smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000047406636 564026253 /nfs/dbraw/zinc/02/62/53/564026253.db2.gz IFIICLFNJKGRAU-DZGCQCFKSA-N 1 1 342.399 3.657 50 5 EHBAMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252452650 564118588 /nfs/dbraw/zinc/11/85/88/564118588.db2.gz UGWVAISODHQJIW-LRDDRELGSA-N 1 1 345.424 3.820 50 5 EHBAMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252452650 564118589 /nfs/dbraw/zinc/11/85/89/564118589.db2.gz UGWVAISODHQJIW-LRDDRELGSA-N 1 1 345.424 3.820 50 5 EHBAMO Cc1nc(C[NH+]2CCC(CNc3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000071894597 258064049 /nfs/dbraw/zinc/06/40/49/258064049.db2.gz NJTSUYUSZKMCCU-UHFFFAOYSA-N 1 1 344.415 3.524 50 5 EHBAMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc4ccccc43)C2)nc1 ZINC000084598420 564068995 /nfs/dbraw/zinc/06/89/95/564068995.db2.gz TWTSFKKPYBVAGC-QGZVFWFLSA-N 1 1 348.406 3.829 50 5 EHBAMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000084535957 201369370 /nfs/dbraw/zinc/36/93/70/201369370.db2.gz NALOIRGPVQOPSQ-OAHLLOKOSA-N 1 1 329.375 3.810 50 5 EHBAMO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071826819 203121267 /nfs/dbraw/zinc/12/12/67/203121267.db2.gz OUICVTZXGWBTEA-MRVPVSSYSA-N 1 1 349.740 3.916 50 5 EHBAMO CC1(C)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCS1 ZINC000075107728 203301583 /nfs/dbraw/zinc/30/15/83/203301583.db2.gz SBLXGYCFWHZCPP-UHFFFAOYSA-N 1 1 347.440 3.620 50 5 EHBAMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000016419933 564085966 /nfs/dbraw/zinc/08/59/66/564085966.db2.gz XZAJIRTXLBBQFS-ZDUSSCGKSA-N 1 1 328.368 3.574 50 5 EHBAMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000016475026 564087573 /nfs/dbraw/zinc/08/75/73/564087573.db2.gz JGRWPLHDOMCWBB-UTUOFQBUSA-N 1 1 339.823 3.553 50 5 EHBAMO CC[N@H+](Cc1cccc(F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012992700 564135786 /nfs/dbraw/zinc/13/57/86/564135786.db2.gz DOUWCXXDBGGYMQ-UHFFFAOYSA-N 1 1 346.358 3.623 50 5 EHBAMO CC[N@@H+](Cc1cccc(F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012992700 564135787 /nfs/dbraw/zinc/13/57/87/564135787.db2.gz DOUWCXXDBGGYMQ-UHFFFAOYSA-N 1 1 346.358 3.623 50 5 EHBAMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000032906830 202240767 /nfs/dbraw/zinc/24/07/67/202240767.db2.gz VCUJXKBHPJPBAQ-YVEFUNNKSA-N 1 1 334.803 3.975 50 5 EHBAMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc2c1OCCO2 ZINC000058155921 564157823 /nfs/dbraw/zinc/15/78/23/564157823.db2.gz MILYXHJVZILUHV-CYBMUJFWSA-N 1 1 328.368 3.559 50 5 EHBAMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000058155921 564157824 /nfs/dbraw/zinc/15/78/24/564157824.db2.gz MILYXHJVZILUHV-CYBMUJFWSA-N 1 1 328.368 3.559 50 5 EHBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)c1cccs1 ZINC000058441797 564159125 /nfs/dbraw/zinc/15/91/25/564159125.db2.gz FOGVIBIFPMXADY-ZDUSSCGKSA-N 1 1 347.440 3.986 50 5 EHBAMO CC[NH+]1CCN(Cc2c(C)[nH]c3c4ccccc4ccc3c2=O)CC1 ZINC000019791670 202021238 /nfs/dbraw/zinc/02/12/38/202021238.db2.gz ACWGVQMZJJZSNW-UHFFFAOYSA-N 1 1 335.451 3.540 50 5 EHBAMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000229571685 242181192 /nfs/dbraw/zinc/18/11/92/242181192.db2.gz JGRWPLHDOMCWBB-IJLUTSLNSA-N 1 1 339.823 3.553 50 5 EHBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000055142034 132194336 /nfs/dbraw/zinc/19/43/36/132194336.db2.gz IWCYGVSZRWELMV-UHFFFAOYSA-N 1 1 331.803 3.570 50 5 EHBAMO O=[N+]([O-])c1ccccc1CN1CC[N@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000584904386 563967782 /nfs/dbraw/zinc/96/77/82/563967782.db2.gz WMHFDTREBMQOCE-VQTJNVASSA-N 1 1 343.471 3.824 50 5 EHBAMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803215 564061455 /nfs/dbraw/zinc/06/14/55/564061455.db2.gz UGWVAISODHQJIW-MLGOLLRUSA-N 1 1 345.424 3.820 50 5 EHBAMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803215 564061456 /nfs/dbraw/zinc/06/14/56/564061456.db2.gz UGWVAISODHQJIW-MLGOLLRUSA-N 1 1 345.424 3.820 50 5 EHBAMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1 ZINC000057470696 564154391 /nfs/dbraw/zinc/15/43/91/564154391.db2.gz XOCSDRJXSUFCIT-LLVKDONJSA-N 1 1 348.786 3.966 50 5 EHBAMO CN(C(=O)C[N@H+]1CCC[C@@H]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000083869428 564064093 /nfs/dbraw/zinc/06/40/93/564064093.db2.gz KJHNSPZYLYPMAB-GOSISDBHSA-N 1 1 345.443 3.602 50 5 EHBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000055543384 132195819 /nfs/dbraw/zinc/19/58/19/132195819.db2.gz JFXMJJVSQBAVLO-UHFFFAOYSA-N 1 1 331.803 3.570 50 5 EHBAMO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000055543739 132196072 /nfs/dbraw/zinc/19/60/72/132196072.db2.gz RSZVNTYERRGQNC-UHFFFAOYSA-N 1 1 331.803 3.570 