKGYVMRPDCD-MRXNPFEDSA-N 0 2 338.360 1.598 20 5 EDBDLN CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1O)[C@]1(O)CCCOC1 ZINC000598388635 449376647 /nfs/dbraw/zinc/37/66/47/449376647.db2.gz PQFAUBNMDBRCTM-INIZCTEOSA-N 0 2 338.360 1.598 20 5 EDBDLN CO[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCOC1 ZINC000598682082 449539521 /nfs/dbraw/zinc/53/95/21/449539521.db2.gz UECJXVHSYNJQQB-JQWIXIFHSA-N 0 2 347.331 1.370 20 5 EDBDLN COC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccco1 ZINC000594762818 449676511 /nfs/dbraw/zinc/67/65/11/449676511.db2.gz YRKUILYOWMJKCU-SECBINFHSA-N 0 2 327.318 1.249 20 5 EDBDLN CCc1[nH]nc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)c1[N+](=O)[O-] ZINC000609477011 450033448 /nfs/dbraw/zinc/03/34/48/450033448.db2.gz UUPTZJTVAHKTRV-UHFFFAOYSA-N 0 2 344.287 1.476 20 5 EDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCN(c2nccs2)CC1 ZINC000619567643 450508115 /nfs/dbraw/zinc/50/81/15/450508115.db2.gz ZSLJFTGZXATGFK-UHFFFAOYSA-N 0 2 334.357 1.719 20 5 EDBDLN O=C([O-])NC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000740594867 579366146 /nfs/dbraw/zinc/36/61/46/579366146.db2.gz RCULOHYYZZXKEU-CQSZACIVSA-N 0 2 348.359 1.432 20 5 EDBDLN C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000737472486 579096349 /nfs/dbraw/zinc/09/63/49/579096349.db2.gz UBABPQMIWNBEHZ-OAHLLOKOSA-N 0 2 343.339 1.951 20 5 EDBDLN C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000737472486 579096350 /nfs/dbraw/zinc/09/63/50/579096350.db2.gz UBABPQMIWNBEHZ-OAHLLOKOSA-N 0 2 343.339 1.951 20 5 EDBDLN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCCc1n[nH]c(=O)[nH]1 ZINC000750177592 579754912 /nfs/dbraw/zinc/75/49/12/579754912.db2.gz DNYMPZMDAWOYAH-UHFFFAOYSA-N 0 2 346.347 1.355 20 5 EDBDLN CC(=O)COC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801386776 581074889 /nfs/dbraw/zinc/07/48/89/581074889.db2.gz JUSDFIFVJHCIGH-UHFFFAOYSA-N 0 2 339.691 1.885 20 5 EDBDLN CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(-c2ncccn2)n1 ZINC000840320562 593586704 /nfs/dbraw/zinc/58/67/04/593586704.db2.gz DTYALGDJNUBIPF-NXEZZACHSA-N 0 2 330.348 1.564 20 5 EDBDLN CN1C(=S)N=NC1CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000818237826 593686399 /nfs/dbraw/zinc/68/63/99/593686399.db2.gz 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HIQGHXJPZWLNAF-GFCCVEGCSA-N 0 2 337.336 1.010 20 5 EDBDLN C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](CNC(=O)[O-])C1 ZINC000828506404 594439374 /nfs/dbraw/zinc/43/93/74/594439374.db2.gz HIQGHXJPZWLNAF-GFCCVEGCSA-N 0 2 337.336 1.010 20 5 EDBDLN CN(CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833872967 594954086 /nfs/dbraw/zinc/95/40/86/594954086.db2.gz RISSNBBWZGHZIS-ZDUSSCGKSA-N 0 2 333.348 1.617 20 5 EDBDLN Cc1nn(C[N@@H+]2CCN(C(=O)[O-])[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000833921713 594966035 /nfs/dbraw/zinc/96/60/35/594966035.db2.gz WKEUAQXLNPNMCL-SNVBAGLBSA-N 0 2 333.348 1.895 20 5 EDBDLN Cc1nn(C[N@H+]2CCN(C(=O)[O-])[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000833921713 594966037 /nfs/dbraw/zinc/96/60/37/594966037.db2.gz WKEUAQXLNPNMCL-SNVBAGLBSA-N 0 2 333.348 1.895 20 5 EDBDLN