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)Nc1ncccn1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000069394264 406705660 /nfs/dbraw/zinc/70/56/60/406705660.db2.gz TWFXORHIOLTYER-LLVKDONJSA-N 1 2 315.333 1.844 50 5 DDBALO C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000069394264 406705664 /nfs/dbraw/zinc/70/56/64/406705664.db2.gz TWFXORHIOLTYER-LLVKDONJSA-N 1 2 315.333 1.844 50 5 DDBALO O=[N+]([O-])c1cccnc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000069533288 406731356 /nfs/dbraw/zinc/73/13/56/406731356.db2.gz LHZSQSZILORPID-UHFFFAOYSA-N 1 2 318.337 1.262 50 5 DDBALO COC(=O)c1cc(C(=O)NCc2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000072283643 191104438 /nfs/dbraw/zinc/10/44/38/191104438.db2.gz YUILPLSTRBNIDJ-UHFFFAOYSA-N 1 2 304.262 1.035 50 5 DDBALO O=[N+]([O-])c1cccnc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000026717297 406905405 /nfs/dbraw/zinc/90/54/05/406905405.db2.gz LRFNYNMKULUAFW-UHFFFAOYSA-N 1 2 315.333 1.834 50 5 DDBALO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000092007138 407186150 /nfs/dbraw/zinc/18/61/50/407186150.db2.gz FTKUNAZJJZVYIQ-IAQYHMDHSA-N 1 2 321.377 1.793 50 5 DDBALO CC(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000092007138 407186154 /nfs/dbraw/zinc/18/61/54/407186154.db2.gz FTKUNAZJJZVYIQ-IAQYHMDHSA-N 1 2 321.377 1.793 50 5 DDBALO Cc1cc(N[C@@H]2CNC(=O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000095997036 193484716 /nfs/dbraw/zinc/48/47/16/193484716.db2.gz RSODGMASKTVWEC-NSHDSACASA-N 1 2 313.317 1.661 50 5 DDBALO CC[N@H+](CC(=O)N[C@H](C)COC)Cc1ccccc1[N+](=O)[O-] ZINC000040087776 183032565 /nfs/dbraw/zinc/03/25/65/183032565.db2.gz SQRLNSDYNURVKU-GFCCVEGCSA-N 1 2 309.366 1.568 50 5 DDBALO CC[N@@H+](CC(=O)N[C@H](C)COC)Cc1ccccc1[N+](=O)[O-] ZINC000040087776 183032567 /nfs/dbraw/zinc/03/25/67/183032567.db2.gz SQRLNSDYNURVKU-GFCCVEGCSA-N 1 2 309.366 1.568 50 5 DDBALO CN(C)c1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000408514372 418806027 /nfs/dbraw/zinc/80/60/27/418806027.db2.gz KXDNMZNYCIXXAO-UHFFFAOYSA-N 1 2 301.306 1.312 50 5 DDBALO Cc1cnc(N2CCC[C@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000160414867 302350134 /nfs/dbraw/zinc/35/01/34/302350134.db2.gz ICHNPKUEKAXZQQ-ZDUSSCGKSA-N 1 2 306.366 1.599 50 5 DDBALO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Cn1cc[nH+]c1 ZINC000081800781 192327051 /nfs/dbraw/zinc/32/70/51/192327051.db2.gz FZBUONUMCXGAHH-JTQLQIEISA-N 1 2 306.297 1.997 50 5 DDBALO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(O)CC1 ZINC000023993143 182371237 /nfs/dbraw/zinc/37/12/37/182371237.db2.gz TYSQXQHWSPIFSZ-JTQLQIEISA-N 1 2 323.349 1.387 50 5 DDBALO O=C(Cn1c[nH+]cc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000000036238 406616254 /nfs/dbraw/zinc/61/62/54/406616254.db2.gz UHYOSOJISIMHPI-UHFFFAOYSA-N 1 2 316.317 1.317 50 5 DDBALO CNc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000097236900 407289388 /nfs/dbraw/zinc/28/93/88/407289388.db2.gz UACLOJLPIFKFIY-UHFFFAOYSA-N 1 2 307.350 1.975 50 5 DDBALO CNc1ccc(C[N@H+]2CCCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000097236900 407289390 /nfs/dbraw/zinc/28/93/90/407289390.db2.gz UACLOJLPIFKFIY-UHFFFAOYSA-N 1 2 307.350 1.975 50 5 DDBALO O=[N+]([O-])c1ccc(NC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000022135339 182310272 /nfs/dbraw/zinc/31/02/72/182310272.db2.gz LYLIPYDOCVRBDW-UHFFFAOYSA-N 1 2 310.379 1.213 50 5 DDBALO CCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057891884 407218058 /nfs/dbraw/zinc/21/80/58/407218058.db2.gz LOTZAJOPRLYHRO-CYBMUJFWSA-N 1 2 320.393 1.632 50 5 DDBALO COC(=O)c1cnc(N[C@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000585141781 354814968 /nfs/dbraw/zinc/81/49/68/354814968.db2.gz FQMQRTAQQKSBPO-MRVPVSSYSA-N 1 2 305.294 1.683 50 5 DDBALO COc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000006673679 181368552 /nfs/dbraw/zinc/36/85/52/181368552.db2.gz BGWOKEFIPYAAFW-UHFFFAOYSA-N 1 2 304.306 1.620 50 5 DDBALO NC(=O)c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000058266869 184097438 /nfs/dbraw/zinc/09/74/38/184097438.db2.gz UVJJWFVDQPOOHX-ZFWWWQNUSA-N 1 2 319.361 1.837 50 5 DDBALO NC(=O)c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000058266869 184097439 /nfs/dbraw/zinc/09/74/39/184097439.db2.gz UVJJWFVDQPOOHX-ZFWWWQNUSA-N 1 2 319.361 1.837 50 5 DDBALO Cc1c(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000253417513 407443078 /nfs/dbraw/zinc/44/30/78/407443078.db2.gz KOBLQAYNPXJBCH-GXTWGEPZSA-N 1 2 310.375 1.522 50 5 DDBALO Cc1c(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000253417513 407443083 /nfs/dbraw/zinc/44/30/83/407443083.db2.gz KOBLQAYNPXJBCH-GXTWGEPZSA-N 1 2 310.375 1.522 50 5 DDBALO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000084374369 483995410 /nfs/dbraw/zinc/99/54/10/483995410.db2.gz NRJWMKJXYJEZJA-ZIAGYGMSSA-N 1 2 321.402 1.839 50 5 DDBALO O=C(NCC[NH+]1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000019232738 182109934 /nfs/dbraw/zinc/10/99/34/182109934.db2.gz NBNGNCSTXUFEDE-UHFFFAOYSA-N 1 2 313.741 1.310 50 5 DDBALO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047931622 407084323 /nfs/dbraw/zinc/08/43/23/407084323.db2.gz CZLVONKFGHHMOX-JTQLQIEISA-N 1 2 304.306 1.618 50 5 DDBALO