50 5 EHBAMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000047406637 564026229 /nfs/dbraw/zinc/02/62/29/564026229.db2.gz IFIICLFNJKGRAU-UKRRQHHQSA-N 1 1 342.399 3.657 50 5 EHBAMO O=C(CC[N@H+]1C[C@@H]2CCCCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000084405426 564068048 /nfs/dbraw/zinc/06/80/48/564068048.db2.gz CYTJZALDUBAMOV-YOEHRIQHSA-N 1 1 331.416 3.578 50 5 EHBAMO C[C@@H]1C[C@H](C)C[N@H+](CCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000032935521 202243933 /nfs/dbraw/zinc/24/39/33/202243933.db2.gz ISINTOQWTLUUNS-OKILXGFUSA-N 1 1 328.416 3.533 50 5 EHBAMO C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000005525674 564004949 /nfs/dbraw/zinc/00/49/49/564004949.db2.gz ADSQMWMNCUJMRN-DLBZAZTESA-N 1 1 344.798 3.776 50 5 EHBAMO CCc1cc([N+](=O)[O-])c(N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000253415519 564130723 /nfs/dbraw/zinc/13/07/23/564130723.db2.gz PIXHPKKOXUNLQO-UHFFFAOYSA-N 1 1 334.807 3.918 50 5 EHBAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000012981159 564135779 /nfs/dbraw/zinc/13/57/79/564135779.db2.gz UWHLUMUMRNYUQC-SFHVURJKSA-N 1 1 342.395 3.949 50 5 EHBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000014077191 563983132 /nfs/dbraw/zinc/98/31/32/563983132.db2.gz LFFUBCGIFUNSED-SFHVURJKSA-N 1 1 339.395 3.679 50 5 EHBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000014077191 563983133 /nfs/dbraw/zinc/98/31/33/563983133.db2.gz LFFUBCGIFUNSED-SFHVURJKSA-N 1 1 339.395 3.679 50 5 EHBAMO CNc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000071792488 203113300 /nfs/dbraw/zinc/11/33/00/203113300.db2.gz QYMAREAOCWTCIY-HXUWFJFHSA-N 1 1 348.406 3.911 50 5 EHBAMO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000053212789 564073378 /nfs/dbraw/zinc/07/33/78/564073378.db2.gz HSDWYRWDMBLVTL-GFCCVEGCSA-N 1 1 333.413 3.596 50 5 EHBAMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000053212789 564073379 /nfs/dbraw/zinc/07/33/79/564073379.db2.gz HSDWYRWDMBLVTL-GFCCVEGCSA-N 1 1 333.413 3.596 50 5 EHBAMO C[N@H+]1C[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000005698942 564019299 /nfs/dbraw/zinc/01/92/99/564019299.db2.gz ADSQMWMNCUJMRN-SJORKVTESA-N 1 1 344.798 3.776 50 5 EHBAMO Cc1ccc2nc([C@H]3CCCN(c4ncc([N+](=O)[O-])s4)C3)[nH]c2c1 ZINC000170606608 564109663 /nfs/dbraw/zinc/10/96/63/564109663.db2.gz JJZNGLWAVJYXNF-NSHDSACASA-N 1 1 343.412 3.620 50 5 EHBAMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000046054568 564029387 /nfs/dbraw/zinc/02/93/87/564029387.db2.gz FZTDBERQTGWLCP-BBRMVZONSA-N 1 1 342.399 3.799 50 5 EHBAMO Cc1ccc(C)c(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000055292398 132194972 /nfs/dbraw/zinc/19/49/72/132194972.db2.gz ZYFHEMIYWLQASE-UHFFFAOYSA-N 1 1 325.412 3.534 50 5 EHBAMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc4ccccc43)C2)nc1 ZINC000084598418 564068978 /nfs/dbraw/zinc/06/89/78/564068978.db2.gz TWTSFKKPYBVAGC-KRWDZBQOSA-N 1 1 348.406 3.829 50 5 EHBAMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(Cl)c1 ZINC000057475493 564154430 /nfs/dbraw/zinc/15/44/30/564154430.db2.gz RSQOMOFYMDXLAN-LLVKDONJSA-N 1 1 348.786 3.966 50 5 EHBAMO CNc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000071792487 203113325 /nfs/dbraw/zinc/11/33/25/203113325.db2.gz QYMAREAOCWTCIY-FQEVSTJZSA-N 1 1 348.406 3.911 50 5 EHBAMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccncc21 ZINC000046228912 204334707 /nfs/dbraw/zinc/33/47/07/204334707.db2.gz ORPKYVATNVQLQA-INIZCTEOSA-N 1 1 348.406 3.829 50 5 EHBAMO Cc1cccc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1C ZINC000055543339 132195508 /nfs/dbraw/zinc/19/55/08/132195508.db2.gz QEYNPUMGHYJZKU-UHFFFAOYSA-N 1 1 325.412 3.534 50 5 EHBAMO CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000055292391 564135010 /nfs/dbraw/zinc/13/50/10/564135010.db2.gz OAQJIHPSQGXQRN-UHFFFAOYSA-N 1 1 330.384 3.634 50 5 EHBAMO CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000055292391 564135011 /nfs/dbraw/zinc/13/50/11/564135011.db2.gz OAQJIHPSQGXQRN-UHFFFAOYSA-N 1 1 330.384 3.634 50 5 EHBAMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc2c1OCCO2 ZINC000058155919 564157805 /nfs/dbraw/zinc/15/78/05/564157805.db2.gz MILYXHJVZILUHV-ZDUSSCGKSA-N 1 1 328.368 3.559 50 5 EHBAMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000058155919 564157806 /nfs/dbraw/zinc/15/78/06/564157806.db2.gz MILYXHJVZILUHV-ZDUSSCGKSA-N 1 1 328.368 3.559 50 5 EHBAMO CC(C)[C@H](C)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000052637160 214138312 /nfs/dbraw/zinc/13/83/12/214138312.db2.gz RYLMFTBFEUJZKQ-LBPRGKRZSA-N 1 1 330.388 3.654 50 5 EHBAMO COc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000004989053 210350542 /nfs/dbraw/zinc/35/05/42/210350542.db2.gz TVLFCBDSKNDCPN-ZFWWWQNUSA-N 1 1 334.416 3.767 50 5 EHBAMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](C3CC3)C3CCCCC3)n2)c1 ZINC000047904057 564029823 /nfs/dbraw/zinc/02/98/23/564029823.db2.gz LELBKGSKSFFLRO-UHFFFAOYSA-N 1 1 342.399 3.942 50 5 EHBAMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000084535955 564068659 /nfs/dbraw/zinc/06/86/59/564068659.db2.gz NALOIRGPVQOPSQ-HNNXBMFYSA-N 1 1 329.375 3.810 50 5 EHBAMO O=[N+]([O-])c1cccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000239425943 564106905 /nfs/dbraw/zinc/10/69/05/564106905.db2.gz VMVFYBOTXPMUBU-VQTJNVASSA-N 1 1 343.471 3.824 50 5 EHBAMO C[N@@H+](Cc1ccccc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054992153 214263965 /nfs/dbraw/zinc/26/39/65/214263965.db2.gz DECJMTOOXJAAQQ-UHFFFAOYSA-N 1 1 339.439 3.691 50 5 EHBAMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000024864674 563876999 /nfs/dbraw/zinc/87/69/99/563876999.db2.gz SIBIGAJWQDVGGE-CQSZACIVSA-N 1 1 327.384 3.616 50 5 EHBAMO O=[N+]([O-])c1ccccc1CN1CC[N@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000584904385 563967523 /nfs/dbraw/zinc/96/75/23/563967523.db2.gz WMHFDTREBMQOCE-PMACEKPBSA-N 1 1 343.471 3.824 50 5 EHBAMO Cc1ccc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000000277378 563990094 /nfs/dbraw/zinc/99/00/94/563990094.db2.gz QCJVTSXOSRZKLA-GQCTYLIASA-N 1 1 337.423 3.739 50 5 EHBAMO CC(C)CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000048364336 564031562 /nfs/dbraw/zinc/03/15/62/564031562.db2.gz AQGPTCWCRCWJKO-UHFFFAOYSA-N 1 1 330.388 3.655 50 5 EHBAMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000016420365 564085988 /nfs/dbraw/zinc/08/59/88/564085988.db2.gz UVVXEFBEEPRWSE-HNNXBMFYSA-N 1 1 336.395 3.974 50 5 EHBAMO Cc1ccc2nc([C@@H]3CCCN(c4ncc([N+](=O)[O-])s4)C3)[nH]c2c1 ZINC000170606607 564109656 /nfs/dbraw/zinc/10/96/56/564109656.db2.gz JJZNGLWAVJYXNF-LLVKDONJSA-N 1 1 343.412 3.620 50 5 EHBAMO C[C@H](CCc1ccccc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000004729758 210262457 /nfs/dbraw/zinc/26/24/57/210262457.db2.gz ZWGSZJOTHVROSV-BEFAXECRSA-N 1 1 328.412 3.581 50 5 EHBAMO Cc1ccc(C)c(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000055292258 132194735 /nfs/dbraw/zinc/19/47/35/132194735.db2.gz WHOYLWWSKBKBJP-UHFFFAOYSA-N 1 1 325.412 3.534 50 5 EHBAMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000024864680 564034173 /nfs/dbraw/zinc/03/41/73/564034173.db2.gz SIBIGAJWQDVGGE-AWEZNQCLSA-N 1 1 327.384 3.616 50 5 EHBAMO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)cc1 ZINC000095462502 564140830 /nfs/dbraw/zinc/14/08/30/564140830.db2.gz XFISPBHUWCIJFL-UHFFFAOYSA-N 1 1 334.379 3.760 50 5 EHBAMO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000059424655 564161228 /nfs/dbraw/zinc/16/12/28/564161228.db2.gz UUFOZEFSVJAWEY-UHFFFAOYSA-N 1 1 331.460 3.683 50 5 EHBAMO C[N@@H+](Cc1ccccc1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000054992040 214263660 /nfs/dbraw/zinc/26/36/60/214263660.db2.gz CIWDMWYXQSCNGH-UHFFFAOYSA-N 1 1 339.439 3.691 50 5 EHBAMO O=C(CC[N@H+]1C[C@@H]2CCCCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000230126667 242235588 /nfs/dbraw/zinc/23/55/88/242235588.db2.gz CYTJZALDUBAMOV-WMLDXEAASA-N 1 1 331.416 3.578 50 5 EHBAMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCC[C@H]12 ZINC000051765946 214103163 /nfs/dbraw/zinc/10/31/63/214103163.db2.gz NWUJOMYKIVREAM-XWIAVFTESA-N 1 1 346.427 3.862 50 5 EHBAMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)n2)c1 ZINC000230119199 242232495 /nfs/dbraw/zinc/23/24/95/242232495.db2.gz FZTDBERQTGWLCP-XJKSGUPXSA-N 1 1 342.399 3.799 50 5 EHBAMO C[N@@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC000008126833 564162892 /nfs/dbraw/zinc/16/28/92/564162892.db2.gz DUPPJMYJNFPBBF-SFHVURJKSA-N 1 1 339.395 3.543 50 5 EHBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000055543287 132195765 /nfs/dbraw/zinc/19/57/65/132195765.db2.gz ADICUDOVEDGWDO-UHFFFAOYSA-N 1 1 331.803 3.570 50 5 EHBAMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCN(C4CC4)CC3)o2)cc1 ZINC000071924522 563665639 /nfs/dbraw/zinc/66/56/39/563665639.db2.gz VVHNFFJIZFVNTL-UHFFFAOYSA-N 1 1 341.411 3.571 50 5 EHBAMO COc1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000005577878 564005724 /nfs/dbraw/zinc/00/57/24/564005724.db2.gz TVLFCBDSKNDCPN-UKRRQHHQSA-N 1 1 334.416 3.767 50 5 EHBAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000040067045 213256310 /nfs/dbraw/zinc/25/63/10/213256310.db2.gz QHHFZWKEDLFGJP-KRWDZBQOSA-N 1 1 342.395 3.949 50 5 EHBAMO O=[N+]([O-])c1cc(F)c(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000097229457 563970644 /nfs/dbraw/zinc/97/06/44/563970644.db2.gz