smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[S@@](=O)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000072281124 203190903 /nfs/dbraw/zinc/19/09/03/203190903.db2.gz SNZPSEHWWABKBW-HSZRJFAPSA-N 0 1 338.389 1.748 50 5 EDBAMN Cc1cc(C)n(Cc2cccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])c2)n1 ZINC000054031889 441554811 /nfs/dbraw/zinc/55/48/11/441554811.db2.gz HVCFGXZQISQEOM-HZPDHXFCSA-N 0 1 328.372 1.830 50 5 EDBAMN CS(=O)(=O)NCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000089486793 441556547 /nfs/dbraw/zinc/55/65/47/441556547.db2.gz GFZFYPSFXNXOKL-UHFFFAOYSA-N 0 1 339.373 1.494 50 5 EDBAMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc2n[nH]nc2c1 ZINC000157300070 442569186 /nfs/dbraw/zinc/56/91/86/442569186.db2.gz RBKHNIDSCYGERS-UHFFFAOYSA-N 0 1 347.356 1.851 50 5 EDBAMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc2nn[nH]c2c1 ZINC000157300070 442569191 /nfs/dbraw/zinc/56/91/91/442569191.db2.gz RBKHNIDSCYGERS-UHFFFAOYSA-N 0 1 347.356 1.851 50 5 EDBAMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC000272283016 443579086 /nfs/dbraw/zinc/57/90/86/443579086.db2.gz UBNGERPVZCUJOQ-NOZJJQNGSA-N 0 1 340.286 1.838 50 5 EDBAMN CCc1nc2n(n1)C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)N2 ZINC000031815096 202210500 /nfs/dbraw/zinc/21/05/00/202210500.db2.gz JEJLXPHCFSUNPE-LLVKDONJSA-N 0 1 344.331 1.579 50 5 EDBAMN CC(C)(C)OC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000069895460 203060879 /nfs/dbraw/zinc/06/08/79/203060879.db2.gz WRKKHIOGUHUGMP-GHMZBOCLSA-N 0 1 327.381 1.605 50 5 EDBAMN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCc2[nH]ncc21 ZINC000177319258 207320532 /nfs/dbraw/zinc/32/05/32/207320532.db2.gz YVCCGTFLWFQIOD-NSHDSACASA-N 0 1 329.360 1.966 50 5 EDBAMN O=C1C2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000103561063 441183514 /nfs/dbraw/zinc/18/35/14/441183514.db2.gz POUUGZABYYMHEO-DZGCQCFKSA-N 0 1 337.291 1.887 50 5 EDBAMN O=C(Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1)N1CCSCC1 ZINC000065514773 441449513 /nfs/dbraw/zinc/44/95/13/441449513.db2.gz OEJOERRDRJENLA-KGLIPLIRSA-N 0 1 349.412 1.408 50 5 EDBAMN O=C(OC1CCN(c2ccc(Cl)nn2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000078989024 442005144 /nfs/dbraw/zinc/00/51/44/442005144.db2.gz FZFOBSIUAKEKFY-VHSXEESVSA-N 0 1 326.740 1.307 50 5 EDBAMN Cc1cc(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)nc(C)n1 ZINC000133157977 205357766 /nfs/dbraw/zinc/35/77/66/205357766.db2.gz SBCKOHSSDVKZHW-UHFFFAOYSA-N 0 1 345.363 1.124 50 5 EDBAMN COCCN1[C@H](C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1C ZINC000096489047 218865510 /nfs/dbraw/zinc/86/55/10/218865510.db2.gz LDSKALOQSTZQDA-TXEJJXNPSA-N 0 1 334.380 1.183 50 5 EDBAMN CCN1CCCC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000095433784 441926801 /nfs/dbraw/zinc/92/68/01/441926801.db2.gz