CCn1c(C)nnc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000097110164 407281374 /nfs/dbraw/zinc/28/13/74/407281374.db2.gz DBDYCJPMIIIBLA-UHFFFAOYSA-N 1 2 302.338 1.468 50 5 DDBALO CCn1c(C)nnc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000097110164 407281377 /nfs/dbraw/zinc/28/13/77/407281377.db2.gz DBDYCJPMIIIBLA-UHFFFAOYSA-N 1 2 302.338 1.468 50 5 DDBALO O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000020101827 304648261 /nfs/dbraw/zinc/64/82/61/304648261.db2.gz TYAZAWFSARREND-ZDUSSCGKSA-N 1 2 303.318 1.713 50 5 DDBALO C[S@@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000076023438 353391384 /nfs/dbraw/zinc/39/13/84/353391384.db2.gz LAQSQCKYFBBOQF-NRFANRHFSA-N 1 2 315.370 1.234 50 5 DDBALO O=C(Cn1ccc2c1cccc2[N+](=O)[O-])NCCc1c[nH+]c[nH]1 ZINC000096118777 407238809 /nfs/dbraw/zinc/23/88/09/407238809.db2.gz YRZFIPMVIGBJNN-UHFFFAOYSA-N 1 2 313.317 1.632 50 5 DDBALO O=C(Cn1ccc2c1cccc2[N+](=O)[O-])NCCc1c[nH]c[nH+]1 ZINC000096118777 407238812 /nfs/dbraw/zinc/23/88/12/407238812.db2.gz YRZFIPMVIGBJNN-UHFFFAOYSA-N 1 2 313.317 1.632 50 5 DDBALO Cc1[nH]c([C@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)[nH+]c1C ZINC000887268234 709002793 /nfs/dbraw/zinc/00/27/93/709002793.db2.gz GJNCPRNNNJZWJL-SECBINFHSA-N 1 2 303.326 1.648 50 5 DDBALO CC(C)c1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] ZINC000091864816 278035990 /nfs/dbraw/zinc/03/59/90/278035990.db2.gz XIRNKGUHHWSEOB-ZDUSSCGKSA-N 1 2 318.377 1.928 50 5 DDBALO CC(C)c1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] ZINC000091864816 278035991 /nfs/dbraw/zinc/03/59/91/278035991.db2.gz XIRNKGUHHWSEOB-ZDUSSCGKSA-N 1 2 318.377 1.928 50 5 DDBALO O=C1Nc2cc([N+](=O)[O-])ccc2O[C@H]1CC[NH+]1CCOCC1 ZINC000020405103 182214916 /nfs/dbraw/zinc/21/49/16/182214916.db2.gz HSELGPVFODMGGJ-ZDUSSCGKSA-N 1 2 307.306 1.017 50 5 DDBALO O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020448856 406887420 /nfs/dbraw/zinc/88/74/20/406887420.db2.gz URAYMCSCNCTPHP-UHFFFAOYSA-N 1 2 302.290 1.545 50 5 DDBALO Cn1c2ccccc2nc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000089749690 407146351 /nfs/dbraw/zinc/14/63/51/407146351.db2.gz CCAUZGSJGWFUHE-UHFFFAOYSA-N 1 2 314.349 1.810 50 5 DDBALO Cn1c2ccccc2nc1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000089749690 407146353 /nfs/dbraw/zinc/14/63/53/407146353.db2.gz CCAUZGSJGWFUHE-UHFFFAOYSA-N 1 2 314.349 1.810 50 5 DDBALO Cc1c(NC(=O)NCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000065547430 184363818 /nfs/dbraw/zinc/36/38/18/184363818.db2.gz SPLWOUVXNRRWMZ-UHFFFAOYSA-N 1 2 308.338 1.357 50 5 DDBALO COC(=O)c1cc(NC[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000065552033 184364985 /nfs/dbraw/zinc/36/49/85/184364985.db2.gz MDBXRHCFPXQKSK-NSHDSACASA-N 1 2 323.349 1.514 50 5 DDBALO C[NH+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000069456590 406718271 /nfs/dbraw/zinc/71/82/71/406718271.db2.gz ZWGIPXJUXXBUTN-UHFFFAOYSA-N 1 2 315.333 1.168 50 5 DDBALO CC(C)NC(=O)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346680 406903447 /nfs/dbraw/zinc/90/34/47/406903447.db2.gz TYNDYRFDHPXUHU-UHFFFAOYSA-N 1 2 308.338 1.261 50 5 DDBALO CC(C)NC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346680 406903449 /nfs/dbraw/zinc/90/34/49/406903449.db2.gz TYNDYRFDHPXUHU-UHFFFAOYSA-N 1 2 308.338 1.261 50 5 DDBALO CCCC[N@H+](CC(N)=O)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000032927234 406956552 /nfs/dbraw/zinc/95/65/52/406956552.db2.gz PIACGOQYQTXXRG-UHFFFAOYSA-N 1 2 308.338 1.121 50 5 DDBALO CCCC[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000032927234 406956554 /nfs/dbraw/zinc/95/65/54/406956554.db2.gz PIACGOQYQTXXRG-UHFFFAOYSA-N 1 2 308.338 1.121 50 5 DDBALO C[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000020272623 182202611 /nfs/dbraw/zinc/20/26/11/182202611.db2.gz RCIHSUJVBOIIDR-GFCCVEGCSA-N 1 2 307.350 1.147 50 5 DDBALO COc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000047931504 183609658 /nfs/dbraw/zinc/60/96/58/183609658.db2.gz FESKEMGXOZAFPA-JTQLQIEISA-N 1 2 304.306 1.618 50 5 DDBALO O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)nc1 ZINC000012823367 406852326 /nfs/dbraw/zinc/85/23/26/406852326.db2.gz MUBJPXLPHTZJTP-UHFFFAOYSA-N 1 2 315.333 1.834 50 5 DDBALO CNc1ccc(C[NH+]2CCN(C(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000097032626 185399300 /nfs/dbraw/zinc/39/93/00/185399300.db2.gz ZTVGMOWHCHBKEE-UHFFFAOYSA-N 1 2 321.381 1.436 50 5 DDBALO Cc1ccc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000069351536 406700889 /nfs/dbraw/zinc/70/08/89/406700889.db2.gz YVLLMJHRDDJLBO-UHFFFAOYSA-N 1 2 324.362 1.457 50 5 DDBALO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000020405380 406887781 /nfs/dbraw/zinc/88/77/81/406887781.db2.gz PKYYLZODOGXZMK-GFCCVEGCSA-N 1 2 319.283 1.640 50 5 DDBALO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047638453 418459996 /nfs/dbraw/zinc/45/99/96/418459996.db2.gz KLRMITJZOLXIFO-HBNTYKKESA-N 1 2 311.338 1.415 50 5 DDBALO C[C@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000097044241 696605045 /nfs/dbraw/zinc/60/50/45/696605045.db2.gz RBQQQIBGBLVOKZ-FMFIFOJESA-N 1 2 319.361 1.445 50 5 DDBALO CN(C)C(=O)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000222068648 539265274 /nfs/dbraw/zinc/26/52/74/539265274.db2.gz YQOCUKHPRWTUDP-ALCCZGGFSA-N 