TVMKMYSPEOWHEH-AWEZNQCLSA-N 1 1 337.326 3.715 50 5 EHBAMO COc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000005729755 564024027 /nfs/dbraw/zinc/02/40/27/564024027.db2.gz TVLFCBDSKNDCPN-DZGCQCFKSA-N 1 1 334.416 3.767 50 5 EHBAMO C[N@H+]1C[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000005525654 564004956 /nfs/dbraw/zinc/00/49/56/564004956.db2.gz ADSQMWMNCUJMRN-IAGOWNOFSA-N 1 1 344.798 3.776 50 5 EHBAMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104811710 564024175 /nfs/dbraw/zinc/02/41/75/564024175.db2.gz JGRWPLHDOMCWBB-GRYCIOLGSA-N 1 1 339.823 3.553 50 5 EHBAMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104811710 564024176 /nfs/dbraw/zinc/02/41/76/564024176.db2.gz JGRWPLHDOMCWBB-GRYCIOLGSA-N 1 1 339.823 3.553 50 5 EHBAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000007719481 564122216 /nfs/dbraw/zinc/12/22/16/564122216.db2.gz XPIFXAFLTFFHOJ-SFHVURJKSA-N 1 1 342.395 3.949 50 5 EHBAMO O=C(CC[N@H+]1C[C@H]2CCCCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000230126672 242235457 /nfs/dbraw/zinc/23/54/57/242235457.db2.gz CYTJZALDUBAMOV-RHSMWYFYSA-N 1 1 331.416 3.578 50 5 EHBAMO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055544024 132196088 /nfs/dbraw/zinc/19/60/88/132196088.db2.gz BSVLWHSKKJBNFL-UHFFFAOYSA-N 1 1 331.803 3.570 50 5 EHBAMO C[C@H]1CCC[N@@H+](Cc2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)C1 ZINC000032932637 563843040 /nfs/dbraw/zinc/84/30/40/563843040.db2.gz DPUXXQNFRPKODM-AWEZNQCLSA-N 1 1 326.400 3.965 50 5 EHBAMO CN(C(=O)C[N@H+]1CCC[C@H]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000083869431 564064086 /nfs/dbraw/zinc/06/40/86/564064086.db2.gz KJHNSPZYLYPMAB-SFHVURJKSA-N 1 1 345.443 3.602 50 5 EHBAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000040067047 213256982 /nfs/dbraw/zinc/25/69/82/213256982.db2.gz QHHFZWKEDLFGJP-QGZVFWFLSA-N 1 1 342.395 3.949 50 5 EHBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000055543937 132196172 /nfs/dbraw/zinc/19/61/72/132196172.db2.gz UHHCLTUUWUBPAG-UHFFFAOYSA-N 1 1 331.803 3.570 50 5 EHBAMO O=C(CC[N@H+]1CCC[C@H]1c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000032903069 563789859 /nfs/dbraw/zinc/78/98/59/563789859.db2.gz HCNHTRWJEFFAJO-HNNXBMFYSA-N 1 1 345.424 3.822 50 5 EHBAMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005674915 564018041 /nfs/dbraw/zinc/01/80/41/564018041.db2.gz AXALBGBASWZXSN-DKENDCILSA-N 1 1 330.428 3.529 50 5 EHBAMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000016420364 564085991 /nfs/dbraw/zinc/08/59/91/564085991.db2.gz UVVXEFBEEPRWSE-OAHLLOKOSA-N 1 1 336.395 3.974 50 5 EHBAMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)c1cccs1 ZINC000058140485 564157716 /nfs/dbraw/zinc/15/77/16/564157716.db2.gz ILKGJAXQFGKUMI-ZDUSSCGKSA-N 1 1 347.440 3.986 50 5 EHBAMO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000055544056 132196208 /nfs/dbraw/zinc/19/62/08/132196208.db2.gz FJQTUYNXSGGQIO-UHFFFAOYSA-N 1 1 331.803 3.570 50 5 EHBAMO O=C(CC[N@H+]1C[C@H]2CCCCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000084405421 564068051 /nfs/dbraw/zinc/06/80/51/564068051.db2.gz CYTJZALDUBAMOV-PBHICJAKSA-N 1 1 331.416 3.578 50 5 EHBAMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCC[C@@H]12 ZINC000241470638 564122820 /nfs/dbraw/zinc/12/28/20/564122820.db2.gz NWUJOMYKIVREAM-BVGQSLNGSA-N 1 1 346.427 3.862 50 5 EHBAMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000058150512 564157788 /nfs/dbraw/zinc/15/77/88/564157788.db2.gz DZQQHCBIKCGTSJ-UHFFFAOYSA-N 1 1 339.395 3.506 50 5 EHBAMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000058150512 564157789 /nfs/dbraw/zinc/15/77/89/564157789.db2.gz DZQQHCBIKCGTSJ-UHFFFAOYSA-N 1 1 339.395 3.506 50 5 EHBAMO COc1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000004989052 210351062 /nfs/dbraw/zinc/35/10/62/210351062.db2.gz TVLFCBDSKNDCPN-HIFRSBDPSA-N 1 1 334.416 3.767 50 5 EHBAMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCN(C3CC3)CC2)o1 ZINC000071924523 563665799 /nfs/dbraw/zinc/66/57/99/563665799.db2.gz FQENLUDVQPJASK-UHFFFAOYSA-N 1 1 341.411 3.571 50 5 EHBAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000012981161 564135759 /nfs/dbraw/zinc/13/57/59/564135759.db2.gz UWHLUMUMRNYUQC-GOSISDBHSA-N 1 1 342.395 3.949 50 5 EHBAMO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000055544070 132195945 /nfs/dbraw/zinc/19/59/45/132195945.db2.gz HRHFIRSQHAHJAF-UHFFFAOYSA-N 1 1 331.803 3.570 50 5 EHBAMO C[C@H](c1cccs1)[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054447491 214238641 /nfs/dbraw/zinc/23/86/41/214238641.db2.gz QLKUGLFIWGULMO-GFCCVEGCSA-N 1 1 343.412 3.565 50 5 EHBAMO C[C@H](c1cccs1)[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054447491 