RKDQPJLYUIYFPW-HNNXBMFYSA-N 0 1 341.433 1.889 50 5 EDBAMN Cc1nn(CCC(=O)N2CCN(CC3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000069373523 441923854 /nfs/dbraw/zinc/92/38/54/441923854.db2.gz CVURZAGNIUGOMQ-UHFFFAOYSA-N 0 1 335.408 1.352 50 5 EDBAMN CC(C)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000095427685 441925889 /nfs/dbraw/zinc/92/58/89/441925889.db2.gz DQTHIZUEKNATSW-CQSZACIVSA-N 0 1 345.359 1.965 50 5 EDBAMN O=C(Nc1cccnc1)c1ccc(CNC(=O)[C@H]2CC2[N+](=O)[O-])cc1 ZINC000078878915 441982504 /nfs/dbraw/zinc/98/25/04/441982504.db2.gz RYWWTBXZRURRAQ-GJZGRUSLSA-N 0 1 340.339 1.615 50 5 EDBAMN NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004544865 440920855 /nfs/dbraw/zinc/92/08/55/440920855.db2.gz KNDZCZRECXTRHP-HNNXBMFYSA-N 0 1 342.355 1.220 50 5 EDBAMN COc1ccccc1C(=O)NC(=O)COc1ccc(C)nc1[N+](=O)[O-] ZINC000007229434 441041158 /nfs/dbraw/zinc/04/11/58/441041158.db2.gz WMQORNLZDCNSST-UHFFFAOYSA-N 0 1 345.311 1.642 50 5 EDBAMN Cn1cc([N+](=O)[O-])cc1C(=O)n1cc(C(=O)c2ccccc2O)cn1 ZINC000014198670 441178455 /nfs/dbraw/zinc/17/84/55/441178455.db2.gz MNCGOUBTBFKRQE-UHFFFAOYSA-N 0 1 340.295 1.755 50 5 EDBAMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000079018932 442009909 /nfs/dbraw/zinc/00/99/09/442009909.db2.gz LBMGCTXHPQNBDL-HNNXBMFYSA-N 0 1 333.388 1.318 50 5 EDBAMN C[C@H](CN1CCCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000195574149 443034104 /nfs/dbraw/zinc/03/41/04/443034104.db2.gz PYXHYKVYZQCVGS-CYBMUJFWSA-N 0 1 341.433 1.889 50 5 EDBAMN CN1CCN(C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025055626 202125792 /nfs/dbraw/zinc/12/57/92/202125792.db2.gz QRGOELOATXARKV-UHFFFAOYSA-N 0 1 335.408 1.742 50 5 EDBAMN O=C1COc2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2N1 ZINC000011908676 441125465 /nfs/dbraw/zinc/12/54/65/441125465.db2.gz LCDVKMXUPUCZND-UHFFFAOYSA-N 0 1 349.324 1.727 50 5 EDBAMN CC1(C)[C@@H](O)C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408514031 447667368 /nfs/dbraw/zinc/66/73/68/447667368.db2.gz CKJDZIRAPZREFH-STQMWFEESA-N 0 1 328.390 1.118 50 5 EDBAMN Cn1ncnc1CCNC(=O)c1c[nH]c2c3ccccc3ccc2c1=O ZINC000221219791 443070277 /nfs/dbraw/zinc/07/02/77/443070277.db2.gz AJZRTWDKLLDTSL-UHFFFAOYSA-N 0 1 347.378 1.782 50 5 EDBAMN Cc1cc(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000072286232 441221562 /nfs/dbraw/zinc/22/15/62/441221562.db2.gz ROKCTUCHZRRAPB-ZDUSSCGKSA-N 0 1 339.417 1.666 50 5 EDBAMN Cn1c(=O)oc2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000062089574 441296676 /nfs/dbraw/zinc/29/66/76/441296676.db2.gz VYCLVIQRXUBHLG-UHFFFAOYSA-N 0 1 349.324 1.841 50 5 EDBAMN O=C(OC1CCN(c2ccc(Cl)nn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000078989008 442005135 /nfs/dbraw/zinc/00/51/35/442005135.db2.gz FZFOBSIUAKEKFY-ZJUUUORDSA-N 0 1 326.740 1.307 50 5 EDBAMN [NH3+]C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000195544582 