1 2 318.377 1.907 50 5 DDBALO NC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000175157566 283298946 /nfs/dbraw/zinc/29/89/46/283298946.db2.gz BRHAEJAQZRNZFK-UHFFFAOYSA-N 1 2 312.757 1.835 50 5 DDBALO NC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000175157566 283298950 /nfs/dbraw/zinc/29/89/50/283298950.db2.gz BRHAEJAQZRNZFK-UHFFFAOYSA-N 1 2 312.757 1.835 50 5 DDBALO CC(=O)N[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000048273910 418468736 /nfs/dbraw/zinc/46/87/36/418468736.db2.gz FYVIQHQHKBTHLH-CYBMUJFWSA-N 1 2 317.349 1.503 50 5 DDBALO CC(=O)N[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000048273910 418468739 /nfs/dbraw/zinc/46/87/39/418468739.db2.gz FYVIQHQHKBTHLH-CYBMUJFWSA-N 1 2 317.349 1.503 50 5 DDBALO CN(C)C(=O)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000097032624 185399240 /nfs/dbraw/zinc/39/92/40/185399240.db2.gz YQOCUKHPRWTUDP-FNORWQNLSA-N 1 2 318.377 1.907 50 5 DDBALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C2 ZINC000195566538 354297935 /nfs/dbraw/zinc/29/79/35/354297935.db2.gz FHAMQPDBNLRAKP-SNVBAGLBSA-N 1 2 315.333 1.427 50 5 DDBALO Cn1ncc2c1nc[nH+]c2NCCNc1ccccc1[N+](=O)[O-] ZINC000012486438 406847057 /nfs/dbraw/zinc/84/70/57/406847057.db2.gz DTRJEAYCOMWBEF-UHFFFAOYSA-N 1 2 313.321 1.796 50 5 DDBALO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000036021336 406975633 /nfs/dbraw/zinc/97/56/33/406975633.db2.gz QVLBUTWRIIGYFT-UHFFFAOYSA-N 1 2 319.770 1.184 50 5 DDBALO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000248086791 408535427 /nfs/dbraw/zinc/53/54/27/408535427.db2.gz SNAQHXUZKQFKST-BFJAYTPKSA-N 1 2 315.373 1.795 50 5 DDBALO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000248086791 408535431 /nfs/dbraw/zinc/53/54/31/408535431.db2.gz SNAQHXUZKQFKST-BFJAYTPKSA-N 1 2 315.373 1.795 50 5 DDBALO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000022612104 182327797 /nfs/dbraw/zinc/32/77/97/182327797.db2.gz CSTDQUBHRNOSOF-TXEJJXNPSA-N 1 2 307.350 1.434 50 5 DDBALO C[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000022612104 182327798 /nfs/dbraw/zinc/32/77/98/182327798.db2.gz CSTDQUBHRNOSOF-TXEJJXNPSA-N 1 2 307.350 1.434 50 5 DDBALO C/C(=[NH+]\NC(=O)C1=CC[C@H]([N+](=O)[O-])C=C1)c1ccc(N)cc1 ZINC000004947949 406728523 /nfs/dbraw/zinc/72/85/23/406728523.db2.gz JHKRPAURHADAPZ-NGWPFTMJSA-N 1 2 300.318 1.641 50 5 DDBALO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000248086793 408535383 /nfs/dbraw/zinc/53/53/83/408535383.db2.gz SNAQHXUZKQFKST-SDADXPQNSA-N 1 2 315.373 1.795 50 5 DDBALO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000248086793 408535387 /nfs/dbraw/zinc/53/53/87/408535387.db2.gz SNAQHXUZKQFKST-SDADXPQNSA-N 1 2 315.373 1.795 50 5 DDBALO CC(C)(C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000283048147 409076788 /nfs/dbraw/zinc/07/67/88/409076788.db2.gz BPOCZUJQSFQJST-UHFFFAOYSA-N 1 2 321.377 1.364 50 5 DDBALO O=C(C1CCCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000078972589 353543878 /nfs/dbraw/zinc/54/38/78/353543878.db2.gz JUBUUOJTQGHGOG-UHFFFAOYSA-N 1 2 321.381 1.126 50 5 DDBALO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106057215 194182960 /nfs/dbraw/zinc/18/29/60/194182960.db2.gz KLRMITJZOLXIFO-MXWKQRLJSA-N 1 2 311.338 1.415 50 5 DDBALO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106057215 194182963 /nfs/dbraw/zinc/18/29/63/194182963.db2.gz KLRMITJZOLXIFO-MXWKQRLJSA-N 1 2 311.338 1.415 50 5 DDBALO CC(C)(CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCS(=O)CC1 ZINC000072293284 191109834 /nfs/dbraw/zinc/10/98/34/191109834.db2.gz OSQIJUGAZXEWNL-UHFFFAOYSA-N 1 2 312.395 1.245 50 5 DDBALO O=C1Nc2cc([N+](=O)[O-])ccc2O[C@@H]1CC[NH+]1CCOCC1 ZINC000020405101 182215047 /nfs/dbraw/zinc/21/50/47/182215047.db2.gz HSELGPVFODMGGJ-CYBMUJFWSA-N 1 2 307.306 1.017 50 5 DDBALO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cncs3)CC2)nc1 ZINC000096489667 407272319 /nfs/dbraw/zinc/27/23/19/407272319.db2.gz FFQYQOLUZZSWTH-UHFFFAOYSA-N 1 2 305.363 1.769 50 5 DDBALO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000192575485 418524876 /nfs/dbraw/zinc/52/48/76/418524876.db2.gz FDAOYEYMQHQFJB-GFCCVEGCSA-N 1 2 309.370 1.395 50 5 DDBALO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000192575485 418524878 /nfs/dbraw/zinc/52/48/78/418524878.db2.gz FDAOYEYMQHQFJB-GFCCVEGCSA-N 1 2 309.370 1.395 50 5 DDBALO C[C@@H]1C[NH+]=C(N2CCN(c3ncccc3[N+](=O)[O-])CC2)S1 ZINC000096424090 257210598 /nfs/dbraw/zinc/21/05/98/257210598.db2.gz APLYUNIEHGAZRR-SNVBAGLBSA-N 1 2 307.379 1.603 50 5 DDBALO CCCCNC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000025372150 406896731 /nfs/dbraw/zinc/89/67/31/406896731.db2.gz HYPSTKGBKPPHHW-UHFFFAOYSA-N 1 2 320.393 1.633 50 5 DDBALO Cc1c(C[NH+]2CCC([N@H+](C)CC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000186674034 407738702 /nfs/dbraw/zinc/73/87/02/407738702.db2.gz LCWSTWFKIQLEFE-UHFFFAOYSA-N 1 2 321.377 1.884 50 5 DDBALO Cc1c(C[NH+]2CCC([N@@H+](C)CC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000186674034 407738728 /nfs/dbraw/zinc/73/87/28/407738728.db2.gz LCWSTWFKIQLEFE-UHFFFAOYSA-N 1 2 321.377 1.884 50 5 DDBALO CCC(=O)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000095432612 185363910 /nfs/dbraw/zinc/36/39/10/185363910.db2.gz IYBULQINXGCBRL-AWEZNQCLSA-N 1 