214238643 /nfs/dbraw/zinc/23/86/43/214238643.db2.gz QLKUGLFIWGULMO-GFCCVEGCSA-N 1 1 343.412 3.565 50 5 EHBAMO O=[N+]([O-])c1cc(C[N@@H+](C2CC2)C2CCCCC2)c2c(c1)COCO2 ZINC000048008860 564029942 /nfs/dbraw/zinc/02/99/42/564029942.db2.gz CEWQMUDTEHPXTN-UHFFFAOYSA-N 1 1 332.400 3.758 50 5 EHBAMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000016475032 564087538 /nfs/dbraw/zinc/08/75/38/564087538.db2.gz JGRWPLHDOMCWBB-TUAOUCFPSA-N 1 1 339.823 3.553 50 5 EHBAMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000016475032 564087539 /nfs/dbraw/zinc/08/75/39/564087539.db2.gz JGRWPLHDOMCWBB-TUAOUCFPSA-N 1 1 339.823 3.553 50 5 EHBAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000007719482 564122233 /nfs/dbraw/zinc/12/22/33/564122233.db2.gz XPIFXAFLTFFHOJ-GOSISDBHSA-N 1 1 342.395 3.949 50 5 EHBAMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21 ZINC000029484324 564153535 /nfs/dbraw/zinc/15/35/35/564153535.db2.gz YREOGOHGCDNAAS-GOSISDBHSA-N 1 1 340.379 3.581 50 5 EHBAMO CC1CCC([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000051802042 214104335 /nfs/dbraw/zinc/10/43/35/214104335.db2.gz TTZYBAAOSNIGOJ-UHFFFAOYSA-N 1 1 330.388 3.655 50 5 EHBAMO CCCC[N@H+]1CCC[C@H]1C(=O)Nc1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000004698378 210252118 /nfs/dbraw/zinc/25/21/18/210252118.db2.gz KFRNQIBSBJPMSR-HNNXBMFYSA-N 1 1 333.432 3.723 50 5 EHBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000014077190 563983122 /nfs/dbraw/zinc/98/31/22/563983122.db2.gz LFFUBCGIFUNSED-GOSISDBHSA-N 1 1 339.395 3.679 50 5 EHBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000014077190 563983123 /nfs/dbraw/zinc/98/31/23/563983123.db2.gz LFFUBCGIFUNSED-GOSISDBHSA-N 1 1 339.395 3.679 50 5 EHBAMO C[C@@H](c1ccccc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012856366 564075531 /nfs/dbraw/zinc/07/55/31/564075531.db2.gz TXWYJCWNVAMWJW-ZDUSSCGKSA-N 1 1 328.368 3.654 50 5 EHBAMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012856366 564075532 /nfs/dbraw/zinc/07/55/32/564075532.db2.gz TXWYJCWNVAMWJW-ZDUSSCGKSA-N 1 1 328.368 3.654 50 5 EHBAMO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012934701 564079122 /nfs/dbraw/zinc/07/91/22/564079122.db2.gz MVQSKUXAHSRQLH-GFCCVEGCSA-N 1 1 346.358 3.793 50 5 EHBAMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012934701 564079123 /nfs/dbraw/zinc/07/91/23/564079123.db2.gz MVQSKUXAHSRQLH-GFCCVEGCSA-N 1 1 346.358 3.793 50 5 EHBAMO C[NH+](C)Cc1c(OC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000055027880 214265794 /nfs/dbraw/zinc/26/57/94/214265794.db2.gz XHDSFNHABPBCLB-UHFFFAOYSA-N 1 1 334.759 3.529 50 5 EHBAMO COc1ccc(OC)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000036753974 213117460 /nfs/dbraw/zinc/11/74/60/213117460.db2.gz ZQZPOVURUCECHP-UHFFFAOYSA-N 1 1 342.395 3.777 50 5 EHBAMO COc1ccc(OC)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000036753974 213117463 /nfs/dbraw/zinc/11/74/63/213117463.db2.gz ZQZPOVURUCECHP-UHFFFAOYSA-N 1 1 342.395 3.777 50 5 EHBAMO Cc1[nH]c2c3ccccc3ccc2c(=O)c1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000019791664 212067638 /nfs/dbraw/zinc/06/76/38/212067638.db2.gz GIOVYRFIFRUGOD-KBPBESRZSA-N 1 1 336.435 3.599 50 5 EHBAMO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055542926 132195339 /nfs/dbraw/zinc/19/53/39/132195339.db2.gz IOAJBCSSLRLQDR-UHFFFAOYSA-N 1 1 331.803 3.570 50 5 EHBAMO C[C@@H](CCc1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000005610572 564006388 /nfs/dbraw/zinc/00/63/88/564006388.db2.gz ZWGSZJOTHVROSV-HNAYVOBHSA-N 1 1 328.412 3.581 50 5 EHBAMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21 ZINC000029484326 564153527 /nfs/dbraw/zinc/15/35/27/564153527.db2.gz YREOGOHGCDNAAS-SFHVURJKSA-N 1 1 340.379 3.581 50 5 EHBAMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(Cl)c1 ZINC000057475492 564154434 /nfs/dbraw/zinc/15/44/34/564154434.db2.gz RSQOMOFYMDXLAN-NSHDSACASA-N 1 1 348.786 3.966 50 5 EHBAMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000070857103 564174460 /nfs/dbraw/zinc/17/44/60/564174460.db2.gz JHAUJNMELXEICN-INIZCTEOSA-N 1 1 333.435 3.601 50 5 EHBAMO CC(C)[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000010929467 211196157 /nfs/dbraw/zinc/19/61/57/211196157.db2.gz TWGFMJMDKGQTNK-UHFFFAOYSA-N 1 1 342.395 3.872 50 5 EHBAMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000034868149 563919906 /nfs/dbraw/zinc/91/99/06/563919906.db2.gz VCUJXKBHPJPBAQ-SJCJKPOMSA-N 1 1 334.803 3.975 50 5 EHBAMO [NH2+]=C1N(c2cccc([N+](=O)[O-])c2)Cc2ccccc2C12CCOCC2 ZINC000003878914 210084117 /nfs/dbraw/zinc/08/41/17/210084117.db2.gz JYHVPIFJQHJRSD-UHFFFAOYSA-N 1 1 337.379 3.640 50 5 EHBAMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005674907 564018032 /nfs/dbraw/zinc/01/80/32/564018032.db2.gz AXALBGBASWZXSN-ZSWVUIPGSA-N 1 1 330.428 3.529 50 5 EHBAMO O=[N+]([O-])c1ccc(OCCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000002844573 564152824 /nfs/dbraw/zinc/15/28/24/564152824.db2.gz XEDVBYLUISOGOO-UHFFFAOYSA-N 1 1 326.396 3.812 50 5 EHBAMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1Cl ZINC000010609858 211182166 /nfs/dbraw/zinc/18/21/66/211182166.db2.gz JHBNTQYOTIZKNR-LLVKDONJSA-N 1 1 348.786 3.966 50 5 EHBAMO Cc1ccccc1C[N@H+]1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000095369484 218301643 /nfs/dbraw/zinc/30/16/43/218301643.db2.gz KUACAWWNHBMNPO-UHFFFAOYSA-N 1 1 343.402 3.755 50 5 EHBAMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000004980717 563993617 /nfs/dbraw/zinc/99/36/17/563993617.db2.gz DLKZNSGJFAFTEJ-HWKANZROSA-N 1 1 341.386 3.569 50 5 EHBAMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000016419934 564085973 /nfs/dbraw/zinc/08/59/73/564085973.db2.gz XZAJIRTXLBBQFS-CYBMUJFWSA-N 1 1 328.368 3.574 50 5 EHBAMO C[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(Cl)c1 ZINC000058139211 564157749 /nfs/dbraw/zinc/15/77/49/564157749.db2.gz JPNBIRAZGPQEMF-JTQLQIEISA-N 1 1 334.759 3.828 50 5 EHBAMO Cc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000071894593 258064120 /nfs/dbraw/zinc/06/41/20/258064120.db2.gz SSLHOCOKRSPVIG-UHFFFAOYSA-N 1 1 344.415 3.524 50 5 EHBAMO Cc1ccc(C)c(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000055292292 132194910 /nfs/dbraw/zinc/19/49/10/132194910.db2.gz YXVNDNAUNNSTOX-UHFFFAOYSA-N 1 1 325.412 3.534 50 5 EHBAMO C[N@@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC000008126831 564162863 /nfs/dbraw/zinc/16/28/63/564162863.db2.gz DUPPJMYJNFPBBF-GOSISDBHSA-N 1 1 339.395 3.543 50 5 EHBAMO C[C@@H](CCc1ccccc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000004729757 210262037 /nfs/dbraw/zinc/26/20/37/210262037.db2.gz ZWGSZJOTHVROSV-KXBFYZLASA-N 1 1 328.412 3.581 50 5 EHBAMO O=[N+]([O-])c1ccccc1CN1CC[N@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000584904387 563967530 /nfs/dbraw/zinc/96/75/30/563967530.db2.gz WMHFDTREBMQOCE-WOJBJXKFSA-N 1 1 343.471 3.824 50 5 EHBAMO O=[N+]([O-])c1ccc2c(c1)nc(C[NH+]1CCCC1)n2-c1ccc(F)cc1 ZINC000008706509 564166512 /nfs/dbraw/zinc/16/65/12/564166512.db2.gz OUIZIHBTFYWKQO-UHFFFAOYSA-N 1 1 340.358 3.669 50 5 EHBAMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803214 214147451 /nfs/dbraw/zinc/14/74/51/214147451.db2.gz UGWVAISODHQJIW-BLLLJJGKSA-N 1 1 345.424 3.820 50 5 EHBAMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803214 214147452 /nfs/dbraw/zinc/14/74/52/214147452.db2.gz UGWVAISODHQJIW-BLLLJJGKSA-N 1 1 345.424 3.820 50 5 EHBAMO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)C2CC2)c2c(c1)COCO2 ZINC000025122909 564053287 /nfs/dbraw/zinc/05/32/87/564053287.db2.gz UQTCESWISBMDIH-UHFFFAOYSA-N 1 1 340.379 3.626 50 5 EHBAMO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)C2CC2)c2c(c1)COCO2 ZINC000025122909 564053288 /nfs/dbraw/zinc/05/32/88/564053288.db2.gz UQTCESWISBMDIH-UHFFFAOYSA-N 1 1 340.379 3.626 50 5 EHBAMO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000057863872 564156281 /nfs/dbraw/zinc/15/62/81/564156281.db2.gz IMNSXRZHKIRGAT-HNNXBMFYSA-N 1 1 334.416 3.862 50 5 EHBAMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)n2)c1 ZINC000046054567 564029370 /nfs/dbraw/zinc/02/93/70/564029370.db2.gz FZTDBERQTGWLCP-CJNGLKHVSA-N 1 1 342.399 3.799 50 5 EHBAMO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000057863874 564156253 /nfs/dbraw/zinc/15/62/53/564156253.db2.gz IMNSXRZHKIRGAT-OAHLLOKOSA-N 1 1 334.416 3.862 50 5 EHBAMO CCc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000012934387 564079165 /nfs/dbraw/zinc/07/91/65/564079165.db2.gz YLNHCSTUYHNIEJ-UHFFFAOYSA-N 1 1 342.395 3.656 50 5 EHBAMO CCc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000012934387 564079166 /nfs/dbraw/zinc/07/91/66/564079166.db2.gz YLNHCSTUYHNIEJ-UHFFFAOYSA-N 1 1 342.395 3.656 50 5 EHBAMO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000004990268 210352137 /nfs/dbraw/zinc/35/21/37/210352137.db2.gz JHZFTJHTXXOVMY-UHFFFAOYSA-N 1 1 345.830 3.566 50 5 EHBAMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](C3CC3)C3CCCCC3)n2)cc1 ZINC000048342878 564031221 /nfs/dbraw/zinc/03/12/21/564031221.db2.gz YBSKMGVXKPXKPC-UHFFFAOYSA-N 1 1 342.399 3.942 50 5 EHBAMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)c2cccs2)cccc1[N+](=O)[O-] ZINC000058140858 564157760 /nfs/dbraw/zinc/15/77/60/564157760.db2.gz XEHVRPIEPLTMSL-ZDUSSCGKSA-N 1 1 347.440 3.986 50 5 EHBAMO c1ccc2c(c1)[nH]c1c2c(NCC[NH+]2CCOCC2)nc2ccccc12 ZINC000004658741 210239948 /nfs/dbraw/zinc/23/99/48/210239948.db2.gz SETATRHSLPECHQ-UHFFFAOYSA-N 1 1 346.434 3.613 50 5 EHBAMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2s1 ZINC000036394742 213097464 /nfs/dbraw/zinc/09/74/64/213097464.db2.gz IYGBPKMDMOZQOO-UHFFFAOYSA-N 1 1 343.408 3.715 50 5 EHBAMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2s1 ZINC000036394742 213097466 /nfs/dbraw/zinc/09/74/66/213097466.db2.gz IYGBPKMDMOZQOO-UHFFFAOYSA-N 1 1 343.408 3.715 50 5 EHBAMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1Cl ZINC000010609845 211182084 /nfs/dbraw/zinc/18/20/84/211182084.db2.gz JHBNTQYOTIZKNR-NSHDSACASA-N 1 1 348.786 3.966 50 5 EHBAMO C[C@H](c1ccccc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012856362 564075536 /nfs/dbraw/zinc/07/55/36/564075536.db2.gz TXWYJCWNVAMWJW-CYBMUJFWSA-N 1 1 328.368 3.654 50 5 EHBAMO C[C@H](c1ccccc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012856362 564075537 /nfs/dbraw/zinc/07/55/37/564075537.db2.gz TXWYJCWNVAMWJW-CYBMUJFWSA-N 1 1 328.368 3.654 50 5 EHBAMO O=C(C[N@H+](Cc1ccco1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000048367732 564031588 /nfs/dbraw/zinc/03/15/88/564031588.db2.gz GTSQDJRBCHSZHZ-UHFFFAOYSA-N 1 1 343.383 3.571 50 5 EHBAMO O=C(C[N@@H+](Cc1ccco1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000048367732 564031589 /nfs/dbraw/zinc/03/15/89/564031589.db2.gz GTSQDJRBCHSZHZ-UHFFFAOYSA-N 1 1 343.383 3.571 50 5 EHBAMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000071820729 564111277 /nfs/dbraw/zinc/11/12/77/564111277.db2.gz DRLRFDULUJBDFM-MRXNPFEDSA-N 1 1 333.435 3.602 50 5 EHBAMO C[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(Cl)c1 ZINC000058139220 564157722 /nfs/dbraw/zinc/15/77/22/564157722.db2.gz JPNBIRAZGPQEMF-SNVBAGLBSA-N 1 1 334.759 3.828 50 5 EHBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)c1cccs1 ZINC000058441799 564159144 /nfs/dbraw/zinc/15/91/44/564159144.db2.gz FOGVIBIFPMXADY-CYBMUJFWSA-N 1 1 347.440 3.986 50 5 EHBAMO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012790493 564135559 /nfs/dbraw/zinc/13/55/59/564135559.db2.gz QLWAGOABNBKZIV-UHFFFAOYSA-N 1 1 348.786 3.747 50 5 EHBAMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012790493 564135560 /nfs/dbraw/zinc/13/55/60/564135560.db2.gz QLWAGOABNBKZIV-UHFFFAOYSA-N 1 1 348.786 3.747 50 5 EHBAMO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000055543540 132195573 /nfs/dbraw/zinc/19/55/73/132195573.db2.gz FUYCFJFFWLKTAF-UHFFFAOYSA-N 1 1 331.803 3.570 50 5 EHBAMO C[N@H+]1C[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(Cl)cc2)C1 ZINC000106341653 564026379 /nfs/dbraw/zinc/02/63/79/564026379.db2.gz ADSQMWMNCUJMRN-IRXDYDNUSA-N 1 1 344.798 3.776 50 5 EHBAMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1 ZINC000057470695 564154371 /nfs/dbraw/zinc/15/43/71/564154371.db2.gz XOCSDRJXSUFCIT-NSHDSACASA-N 1 1 348.786 3.966 50 5 EHBAMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)n2)c1 ZINC000230119203 242232642 /nfs/dbraw/zinc/23/26/42/242232642.db2.gz FZTDBERQTGWLCP-CZUORRHYSA-N 1 1 342.399 3.799 50 5 EHBAMO Cc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000053212793 214170241 /nfs/dbraw/zinc/17/02/41/214170241.db2.gz HSDWYRWDMBLVTL-LBPRGKRZSA-N 1 1 333.413 3.596 50 5 EHBAMO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000053212793 214170244 /nfs/dbraw/zinc/17/02/44/214170244.db2.gz HSDWYRWDMBLVTL-LBPRGKRZSA-N 1 1 333.413 3.596 50 5 EHBAMO C[C@@H]1CCC[N@@H+](Cc2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)C1 ZINC000032932636 563843071 /nfs/dbraw/zinc/84/30/71/563843071.db2.gz DPUXXQNFRPKODM-CQSZACIVSA-N 1 1 326.400 3.965 50 5 EHBAMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccncc21 ZINC000046228915 563915992 /nfs/dbraw/zinc/91/59/92/563915992.db2.gz ORPKYVATNVQLQA-MRXNPFEDSA-N 1 1 348.406 3.829 50 5 EHBAMO Cc1c(C[NH2+]C(C)(C)c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000186579610 564078848 /nfs/dbraw/zinc/07/88/48/564078848.db2.gz IRFVAHOSNRWEAD-UHFFFAOYSA-N 1 1 338.411 3.815 50 5 EHBAMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCC[C@@H]12 ZINC000229750453 242196089 /nfs/dbraw/zinc/19/60/89/242196089.db2.gz NWUJOMYKIVREAM-JEBQAFNWSA-N 1 1 346.427 3.862 50 5 EHBAMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000032906829 563793071 /nfs/dbraw/zinc/79/30/71/563793071.db2.gz VCUJXKBHPJPBAQ-SJKOYZFVSA-N 1 1 334.803 3.975 50 5 EHBAMO O=[N+]([O-])c1cccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000005032615 210369095 /nfs/dbraw/zinc/36/90/95/210369095.db2.gz VMVFYBOTXPMUBU-UXHICEINSA-N 1 1 343.471 3.824 50 5 EHBAMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccco1 ZINC000069893976 564172670 /nfs/dbraw/zinc/17/26/70/564172670.db2.gz