CCONC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000846495123 595251855 /nfs/dbraw/zinc/25/18/55/595251855.db2.gz MDCFGJWGBFOQFQ-UHFFFAOYSA-N 0 2 335.238 1.411 20 5 EDBDLN C[C@]1(C(=O)[O-])CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000844219117 595305386 /nfs/dbraw/zinc/30/53/86/595305386.db2.gz RDKFFYCUPGDNAY-KRWDZBQOSA-N 0 2 349.387 1.728 20 5 EDBDLN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NOCC(F)(F)F ZINC000857714723 595583571 /nfs/dbraw/zinc/58/35/71/595583571.db2.gz XBXHSFTWXUKRIA-UHFFFAOYSA-N 0 2 336.226 1.326 20 5 EDBDLN NC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120084339 596254708 /nfs/dbraw/zinc/25/47/08/596254708.db2.gz SFIBICPGDIMHKD-UHFFFAOYSA-N 0 2 327.343 1.556 20 5 EDBDLN COc1cc(S(=O)(=O)Nc2ccc(F)nc2)ccc1[N+](=O)[O-] ZINC000152819566 695380651 /nfs/dbraw/zinc/38/06/51/695380651.db2.gz MCMUUWOERLTYJB-UHFFFAOYSA-N 0 2 327.293 1.938 20 5 EDBDLN O=C(c1ccco1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179425457 233017961 /nfs/dbraw/zinc/01/79/61/233017961.db2.gz QULQKAANEBQPAN-UHFFFAOYSA-N 0 2 345.311 1.492 20 5 EDBDLN O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179434391 233030308 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EDBDLN COCCN(Cc1cccnc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352655212 149103512 /nfs/dbraw/zinc/10/35/12/149103512.db2.gz QOXSOURHNCAJPP-UHFFFAOYSA-N 0 2 331.328 1.984 20 5 EDBDLN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)n1 ZINC000355745097 150382970 /nfs/dbraw/zinc/38/29/70/150382970.db2.gz FHRPYNDJIRKNBA-UHFFFAOYSA-N 0 2 329.276 1.071 20 5 EDBDLN Cn1cc(C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cn1 ZINC000370012720 155280128 /nfs/dbraw/zinc/28/01/28/155280128.db2.gz VJUICCQHGMDJEN-NSHDSACASA-N 0 2 330.344 1.739 20 5 EDBDLN Cc1noc([C@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CCN2C)n1 ZINC000357564900 151068705 /nfs/dbraw/zinc/06/87/05/151068705.db2.gz CNVTUXGDNMVVOD-CYBMUJFWSA-N 0 2 347.331 1.121 20 5 EDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000374780234 304503858 /nfs/dbraw/zinc/50/38/58/304503858.db2.gz LVJJTDUTGOXRNA-GWCFXTLKSA-N 0 2 333.344 1.431 20 5 EDBDLN CN(C)C(=O)N1CCC(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000273385542 268038340 /nfs/dbraw/zinc/03/83/40/268038340.db2.gz RSTSYTBWIOAUSP-UHFFFAOYSA-N 0 2 336.348 1.633 20 5 EDBDLN Cc1cccc(=O)n1C[C@](C)(O)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000280439960 273363125 /nfs/dbraw/zinc/36/31/25/273363125.db2.gz YRKZTAJZGFVBDF-INIZCTEOSA-N 0 2 347.327 1.160 20 5 EDBDLN CC(C)N1C(=O)N[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC[C@@H]21 ZINC000286050068 287923318 /nfs/dbraw/zinc/92/33/18/287923318.db2.gz BNWARPQQQCOJMW-OLZOCXBDSA-N 0 2 348.359 1.317 20 5 EDBDLN O=c1[nH]nc([C@@H]2CCCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)o1 ZINC000290934186 288977036 /nfs/dbraw/zinc/97/70/36/288977036.db2.gz KILVRCFBOARCRL-SSDOTTSWSA-N 0 2 348.344 1.660 20 5 EDBDLN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000292125784 289267463 /nfs/dbraw/zinc/26/74/63/289267463.db2.gz PEKLSGVQHALVKG-SNVBAGLBSA-N 0 2 342.373 1.110 20 5 EDBDLN Cn1c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2n(C)c1=O