2 307.350 1.182 50 5 DDBALO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000084502363 353723829 /nfs/dbraw/zinc/72/38/29/353723829.db2.gz SXJXZSBACBEXGJ-AWEZNQCLSA-N 1 2 319.361 1.070 50 5 DDBALO COC(=O)c1cnc(N[C@@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000585141782 354814682 /nfs/dbraw/zinc/81/46/82/354814682.db2.gz FQMQRTAQQKSBPO-QMMMGPOBSA-N 1 2 305.294 1.683 50 5 DDBALO O=C(NCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000006974265 406745790 /nfs/dbraw/zinc/74/57/90/406745790.db2.gz SRYKEFARPKEPSZ-UHFFFAOYSA-N 1 2 319.277 1.520 50 5 DDBALO O=[N+]([O-])[C@@]12C=CC[C@@]([N+](=O)[O-])(C[N@@H+](Cc3ccccc3)C1)C2 ZINC000019787235 406886733 /nfs/dbraw/zinc/88/67/33/406886733.db2.gz SRDQDMVAKXLEIV-CABCVRRESA-N 1 2 303.318 1.883 50 5 DDBALO O=[N+]([O-])[C@@]12C=CC[C@@]([N+](=O)[O-])(C[N@H+](Cc3ccccc3)C1)C2 ZINC000019787235 406886737 /nfs/dbraw/zinc/88/67/37/406886737.db2.gz SRDQDMVAKXLEIV-CABCVRRESA-N 1 2 303.318 1.883 50 5 DDBALO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047931623 407084013 /nfs/dbraw/zinc/08/40/13/407084013.db2.gz CZLVONKFGHHMOX-SNVBAGLBSA-N 1 2 304.306 1.618 50 5 DDBALO Cc1cc([N+](=O)[O-])cnc1N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000096453743 407269311 /nfs/dbraw/zinc/26/93/11/407269311.db2.gz 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ZINC000193722719 201111938 /nfs/dbraw/zinc/11/19/38/201111938.db2.gz IPFSIKNUABGYGP-OAHLLOKOSA-N 1 2 308.334 1.465 50 5 DDBALO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000193722719 201111941 /nfs/dbraw/zinc/11/19/41/201111941.db2.gz IPFSIKNUABGYGP-OAHLLOKOSA-N 1 2 308.334 1.465 50 5 DDBALO C[C@H]1C[NH+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000022612105 182327786 /nfs/dbraw/zinc/32/77/86/182327786.db2.gz CSTDQUBHRNOSOF-RYUDHWBXSA-N 1 2 307.350 1.434 50 5 DDBALO COc1cc[nH+]cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000058310164 184103531 /nfs/dbraw/zinc/10/35/31/184103531.db2.gz JAXCSOXYAAKBPC-UHFFFAOYSA-N 1 2 306.253 1.972 50 5 DDBALO O=[N+]([O-])c1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)nc1 ZINC000069740558 406764927 /nfs/dbraw/zinc/76/49/27/406764927.db2.gz LUYXOEQEZDRUFF-UHFFFAOYSA-N 1 2 318.337 1.262 50 5 DDBALO CCOCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000008746599 406794905 /nfs/dbraw/zinc/79/49/05/406794905.db2.gz FTTRKNOJTBOSGT-UHFFFAOYSA-N 1 2 318.333 1.937 50 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/nfs/dbraw/zinc/45/58/05/418455805.db2.gz LZACESXNAZWUJC-UHFFFAOYSA-N 1 2 305.338 1.552 50 5 DDBALO CN(C)c1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000040512674 183087956 /nfs/dbraw/zinc/08/79/56/183087956.db2.gz JOMNUSRTWXGUFF-UHFFFAOYSA-N 1 2 314.345 1.915 50 5 DDBALO O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CC[NH+]1CCOCC1 ZINC000012958799 406855781 /nfs/dbraw/zinc/85/57/81/406855781.db2.gz RTIGEQWOXHPYPG-GFCCVEGCSA-N 1 2 307.306 1.017 50 5 DDBALO C[C@H]1C[NH+](CCNC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000026225210 406903461 /nfs/dbraw/zinc/90/34/61/406903461.db2.gz HWIIYHZVMLUTLH-RYUDHWBXSA-N 1 2 322.365 1.826 50 5 DDBALO Cc1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000065538207 184363273 /nfs/dbraw/zinc/36/32/73/184363273.db2.gz JCLQWBZALYYCJI-UHFFFAOYSA-N 1 2 308.338 1.357 50 5 DDBALO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000069413793 406704670 /nfs/dbraw/zinc/70/46/70/406704670.db2.gz APGICYBANSHEPF-LLVKDONJSA-N 1 2 317.349 1.685 50 5 DDBALO CC[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000069413793 406704674 /nfs/dbraw/zinc/70/46/74/406704674.db2.gz APGICYBANSHEPF-LLVKDONJSA-N 1 2 317.349 1.685 50 5 DDBALO Cc1[nH+]c2ccccc2n1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000096435682 407265599 /nfs/dbraw/zinc/26/55/99/407265599.db2.gz KVYOSPIDUMUDGQ-LBPRGKRZSA-N 1 2 301.306 1.511 50 5 DDBALO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000221882456 407551143 /nfs/dbraw/zinc/55/11/43/407551143.db2.gz DNNGPTGDVPUIIW-FZMZJTMJSA-N 1 2 319.361 1.857 50 5 DDBALO O=[N+]([O-])c1cccc(S(=O)(=O)NCCCn2cc[nH+]c2)c1 ZINC000004678710 181136072 /nfs/dbraw/zinc/13/60/72/181136072.db2.gz NXOBUSQGOUDDAI-UHFFFAOYSA-N 1 2 310.335 1.160 50 5 DDBALO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000001786804 406677124 /nfs/dbraw/zinc/67/71/24/406677124.db2.gz BMMLHYVLHAFTBK-UHFFFAOYSA-N 1 2 308.294 1.281 50 5 DDBALO CC(C)c1ccc(C[NH+]2CCN(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000095982370 407220243 /nfs/dbraw/zinc/22/02/43/407220243.db2.gz ZHCWLFJGHRPUGA-UHFFFAOYSA-N 1 2 320.393 1.321 50 5 DDBALO CC(C)c1ccc(CN2CC[NH+](CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000095982370 407220245 /nfs/dbraw/zinc/22/02/45/407220245.db2.gz ZHCWLFJGHRPUGA-UHFFFAOYSA-N 1 2 320.393 1.321 50 5 DDBALO C[C@H](CNC(=O)[C@H]1C[C@H]1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000252477521 408795805 /nfs/dbraw/zinc/79/58/05/408795805.db2.gz PVHDRJFKGMYCEI-ADEWGFFLSA-N 1 2 309.391 1.276 50 5 DDBALO C[C@H](CNC(=O)[C@H]1C[C@H]1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000252477521 408795810 /nfs/dbraw/zinc/79/58/10/408795810.db2.gz PVHDRJFKGMYCEI-ADEWGFFLSA-N 1 2 309.391 1.276 50 5 DDBALO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000006456291 181341963 /nfs/dbraw/zinc/34/19/63/181341963.db2.gz