303424792 /nfs/dbraw/zinc/42/47/92/303424792.db2.gz WDOLRPBIJGFBFM-SCZZXKLOSA-N 0 1 333.797 1.654 50 5 EDBAMN CCCc1[nH]nc(C(=O)N2CCC(C(=O)NC3CC3)CC2)c1[N+](=O)[O-] ZINC000071890312 441186068 /nfs/dbraw/zinc/18/60/68/441186068.db2.gz RREMPSWWLAYGKY-UHFFFAOYSA-N 0 1 349.391 1.401 50 5 EDBAMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000069845386 442055219 /nfs/dbraw/zinc/05/52/19/442055219.db2.gz KIRSITHYQCBMCV-GFCCVEGCSA-N 0 1 325.390 1.357 50 5 EDBAMN CN(C)CC1(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC1 ZINC000225577114 443114097 /nfs/dbraw/zinc/11/40/97/443114097.db2.gz KDYSBYBYVQIYAF-UHFFFAOYSA-N 0 1 327.406 1.895 50 5 EDBAMN CCc1nc2n(n1)C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)N2 ZINC000031815101 258058413 /nfs/dbraw/zinc/05/84/13/258058413.db2.gz JEJLXPHCFSUNPE-NSHDSACASA-N 0 1 344.331 1.579 50 5 EDBAMN O=[N+]([O-])c1cc[n+]([O-])cc1N1CCN(CCc2cccs2)CC1 ZINC000408522048 447672640 /nfs/dbraw/zinc/67/26/40/447672640.db2.gz CHTINBCLLFPPBQ-UHFFFAOYSA-N 0 1 334.401 1.654 50 5 EDBAMN O=C(NCCc1cnc[nH]1)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000009421728 441104995 /nfs/dbraw/zinc/10/49/95/441104995.db2.gz FFRZRDBIFJGWIL-UHFFFAOYSA-N 0 1 344.375 1.288 50 5 EDBAMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000095446283 218389865 /nfs/dbraw/zinc/38/98/65/218389865.db2.gz RZRRWLSCYUVFGX-ZIAGYGMSSA-N 0 1 345.355 1.553 50 5 EDBAMN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC1[N+](=O)[O-])CC3 ZINC000047298709 441174576 /nfs/dbraw/zinc/17/45/76/441174576.db2.gz ZKCLSLFYHBOXBA-NHYWBVRUSA-N 0 1 343.339 1.504 50 5 EDBAMN O=C(OC1CCN(c2nncc3ccccc32)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000083771412 486227128 /nfs/dbraw/zinc/22/71/28/486227128.db2.gz HDCCCJYGEZUBMY-HUUCEWRRSA-N 0 1 342.355 1.807 50 5 EDBAMN O=C([O-])C[C@H]([NH2+]Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004888813 210313527 /nfs/dbraw/zinc/31/35/27/210313527.db2.gz YONMICHHOKPNMK-ZDUSSCGKSA-N 0 1 333.300 1.759 50 5 EDBAMN Cc1ccnc(NC2CCN([C@H]3CCN(C)C3=O)CC2)c1[N+](=O)[O-] ZINC000521398469 257929085 /nfs/dbraw/zinc/92/90/85/257929085.db2.gz ILDURKLERACUFA-ZDUSSCGKSA-N 0 1 333.392 1.405 50 5 EDBAMN O=c1[nH]c(=O)n(Cc2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000075143849 441502600 /nfs/dbraw/zinc/50/26/00/441502600.db2.gz IOHDKLQPIONOHP-UHFFFAOYSA-N 0 1 345.233 1.847 50 5 EDBAMN CN(Cc1ccccc1)C1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000288357719 258012414 /nfs/dbraw/zinc/01/24/14/258012414.db2.gz KMJLPDXOAIJJQH-UHFFFAOYSA-N 0 1 329.360 1.134 50 5 EDBAMN [NH3+]C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000195544581 295256136 /nfs/dbraw/zinc/25/61/36/295256136.db2.gz WDOLRPBIJGFBFM-WPRPVWTQSA-N 0 1 333.797 1.654 50 5 EDBAMN O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000058357047 441185757 /nfs/dbraw/zinc/18/57/57/441185757.db2.gz