KSCWXRJRYVGFJU-UHFFFAOYSA-N 1 1 327.340 3.517 50 5 EHBAMO C[C@@H]1C[C@H](C)C[N@@H+](C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000004745705 210268936 /nfs/dbraw/zinc/26/89/36/210268936.db2.gz BIEOANCICWLMHB-IYBDPMFKSA-N 1 1 331.460 3.537 50 5 EHBAMO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000055184998 132194459 /nfs/dbraw/zinc/19/44/59/132194459.db2.gz LKKKMIXCWUVEJC-UHFFFAOYSA-N 1 1 331.803 3.570 50 5 EHBAMO Cc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000055543038 132195504 /nfs/dbraw/zinc/19/55/04/132195504.db2.gz KWAKSLXDMNURNS-UHFFFAOYSA-N 1 1 325.412 3.534 50 5 EHBAMO O=C(CC[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000032903068 563789898 /nfs/dbraw/zinc/78/98/98/563789898.db2.gz HCNHTRWJEFFAJO-OAHLLOKOSA-N 1 1 345.424 3.822 50 5 EHBAMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000034868150 563919918 /nfs/dbraw/zinc/91/99/18/563919918.db2.gz VCUJXKBHPJPBAQ-PXAZEXFGSA-N 1 1 334.803 3.975 50 5 EHBAMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)c2cccs2)cccc1[N+](=O)[O-] ZINC000058140868 564157780 /nfs/dbraw/zinc/15/77/80/564157780.db2.gz XEHVRPIEPLTMSL-CYBMUJFWSA-N 1 1 347.440 3.986 50 5 EHBAMO Cc1ccccc1N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000000278071 563990061 /nfs/dbraw/zinc/99/00/61/563990061.db2.gz IRHUKIJIEBPNJD-RMKNXTFCSA-N 1 1 337.423 3.739 50 5 EHBAMO Cc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 ZINC000012903650 564077801 /nfs/dbraw/zinc/07/78/01/564077801.db2.gz SMKJDMAHSPRMOP-UHFFFAOYSA-N 1 1 342.395 3.710 50 5 EHBAMO Cc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 ZINC000012903650 564077802 /nfs/dbraw/zinc/07/78/02/564077802.db2.gz SMKJDMAHSPRMOP-UHFFFAOYSA-N 1 1 342.395 3.710 50 5 EHBAMO O=[N+]([O-])c1cccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000239425942 564106908 /nfs/dbraw/zinc/10/69/08/564106908.db2.gz VMVFYBOTXPMUBU-PMACEKPBSA-N 1 1 343.471 3.824 50 5 EHBAMO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000055498025 564150113 /nfs/dbraw/zinc/15/01/13/564150113.db2.gz BFARNGFNSDQCDE-UHFFFAOYSA-N 1 1 331.803 3.570 50 5 EHBAMO CCCC[N@H+]1CCC[C@@H]1C(=O)Nc1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000004698377 210251590 /nfs/dbraw/zinc/25/15/90/210251590.db2.gz KFRNQIBSBJPMSR-OAHLLOKOSA-N 1 1 333.432 3.723 50 5 EHBAMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000072308226 563916086 /nfs/dbraw/zinc/91/60/86/563916086.db2.gz KOBLBFRSVCFQCV-CQSZACIVSA-N 1 1 330.384 3.762 50 5 EHBAMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCC[C@H]12 ZINC000241470639 564122856 /nfs/dbraw/zinc/12/28/56/564122856.db2.gz NWUJOMYKIVREAM-FSPWUOQZSA-N 1 1 346.427 3.862 50 5 EHBAMO O=[N+]([O-])c1cc(F)c(NC[C@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000097229455 563970621 /nfs/dbraw/zinc/97/06/21/563970621.db2.gz TVMKMYSPEOWHEH-CQSZACIVSA-N 1 1 337.326 3.715 50 5 EHBAMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000072308225 563983646 /nfs/dbraw/zinc/98/36/46/563983646.db2.gz KOBLBFRSVCFQCV-AWEZNQCLSA-N 1 1 330.384 3.762 50 5 EHBAMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCCC1 ZINC000025932720 564066909 /nfs/dbraw/zinc/06/69/09/564066909.db2.gz OBGBMRHNQWGIAI-UHFFFAOYSA-N 1 1 330.388 3.799 50 5 EHBAMO CC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000071820728 564111244 /nfs/dbraw/zinc/11/12/44/564111244.db2.gz DRLRFDULUJBDFM-INIZCTEOSA-N 1 1 333.435 3.602 50 5 EHBAMO O=[N+]([O-])c1ccccc1CN1CC[N@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000005032611 563919196 /nfs/dbraw/zinc/91/91/96/563919196.db2.gz WMHFDTREBMQOCE-UXHICEINSA-N 1 1 343.471 3.824 50 5 EHBAMO O=[N+]([O-])c1cccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000239425944 564106932 /nfs/dbraw/zinc/10/69/32/564106932.db2.gz VMVFYBOTXPMUBU-WOJBJXKFSA-N 1 1 343.471 3.824 50 5 EHBAMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252452651 564118594 /nfs/dbraw/zinc/11/85/94/564118594.db2.gz UGWVAISODHQJIW-WBMJQRKESA-N 1 1 345.424 3.820 50 5 EHBAMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252452651 564118595 /nfs/dbraw/zinc/11/85/95/564118595.db2.gz UGWVAISODHQJIW-WBMJQRKESA-N 1 1 345.424 3.820 50 5 EHBAMO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC)c1 ZINC000036753972 213117158 /nfs/dbraw/zinc/11/71/58/213117158.db2.gz AGXRDFBKCKLBHP-UHFFFAOYSA-N 1 1 342.395 3.777 50 5 EHBAMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC)c1 ZINC000036753972 213117161 /nfs/dbraw/zinc/11/71/61/213117161.db2.gz AGXRDFBKCKLBHP-UHFFFAOYSA-N 1 1 342.395 3.777 50 5 EHBAMO O=[N+]([O-])c1ccc2[nH+]c3c4ccccc4[nH]c3c(N3CCOCC3)c2c1 ZINC000022147034 563918524 /nfs/dbraw/zinc/91/85/24/563918524.db2.gz 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