CZCYZTJPKYLICR-UHFFFAOYSA-N 1 2 310.335 1.160 50 5 DDBALO CC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000014398789 406875067 /nfs/dbraw/zinc/87/50/67/406875067.db2.gz OEFHCMPDSDEDSS-UHFFFAOYSA-N 1 2 313.379 1.229 50 5 DDBALO CC(=O)N1N=C2[C@@H]([C@H]1c1ccc([N+](=O)[O-])cc1)[NH+]1CCC2CC1 ZINC000019791337 275778279 /nfs/dbraw/zinc/77/82/79/275778279.db2.gz OMTQXFHLBYPEMY-CVEARBPZSA-N 1 2 314.345 1.948 50 5 DDBALO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000084502361 353723976 /nfs/dbraw/zinc/72/39/76/353723976.db2.gz SXJXZSBACBEXGJ-CQSZACIVSA-N 1 2 319.361 1.070 50 5 DDBALO COC(=O)[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000019735867 182140186 /nfs/dbraw/zinc/14/01/86/182140186.db2.gz WTQAJTXGFCGIAG-WPRPVWTQSA-N 1 2 300.698 1.531 50 5 DDBALO COC(=O)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000241231187 407910045 /nfs/dbraw/zinc/91/00/45/407910045.db2.gz KSWNAWROMRAKCC-LLVKDONJSA-N 1 2 308.338 1.287 50 5 DDBALO COC(=O)C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000241231187 407910054 /nfs/dbraw/zinc/91/00/54/407910054.db2.gz KSWNAWROMRAKCC-LLVKDONJSA-N 1 2 308.338 1.287 50 5 DDBALO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000071904627 406865892 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CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000252587392 288316909 /nfs/dbraw/zinc/31/69/09/288316909.db2.gz XWYDDLVIRDDWFG-AAEUAGOBSA-N 1 2 319.361 1.999 50 5 DDBALO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000252587392 288316912 /nfs/dbraw/zinc/31/69/12/288316912.db2.gz XWYDDLVIRDDWFG-AAEUAGOBSA-N 1 2 319.361 1.999 50 5 DDBALO Cc1cccc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000225459516 407587220 /nfs/dbraw/zinc/58/72/20/407587220.db2.gz IXWVVBNAUPYWPB-CYBMUJFWSA-N 1 2 309.366 1.033 50 5 DDBALO CC[N@H+](CC(=O)N[C@H](C)COC)Cc1cccc([N+](=O)[O-])c1 ZINC000048041065 418463654 /nfs/dbraw/zinc/46/36/54/418463654.db2.gz LUHIAIKBOLRSNH-GFCCVEGCSA-N 1 2 309.366 1.568 50 5 DDBALO CC[N@@H+](CC(=O)N[C@H](C)COC)Cc1cccc([N+](=O)[O-])c1 ZINC000048041065 418463656 /nfs/dbraw/zinc/46/36/56/418463656.db2.gz LUHIAIKBOLRSNH-GFCCVEGCSA-N 1 2 309.366 1.568 50 5 DDBALO NNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCCC2)[nH+]1 ZINC000006276596 181325614 /nfs/dbraw/zinc/32/56/14/181325614.db2.gz SIWMAUAXHZIVEY-UHFFFAOYSA-N 1 2 316.325 1.409 50 5 DDBALO Cc1cc2[nH+]cn(C[C@@H](O)Cn3cnc([N+](=O)[O-])c3)c2cc1C ZINC000076481601 406970316 /nfs/dbraw/zinc/97/03/16/406970316.db2.gz YQTSFLDYOOEIEE-LBPRGKRZSA-N 1 2 315.333 1.819 50 5 DDBALO COCC[NH+](CCOC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023329953 182357464 /nfs/dbraw/zinc/35/74/64/182357464.db2.gz VARVCMFZAWNLTL-UHFFFAOYSA-N 1 2 311.338 1.128 50 5 DDBALO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000069563318 406734530 /nfs/dbraw/zinc/73/45/30/406734530.db2.gz YNRHXDXXQQPDQD-ZDUSSCGKSA-N 1 2 307.350 1.832 50 5 DDBALO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000069563318 406734534 /nfs/dbraw/zinc/73/45/34/406734534.db2.gz YNRHXDXXQQPDQD-ZDUSSCGKSA-N 1 2 307.350 1.832 50 5 DDBALO CC[N@H+](CC(=O)NCCCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000030967480 406935865 /nfs/dbraw/zinc/93/58/65/406935865.db2.gz BAGJPAVSQCJVLD-UHFFFAOYSA-N 1 2 309.366 1.569 50 5 DDBALO CC[N@@H+](CC(=O)NCCCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000030967480 406935867 /nfs/dbraw/zinc/93/58/67/406935867.db2.gz BAGJPAVSQCJVLD-UHFFFAOYSA-N 1 2 309.366 1.569 50 5 DDBALO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000097097321 407279812 /nfs/dbraw/zinc/27/98/12/407279812.db2.gz VYQBZXFRUPYCSK-YPMHNXCESA-N 1 2 319.361 1.999 50 5 DDBALO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000097097321 407279814 /nfs/dbraw/zinc/27/98/14/407279814.db2.gz VYQBZXFRUPYCSK-YPMHNXCESA-N 1 2 319.361 1.999 50 5 DDBALO Cc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000247989252 408525742 /nfs/dbraw/zinc/52/57/42/408525742.db2.gz LRUFIUVFTWMKNN-CHWSQXEVSA-N 1 2 321.377 1.742 50 5 DDBALO Cc1cccc(C(=O)NC[C@@H](C)[N@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000247989252 408525747 /nfs/dbraw/zinc/52/57/47/408525747.db2.gz LRUFIUVFTWMKNN-CHWSQXEVSA-N 1 2 321.377 1.742 50 5 DDBALO Nc1nc(NCc2ccccc2-n2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000091506261 193066080 /nfs/dbraw/zinc/06/60/80/193066080.db2.gz ABFIKYMNHXIHOL-UHFFFAOYSA-N 1 2 311.305 1.765 50 5 DDBALO Cc1c(CC(=O)N(C)Cc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000119905839 195059376 /nfs/dbraw/zinc/05/93/76/195059376.db2.gz HTKSLTRIZIERJJ-UHFFFAOYSA-N 1 2 302.334 1.838 50 5 DDBALO CC(C)[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000035585742 406973581 /nfs/dbraw/zinc/97/35/81/406973581.db2.gz SXJYMWKCHKEWNX-UHFFFAOYSA-N 1 2 313.379 1.310 50 5 DDBALO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCCn1cc[nH+]c1 ZINC000075138080 406923471 /nfs/dbraw/zinc/92/34/71/406923471.db2.gz BHBYJSZHECUPEV-UHFFFAOYSA-N 1 2 302.334 1.930 50 5 DDBALO CCc1nnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000072664963 191211774 /nfs/dbraw/zinc/21/17/74/191211774.db2.gz QDLCJWJOOVIMSB-SNVBAGLBSA-N 1 2 318.337 1.622 50 5 DDBALO CCc1nnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000072664963 191211777 /nfs/dbraw/zinc/21/17/77/191211777.db2.gz QDLCJWJOOVIMSB-SNVBAGLBSA-N 1 2 318.337 1.622 50 5 DDBALO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000070039585 406807384 /nfs/dbraw/zinc/80/73/84/406807384.db2.gz SNAQHXUZKQFKST-VRKREXBASA-N 1 2 315.373 1.795 50 5 DDBALO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000070039585 406807385 /nfs/dbraw/zinc/80/73/85/406807385.db2.gz SNAQHXUZKQFKST-VRKREXBASA-N 1 2 315.373 1.795 50 5 DDBALO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000095959997 407217999 /nfs/dbraw/zinc/21/79/99/407217999.db2.gz UBKOMJHZGMHGMB-UONOGXRCSA-N 1 2 308.334 1.400 50 5 DDBALO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000095959997 407218000 /nfs/dbraw/zinc/21/80/00/407218000.db2.gz UBKOMJHZGMHGMB-UONOGXRCSA-N 1 2 308.334 1.400 50 5 DDBALO C[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000097044226 696605115 /nfs/dbraw/zinc/60/51/15/696605115.db2.gz CBWGLRNXYAGECH-CFHLNLSMSA-N 1 2 319.361 1.445 50 5 DDBALO COC(=O)c1cnc(NCC(C)(C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000585141085 354814908 /nfs/dbraw/zinc/81/49/08/354814908.db2.gz PBCJKJOEKZDDJB-UHFFFAOYSA-N 1 2 319.321 1.820 50 5 DDBALO Cc1cc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000029728421 182575858 /nfs/dbraw/zinc/57/58/58/182575858.db2.gz XBVAPGZRQQHFCL-AWEZNQCLSA-N 1 2 321.333 1.763 50 5 DDBALO Cc1cc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000029728421 182575859 /nfs/dbraw/zinc/57/58/59/182575859.db2.gz XBVAPGZRQQHFCL-AWEZNQCLSA-N 1 2 321.333 1.763 50 5 DDBALO Cn1ccnc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000076091370 406955099 /nfs/dbraw/zinc/95/50/99/406955099.db2.gz ANHLRJWGPNEDLE-NSHDSACASA-N 1 2 302.338 1.410 50 5 DDBALO Cn1ccnc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000076091370 406955101 /nfs/dbraw/zinc/95/51/01/406955101.db2.gz ANHLRJWGPNEDLE-NSHDSACASA-N 1 2 302.338 1.410 50 5 DDBALO CC(=O)N1N=C2[C@H]([C@H]1c1ccc([N+](=O)[O-])cc1)[NH+]1CCC2CC1 ZINC000019791338 277021268 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CC[N@@H+](CC(=O)NCCCOC)Cc1ccccc1[N+](=O)[O-] ZINC000040087782 183032874 /nfs/dbraw/zinc/03/28/74/183032874.db2.gz QAPNPCQMMCGWCE-UHFFFAOYSA-N 1 2 309.366 1.569 50 5 DDBALO CN1CC[NH+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000042543756 183283501 /nfs/dbraw/zinc/28/35/01/183283501.db2.gz USSNHBHEUIGJEG-UHFFFAOYSA-N 1 2 320.393 1.351 50 5 DDBALO O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000004725368 406726150 /nfs/dbraw/zinc/72/61/50/406726150.db2.gz ADMURULNEKRRIB-UHFFFAOYSA-N 1 2 312.329 1.952 50 5 DDBALO CC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000008055326 279375142 /nfs/dbraw/zinc/37/51/42/279375142.db2.gz KNPKEUNEZQZBRE-UHFFFAOYSA-N 1 2 313.379 1.140 50 5 DDBALO Cc1[nH]c([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)[nH+]c1C ZINC000887268235 709002762 /nfs/dbraw/zinc/00/27/62/709002762.db2.gz GJNCPRNNNJZWJL-VIFPVBQESA-N 1 2 303.326 1.648 50 5 DDBALO C[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000033081274 182691807 /nfs/dbraw/zinc/69/18/07/182691807.db2.gz RBQQQIBGBLVOKZ-YBJDMEARSA-N 1 2 319.361 1.445 50 5 DDBALO O=[N+]([O-])c1cccc(-n2nnnc2C[NH+]2CCCCCC2)c1 ZINC000004907297 181171155 /nfs/dbraw/zinc/17/11/55/181171155.db2.gz KWYSUAPTRQHRPF-UHFFFAOYSA-N 1 2 302.338 1.947 50 5 DDBALO CCOC(=O)C[N@@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192795295 408650759 /nfs/dbraw/zinc/65/07/59/408650759.db2.gz LSDYBRSSKHSSQS-UHFFFAOYSA-N 1 2 322.365 1.252 50 5 DDBALO CCOC(=O)C[N@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192795295 408650764 /nfs/dbraw/zinc/65/07/64/408650764.db2.gz LSDYBRSSKHSSQS-UHFFFAOYSA-N 1 2 322.365 1.252 50 5 DDBALO C[S@@](=O)CC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000076023452 353391608 /nfs/dbraw/zinc/39/16/08/353391608.db2.gz WTGGBJNUPAPJKL-NRFANRHFSA-N 1 2 315.370 1.234 50 5 DDBALO O=[N+]([O-])c1ccccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000069527793 406730022 /nfs/dbraw/zinc/73/00/22/406730022.db2.gz OUNSYEPWUYDWRD-UHFFFAOYSA-N 1 2 317.349 1.867 50 5 DDBALO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCc2c[nH+]cn2C1 ZINC000239782412 407904557 /nfs/dbraw/zinc/90/45/57/407904557.db2.gz COHUXYHVTYYZFR-GFCCVEGCSA-N 1 2 300.318 1.670 50 5 DDBALO CC(=O)N[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000048273913 418468599 /nfs/dbraw/zinc/46/85/99/418468599.db2.gz FYVIQHQHKBTHLH-ZDUSSCGKSA-N 1 2 317.349 1.503 50 5 DDBALO CC(=O)N[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000048273913 418468602 /nfs/dbraw/zinc/46/86/02/418468602.db2.gz FYVIQHQHKBTHLH-ZDUSSCGKSA-N 1 2 317.349 1.503 50 5 DDBALO O=[N+]([O-])c1cc([N+](=O)[O-])c(-n2cc[nH+]c2)nc1-n1ccnc1 ZINC000002896201 280360967 /nfs/dbraw/zinc/36/09/67/280360967.db2.gz JRDSZGXHNFTIOO-UHFFFAOYSA-N 1 2 301.222 1.269 50 5 DDBALO CCOc1cc(NC[C@@H]2CN3CC[NH+]2CC3)ccc1[N+](=O)[O-] ZINC000170683227 197806627 /nfs/dbraw/zinc/80/66/27/197806627.db2.gz WMIOFSSJWPDJCE-CYBMUJFWSA-N 1 2 306.366 1.405 50 5 DDBALO Cc1cccc2[nH+]c(CCNc3c([N+](=O)[O-])ncn3C)cn21 ZINC000585089064 539556554 /nfs/dbraw/zinc/55/65/54/539556554.db2.gz QSIMUTPXEIEHQN-UHFFFAOYSA-N 1 2 300.322 1.939 50 5 DDBALO CCN(CC)S(=O)(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000020666723 182242017 /nfs/dbraw/zinc/24/20/17/182242017.db2.gz