KLAJQUAOGBACOJ-OLZOCXBDSA-N 0 1 348.355 1.245 50 5 EDBAMN O=c1[nH]c(=O)n(Cc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000069901128 442072207 /nfs/dbraw/zinc/07/22/07/442072207.db2.gz YPUGCKUCQVBWOC-UHFFFAOYSA-N 0 1 349.690 1.197 50 5 EDBAMN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000096423122 442124213 /nfs/dbraw/zinc/12/42/13/442124213.db2.gz ATJABBMJXLGKEH-XWIASGKRSA-N 0 1 337.763 1.617 50 5 EDBAMN Cc1ccc([C@](O)(CCNC(=O)[C@H]2CC2[N+](=O)[O-])C(F)(F)F)o1 ZINC000247892813 442872459 /nfs/dbraw/zinc/87/24/59/442872459.db2.gz GHFOXOFBUJFRDV-YGOYTEALSA-N 0 1 336.266 1.509 50 5 EDBAMN O=[N+]([O-])c1ccc(CSC(=S)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000003904420 210089272 /nfs/dbraw/zinc/08/92/72/210089272.db2.gz QLXSKISOUXDVMK-JTQLQIEISA-N 0 1 346.455 1.890 50 5 EDBAMN O=C1C2ON=C(c3cccnc3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000104072398 219344576 /nfs/dbraw/zinc/34/45/76/219344576.db2.gz NWCFZYPDLOEEQX-GXTWGEPZSA-N 0 1 338.279 1.282 50 5 EDBAMN CN(Cc1ccccc1)C1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000286362124 443698463 /nfs/dbraw/zinc/69/84/63/443698463.db2.gz NGZHSAOCUYJHKH-UHFFFAOYSA-N 0 1 341.371 1.409 50 5 EDBAMN O=C(OC1CCN(c2nncc3ccccc32)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000083771413 486227233 /nfs/dbraw/zinc/22/72/33/486227233.db2.gz HDCCCJYGEZUBMY-LSDHHAIUSA-N 0 1 342.355 1.807 50 5 EDBAMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(CS(N)(=O)=O)CC1 ZINC000104377015 219381275 /nfs/dbraw/zinc/38/12/75/219381275.db2.gz RPLZNRITFYTUTJ-GFCCVEGCSA-N 0 1 341.433 1.965 50 5 EDBAMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCN1CCCC1 ZINC000069323261 215377765 /nfs/dbraw/zinc/37/77/65/215377765.db2.gz NUJQSLDXLKUSPB-UHFFFAOYSA-N 0 1 327.406 1.620 50 5 EDBAMN O=C(NCCc1nc[nH]n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000096449789 218832017 /nfs/dbraw/zinc/83/20/17/218832017.db2.gz JKWGRGSTUYKUTL-UHFFFAOYSA-N 0 1 329.238 1.704 50 5 EDBAMN Cc1nc2n(n1)C(CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(=O)N2 ZINC000013726018 441166526 /nfs/dbraw/zinc/16/65/26/441166526.db2.gz ZUJNZSPZGDOEHL-NSHDSACASA-N 0 1 330.304 1.325 50 5 EDBAMN O=c1[nH]c(=O)n(Cc2noc(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] ZINC000072292149 441224100 /nfs/dbraw/zinc/22/41/00/441224100.db2.gz LGYNJYCONRMKHO-UHFFFAOYSA-N 0 1 349.690 1.197 50 5 EDBAMN Cc1nc(CN2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000089497129 441557097 /nfs/dbraw/zinc/55/70/97/441557097.db2.gz RMEOAYMUPZEGMO-UHFFFAOYSA-N 0 1 334.355 1.478 50 5 EDBAMN COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000003877917 277380740 /nfs/dbraw/zinc/38/07/40/277380740.db2.gz MRIHNUXPGVKEED-GHMZBOCLSA-N 0 1 336.392 1.492 50 5 EDBAMN C[C@@H]1c2cc(F)ccc2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075745288 441554054 /nfs/dbraw/zinc/55/40/54/441554054.db2.gz