ZINC000436632876 305163078 /nfs/dbraw/zinc/16/30/78/305163078.db2.gz GTXQAPUIANSDPH-UHFFFAOYSA-N 0 2 342.311 1.743 20 5 EDBDLN O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436910547 305169293 /nfs/dbraw/zinc/16/92/93/305169293.db2.gz RMNIGHPSWKLTBL-GFCCVEGCSA-N 0 2 334.303 1.773 20 5 EDBDLN CCCc1nnc(NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])s1 ZINC000443419613 305238141 /nfs/dbraw/zinc/23/81/41/305238141.db2.gz RFTZAHOGNNINKE-UHFFFAOYSA-N 0 2 346.394 1.416 20 5 EDBDLN COc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)c([N+](=O)[O-])c1 ZINC000078491910 441936206 /nfs/dbraw/zinc/93/62/06/441936206.db2.gz BKQCBHQAULQTED-UHFFFAOYSA-N 0 2 343.386 2.478 20 5 EDBDLN NC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000125549130 442029312 /nfs/dbraw/zinc/02/93/12/442029312.db2.gz RLLXUNDFQKCHDC-ZDUSSCGKSA-N 0 2 333.275 1.396 20 5 EDBDLN CN(C)C(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000194743344 442947119 /nfs/dbraw/zinc/94/71/19/442947119.db2.gz MXZGOPNLHMPSTI-UHFFFAOYSA-N 0 2 343.339 1.932 20 5 EDBDLN O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194744937 442948047 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346.295 1.838 20 5 EDBDLN COc1ccccc1CN(CCO)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436868370 320027008 /nfs/dbraw/zinc/02/70/08/320027008.db2.gz HSXNZPCEOPUIHX-UHFFFAOYSA-N 0 2 346.339 1.944 20 5 EDBDLN NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436961613 320028633 /nfs/dbraw/zinc/02/86/33/320028633.db2.gz BVACIVDPRGXBFZ-CYBMUJFWSA-N 0 2 329.312 1.127 20 5 EDBDLN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539924764 320756007 /nfs/dbraw/zinc/75/60/07/320756007.db2.gz NQDJXEBMLOCPAV-UHFFFAOYSA-N 0 2 331.332 1.367 20 5 EDBDLN Cn1cc([C@H]2C[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3O)CCO2)cn1 ZINC000563897042 321115049 /nfs/dbraw/zinc/11/50/49/321115049.db2.gz KTYVTDIZACLPDJ-XHDPSFHLSA-N 0 2 346.343 1.684 20 5 EDBDLN CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000285750836 444095994 /nfs/dbraw/zinc/09/59/94/444095994.db2.gz FPPPXRSBMYRCHO-ZANVPECISA-N 0 2 326.349 1.188 20 5 EDBDLN CC(C)Oc1nc(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000568664364 321301782 /nfs/dbraw/zinc/30/17/82/321301782.db2.gz QGFLQWVOGNDRGC-SNVBAGLBSA-N 0 2 348.363 1.985 20 5 EDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000331233177 444452856 /nfs/dbraw/zinc/45/28/56/444452856.db2.gz JXYRISHLQQHSJJ-GFCCVEGCSA-N 0 2 334.250 1.830 20 5 EDBDLN CC(C)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000346030530 445204967 /nfs/dbraw/zinc/20/49/67/445204967.db2.gz KRDMCWUAQMWQHF-OAHLLOKOSA-N 0 2 337.376 1.387 20 5 EDBDLN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000348496558 445307830 /nfs/dbraw/zinc/30/78/30/445307830.db2.gz RMYCYEUTKROZLG-KOLCDFICSA-N 0 2 347.331 1.031 20 5 EDBDLN CN1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)C1=O ZINC000373163659 446067651 /nfs/dbraw/zinc/06/76/51/446067651.db2.gz LPZKGXYDOQXQFV-UHFFFAOYSA-N 0 2 333.344 1.385 20 5 EDBDLN CN1CCC2(CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)C1=O ZINC000376139576 446351808 /nfs/dbraw/zinc/35/18/08/446351808.db2.gz 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343.339 1.980 20 5 EDBDLN C[C@@H](OC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1cccc([N+](=O)[O-])c1 ZINC000730659132 578654922 /nfs/dbraw/zinc/65/49/22/578654922.db2.gz YTVRGUNURVADDR-SECBINFHSA-N 0 2 343.299 1.284 20 5 EDBDLN C[C@H]1COCC[N@@H+]1CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736822654 579024141 /nfs/dbraw/zinc/02/41/41/579024141.db2.gz UEYDWXYZJNQUHJ-PYEVWLCESA-N 0 2 335.360 1.825 20 5 EDBDLN C[C@H]1COCC[N@H+]1CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736822654 579024142 /nfs/dbraw/zinc/02/41/42/579024142.db2.gz UEYDWXYZJNQUHJ-PYEVWLCESA-N 0 2 335.360 1.825 20 5 EDBDLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)ccc1[N+](=O)[O-] ZINC000766049674 580157596 /nfs/dbraw/zinc/15/75/96/580157596.db2.gz YNLOLGKIKJZRFP-UHFFFAOYSA-N 0 2 349.324 1.769 20 5 EDBDLN Cn1cc(C(=O)OCc2n[nH]c(=O)[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000774935619 580378146 /nfs/dbraw/zinc/37/81/46/580378146.db2.gz XYPDHZLUDYTCEG-UHFFFAOYSA-N 0 2 344.287 1.176 20 5 EDBDLN 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EDBDLN CCC[N@H+](CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000184930066 283112403 /nfs/dbraw/zinc/11/24/03/283112403.db2.gz SXMAUJLPZRPWMS-UHFFFAOYSA-N 0 2 329.740 1.983 20 5 EDBDLN CCC[N@@H+](CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000184930066 283112404 /nfs/dbraw/zinc/11/24/04/283112404.db2.gz SXMAUJLPZRPWMS-UHFFFAOYSA-N 0 2 329.740 1.983 20 5 EDBDLN COC(=O)[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000345125726 291416741 /nfs/dbraw/zinc/41/67/41/291416741.db2.gz FVPFLKSLWLQNHR-RISCZKNCSA-N 0 2 336.344 1.960 20 5 EDBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)CCOCC1CC1 ZINC000424205174 252161508 /nfs/dbraw/zinc/16/15/08/252161508.db2.gz FZGXAYALZUJPJR-UHFFFAOYSA-N 0 2 344.389 1.910 20 5 EDBDLN C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000263495938 139345201 /nfs/dbraw/zinc/34/52/01/139345201.db2.gz XTLQCUBIRWUKSC-UWVGGRQHSA-N 0 2 332.316 1.620 20 5 EDBDLN O=C(NCCCc1nnc2n1CCCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000270940258 140203486 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C[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594401762 449495999 /nfs/dbraw/zinc/49/59/99/449495999.db2.gz HJCSGXBYMICJOC-SDDRHHMPSA-N 0 2 337.376 1.528 20 5 EDBDLN C[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594401762 449496005 /nfs/dbraw/zinc/49/60/05/449496005.db2.gz HJCSGXBYMICJOC-SDDRHHMPSA-N 0 2 337.376 1.528 20 5 EDBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)nc1 ZINC000610316396 450191252 /nfs/dbraw/zinc/19/12/52/450191252.db2.gz DHGVXJIHAZKQIC-UHFFFAOYSA-N 0 2 339.329 1.808 20 5 EDBDLN O=C(NN1CCCC1=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000780707222 580531887 /nfs/dbraw/zinc/53/18/87/580531887.db2.gz QWCCVAHDXNQHKT-UHFFFAOYSA-N 0 2 328.122 1.625 20 5 EDBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823714598 593840097 /nfs/dbraw/zinc/84/00/97/593840097.db2.gz PWVHPEXWUOBYED-MFKMUULPSA-N 0 2 336.348 1.606 20 5 EDBDLN 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