WKWXSIFLUJNSBQ-UHFFFAOYSA-N 1 2 324.362 1.811 50 5 DDBALO CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000033040308 256532047 /nfs/dbraw/zinc/53/20/47/256532047.db2.gz OJTRGUWSYFEJQT-UHFFFAOYSA-N 1 2 322.365 1.827 50 5 DDBALO O=C(CCCn1cc[nH+]c1)NCCNc1ccccc1[N+](=O)[O-] ZINC000069967849 406797126 /nfs/dbraw/zinc/79/71/26/406797126.db2.gz BDBZEUAVJJXTID-UHFFFAOYSA-N 1 2 317.349 1.800 50 5 DDBALO O=[N+]([O-])c1cnc(N2CC[NH+](CCCO)CC2)c(Cl)c1 ZINC000096412869 407261315 /nfs/dbraw/zinc/26/13/15/407261315.db2.gz LUXZYFAIQDJPFG-UHFFFAOYSA-N 1 2 300.746 1.148 50 5 DDBALO C[N@H+](CC(=O)NC(=O)NC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000032825447 406954612 /nfs/dbraw/zinc/95/46/12/406954612.db2.gz VGAGZNPDAKXGFB-UHFFFAOYSA-N 1 2 306.322 1.015 50 5 DDBALO C[N@@H+](CC(=O)NC(=O)NC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000032825447 406954616 /nfs/dbraw/zinc/95/46/16/406954616.db2.gz VGAGZNPDAKXGFB-UHFFFAOYSA-N 1 2 306.322 1.015 50 5 DDBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCOCC1 ZINC000069514711 406726548 /nfs/dbraw/zinc/72/65/48/406726548.db2.gz JVRMHRDSDMJQTM-UHFFFAOYSA-N 1 2 308.338 1.357 50 5 DDBALO O=C(CCNc1ccc([N+](=O)[O-])cn1)NCCCn1cc[nH+]c1 ZINC000013728687 406867051 /nfs/dbraw/zinc/86/70/51/406867051.db2.gz XIVKYLLBHBFPAA-UHFFFAOYSA-N 1 2 318.337 1.195 50 5 DDBALO Cc1cc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000071909099 406867146 /nfs/dbraw/zinc/86/71/46/406867146.db2.gz VQNVPPUNODFSGE-UHFFFAOYSA-N 1 2 324.362 1.457 50 5 DDBALO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000248086792 408533974 /nfs/dbraw/zinc/53/39/74/408533974.db2.gz SNAQHXUZKQFKST-DARAHFNDSA-N 1 2 315.373 1.795 50 5 DDBALO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000248086792 408533980 /nfs/dbraw/zinc/53/39/80/408533980.db2.gz SNAQHXUZKQFKST-DARAHFNDSA-N 1 2 315.373 1.795 50 5 DDBALO O=[N+]([O-])c1cccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000071892936 406862393 /nfs/dbraw/zinc/86/23/93/406862393.db2.gz OPWIZFYLRGCVMQ-CQSZACIVSA-N 1 2 310.375 1.746 50 5 DDBALO O=[N+]([O-])c1cccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000071892936 406862397 /nfs/dbraw/zinc/86/23/97/406862397.db2.gz OPWIZFYLRGCVMQ-CQSZACIVSA-N 1 2 310.375 1.746 50 5 DDBALO COC(=O)[C@@H]1C[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000019735866 182140403 /nfs/dbraw/zinc/14/04/03/182140403.db2.gz WTQAJTXGFCGIAG-SCZZXKLOSA-N 1 2 300.698 1.531 50 5 DDBALO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000252587393 287228842 /nfs/dbraw/zinc/22/88/42/287228842.db2.gz XWYDDLVIRDDWFG-YPMHNXCESA-N 1 2 319.361 1.999 50 5 DDBALO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000252587393 287228844 /nfs/dbraw/zinc/22/88/44/287228844.db2.gz XWYDDLVIRDDWFG-YPMHNXCESA-N 1 2 319.361 1.999 50 5 DDBALO C[S@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000076023441 353391691 /nfs/dbraw/zinc/39/16/91/353391691.db2.gz LAQSQCKYFBBOQF-OAQYLSRUSA-N 1 2 315.370 1.234 50 5 DDBALO C[N@H+](CC(=O)NCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000026346777 406904716 /nfs/dbraw/zinc/90/47/16/406904716.db2.gz ZNRKTQTWNSHWMG-UHFFFAOYSA-N 1 2 305.256 1.705 50 5 DDBALO C[N@@H+](CC(=O)NCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000026346777 406904718 /nfs/dbraw/zinc/90/47/18/406904718.db2.gz ZNRKTQTWNSHWMG-UHFFFAOYSA-N 1 2 305.256 1.705 50 5 DDBALO O=[N+]([O-])c1ccc(N2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000039971499 407001870 /nfs/dbraw/zinc/00/18/70/407001870.db2.gz WSCGBABDTOHRLZ-UHFFFAOYSA-N 1 2 320.393 1.049 50 5 DDBALO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000095959996 407217950 /nfs/dbraw/zinc/21/79/50/407217950.db2.gz UBKOMJHZGMHGMB-ZIAGYGMSSA-N 1 2 308.334 1.400 50 5 DDBALO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000095959996 407217952 /nfs/dbraw/zinc/21/79/52/407217952.db2.gz UBKOMJHZGMHGMB-ZIAGYGMSSA-N 1 2 308.334 1.400 50 5 DDBALO Cc1cc([N+](=O)[O-])cnc1N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000096453744 280664262 /nfs/dbraw/zinc/66/42/62/280664262.db2.gz CILPCEBTFNQQIU-LLVKDONJSA-N 1 2 321.406 1.912 50 5 DDBALO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC[NH+]1CCOCC1 ZINC000020169607 406886256 /nfs/dbraw/zinc/88/62/56/406886256.db2.gz UQOMVTPYCUFTPS-AATRIKPKSA-N 1 2 305.334 1.056 50 5 DDBALO C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000035101447 406967038 /nfs/dbraw/zinc/96/70/38/406967038.db2.gz HSHUJEMNSOOLKD-UHFFFAOYSA-N 1 2 319.770 1.184 50 5 DDBALO Cc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(N)c([N+](=O)[O-])c1 ZINC000176829522 408455534 /nfs/dbraw/zinc/45/55/34/408455534.db2.gz BORPETSOSJKDJL-LLVKDONJSA-N 1 2 317.349 1.748 50 5 DDBALO C[N@@H+]1CCO[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000161972205 408654967 /nfs/dbraw/zinc/65/49/67/408654967.db2.gz XDGSXEWKTMOTOX-HNNXBMFYSA-N 1 2 319.361 1.416 50 5 DDBALO C[N@H+]1CCO[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000161972205 408654971 /nfs/dbraw/zinc/65/49/71/408654971.db2.gz XDGSXEWKTMOTOX-HNNXBMFYSA-N 1 2 319.361 1.416 50 5 DDBALO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCOCC1 ZINC000130806978 196112050 /nfs/dbraw/zinc/11/20/50/196112050.db2.gz CKPMIHXFWQHRRY-UHFFFAOYSA-N 1 2 319.361 1.418 50 5 