OZDZGEKIDAEYTI-ABAIWWIYSA-N 0 1 334.351 1.911 50 5 EDBAMN CN(C[C@H](O)CN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000069619225 441991822 /nfs/dbraw/zinc/99/18/22/441991822.db2.gz MFJSYGLXALXBPL-ZDUSSCGKSA-N 0 1 342.827 1.293 50 5 EDBAMN O=[N+]([O-])c1ccc(=NNS(=O)(=O)c2ccc(Cl)cc2)[nH]c1 ZINC000020031435 212095199 /nfs/dbraw/zinc/09/51/99/212095199.db2.gz QSBKCRUSRBAORV-UHFFFAOYSA-N 0 1 328.737 1.949 50 5 EDBAMN O=C(OC1CCN(c2ccc(Cl)nn2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000078989014 217167439 /nfs/dbraw/zinc/16/74/39/217167439.db2.gz FZFOBSIUAKEKFY-UWVGGRQHSA-N 0 1 326.740 1.307 50 5 EDBAMN Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000000089626 440797179 /nfs/dbraw/zinc/79/71/79/440797179.db2.gz SFDHNYQKWCRAOK-UHFFFAOYSA-N 0 1 349.324 1.841 50 5 EDBAMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC000272283018 443579053 /nfs/dbraw/zinc/57/90/53/443579053.db2.gz UBNGERPVZCUJOQ-TVQRCGJNSA-N 0 1 340.286 1.838 50 5 EDBAMN Cc1ccc2nc(SCC(=O)Nc3nonc3[N+](=O)[O-])[nH]c2c1 ZINC000012462619 211389209 /nfs/dbraw/zinc/38/92/09/211389209.db2.gz GXINOSRXJXXYIO-UHFFFAOYSA-N 0 1 334.317 1.893 50 5 EDBAMN CNC(=O)[C@H]1CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000071920499 441197054 /nfs/dbraw/zinc/19/70/54/441197054.db2.gz SKNACVCYCRAWDN-ZDUSSCGKSA-N 0 1 344.375 1.269 50 5 EDBAMN Cc1cc(S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000072286231 441221451 /nfs/dbraw/zinc/22/14/51/441221451.db2.gz ROKCTUCHZRRAPB-CYBMUJFWSA-N 0 1 339.417 1.666 50 5 EDBAMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(n2cncn2)CC1 ZINC000120275716 442040969 /nfs/dbraw/zinc/04/09/69/442040969.db2.gz MBYCDCNBTSOSOV-UHFFFAOYSA-N 0 1 341.331 1.540 50 5 EDBAMN Cc1ccc(NCCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)nn1 ZINC000069815662 442049359 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COC(=O)c1cc2[nH]nc(I)c2c([N+](=O)[O-])c1 ZINC000014983768 441193362 /nfs/dbraw/zinc/19/33/62/441193362.db2.gz DAKPNFHJCNLVAP-UHFFFAOYSA-N 0 1 347.068 1.862 50 5 EDBAMN COc1cc(C(=O)N2CCC(c3nn[nH]n3)CC2)cc([N+](=O)[O-])c1C ZINC000864234214 596796614 /nfs/dbraw/zinc/79/66/14/596796614.db2.gz QWFKHUYYHMMXCE-UHFFFAOYSA-N 0 1 346.347 1.445 50 5 EDBAMN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000035961606 213052539 /nfs/dbraw/zinc/05/25/39/213052539.db2.gz UHYSDUWVTLGVSS-NSHDSACASA-N 0 1 337.288 1.110 50 5 EDBAMN O=[N+]([O-])c1cccnc1NC[C@H](O)CN1CCc2ccccc2C1 ZINC000046479064 441111041 /nfs/dbraw/zinc/11/10/41/441111041.db2.gz OOUONKATQKXMQK-HNNXBMFYSA-N 0 1 328.372 1.821 50 5 EDBAMN C[C@@H](CN1CCCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000195574148 443034520 /nfs/dbraw/zinc/03/45/20/443034520.db2.gz PYXHYKVYZQCVGS-ZDUSSCGKSA-N 0 1 341.433 1.889 50 5 EDBAMN CS[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270593645 443476706 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