DDBALO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCOCC1 ZINC000130806978 196112052 /nfs/dbraw/zinc/11/20/52/196112052.db2.gz CKPMIHXFWQHRRY-UHFFFAOYSA-N 1 2 319.361 1.418 50 5 DDBALO Cc1cc2[nH+]cn(C[C@@H](O)Cn3cnc([N+](=O)[O-])n3)c2cc1C ZINC000095438919 407214306 /nfs/dbraw/zinc/21/43/06/407214306.db2.gz MLUSMUQELSDNGL-LLVKDONJSA-N 1 2 316.321 1.214 50 5 DDBALO Cc1[nH+]c2ccccc2n1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000096435681 407265604 /nfs/dbraw/zinc/26/56/04/407265604.db2.gz KVYOSPIDUMUDGQ-GFCCVEGCSA-N 1 2 301.306 1.511 50 5 DDBALO O=C(C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004401870 181107545 /nfs/dbraw/zinc/10/75/45/181107545.db2.gz KVFSHEKCEFPSHC-UHFFFAOYSA-N 1 2 308.294 1.927 50 5 DDBALO Cc1ccc(OCCOCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000020118569 182189441 /nfs/dbraw/zinc/18/94/41/182189441.db2.gz XTWJUQBNGXLPMS-UHFFFAOYSA-N 1 2 310.350 1.631 50 5 DDBALO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000052749844 183870005 /nfs/dbraw/zinc/87/00/05/183870005.db2.gz UPDZRUUDVCMGQJ-LBPRGKRZSA-N 1 2 317.349 1.798 50 5 DDBALO C[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000033081288 406959094 /nfs/dbraw/zinc/95/90/94/406959094.db2.gz CBWGLRNXYAGECH-GFUIURDCSA-N 1 2 319.361 1.445 50 5 DDBALO C[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000097044224 696605100 /nfs/dbraw/zinc/60/51/00/696605100.db2.gz CBWGLRNXYAGECH-SZZPACECSA-N 1 2 319.361 1.445 50 5 DDBALO [NH3+]Cc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000063191051 184277261 /nfs/dbraw/zinc/27/72/61/184277261.db2.gz BAEOFUHZGUELLQ-UHFFFAOYSA-N 1 2 307.331 1.854 50 5 DDBALO O=[N+]([O-])c1cccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000071892937 406862757 /nfs/dbraw/zinc/86/27/57/406862757.db2.gz OPWIZFYLRGCVMQ-AWEZNQCLSA-N 1 2 310.375 1.746 50 5 DDBALO O=[N+]([O-])c1cccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000071892937 406862760 /nfs/dbraw/zinc/86/27/60/406862760.db2.gz OPWIZFYLRGCVMQ-AWEZNQCLSA-N 1 2 310.375 1.746 50 5 DDBALO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035585200 406973417 /nfs/dbraw/zinc/97/34/17/406973417.db2.gz NENONYOEPNGZKL-UHFFFAOYSA-N 1 2 313.379 1.310 50 5 DDBALO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000097097832 290243399 /nfs/dbraw/zinc/24/33/99/290243399.db2.gz DNNGPTGDVPUIIW-RISCZKNCSA-N 1 2 319.361 1.857 50 5 DDBALO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000097097832 290243402 /nfs/dbraw/zinc/24/34/02/290243402.db2.gz DNNGPTGDVPUIIW-RISCZKNCSA-N 1 2 319.361 1.857 50 5 DDBALO C[S@](=O)CC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000076023455 353391592 /nfs/dbraw/zinc/39/15/92/353391592.db2.gz WTGGBJNUPAPJKL-OAQYLSRUSA-N 1 2 315.370 1.234 50 5 DDBALO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000024166474 182375504 /nfs/dbraw/zinc/37/55/04/182375504.db2.gz PVXOUWPCAYZBHR-UHFFFAOYSA-N 1 2 320.349 1.039 50 5 DDBALO O=[N+]([O-])c1c[nH]nc1N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000022239094 182315318 /nfs/dbraw/zinc/31/53/18/182315318.db2.gz FZUROSGPPMCZHH-UHFFFAOYSA-N 1 2 305.313 1.779 50 5 DDBALO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(O)CC1 ZINC000023993142 182371632 /nfs/dbraw/zinc/37/16/32/182371632.db2.gz TYSQXQHWSPIFSZ-SNVBAGLBSA-N 1 2 323.349 1.387 50 5 DDBALO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000192575503 418524848 /nfs/dbraw/zinc/52/48/48/418524848.db2.gz FDAOYEYMQHQFJB-LBPRGKRZSA-N 1 2 309.370 1.395 50 5 DDBALO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000192575503 418524850 /nfs/dbraw/zinc/52/48/50/418524850.db2.gz FDAOYEYMQHQFJB-LBPRGKRZSA-N 1 2 309.370 1.395 50 5 DDBALO O=[N+]([O-])c1ccc(CC[NH+]2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000071907935 406866879 /nfs/dbraw/zinc/86/68/79/406866879.db2.gz FNRHAMBRUGLUQW-KRWDZBQOSA-N 1 2 319.405 1.934 50 5 DDBALO C[N@H+]1C[C@]2([N+](=O)[O-])C[C@@]([N+](=O)[O-])(CC=C2Oc2ccccc2)C1 ZINC000036026105 406975312 /nfs/dbraw/zinc/97/53/12/406975312.db2.gz BEASEFJNKGANKI-LSDHHAIUSA-N 1 2 319.317 1.720 50 5 DDBALO C[N@@H+]1C[C@]2([N+](=O)[O-])C[C@@]([N+](=O)[O-])(CC=C2Oc2ccccc2)C1 ZINC000036026105 406975313 /nfs/dbraw/zinc/97/53/13/406975313.db2.gz BEASEFJNKGANKI-LSDHHAIUSA-N 1 2 319.317 1.720 50 5 DDBALO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000060377998 184147562 /nfs/dbraw/zinc/14/75/62/184147562.db2.gz CELPVZORUULYSG-UHFFFAOYSA-N 1 2 317.349 1.356 50 5 DDBALO Cc1noc(C)c1C[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000029585920 406924791 /nfs/dbraw/zinc/92/47/91/406924791.db2.gz MNFGDHBYDNFQDE-UHFFFAOYSA-N 1 2 320.353 1.255 50 5 DDBALO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1[nH+]ccn1C ZINC000095468487 185372439 /nfs/dbraw/zinc/37/24/39/185372439.db2.gz COJGFIADYDAWJF-LLVKDONJSA-N 1 2 317.349 1.787 50 5 DDBALO Cc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000051379293 352584855 /nfs/dbraw/zinc/58/48/55/352584855.db2.gz HVQVYVQCUDNADK-UHFFFAOYSA-N 1 2 306.366 1.113 50 5 DDBALO C[NH+]1CCN(Cc2cc([N+](=O)[O-])c(O)c3ncccc23)CC1 ZINC000019973425 182172096 /nfs/dbraw/zinc/17/20/96/182172096.db2.gz XINYXKZURGSBSY-UHFFFAOYSA-N 1 2 302.334 1.596 50 5 DDBALO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)N(C)C ZINC000069620471 406745799 /nfs/dbraw/zinc/74/57/99/406745799.db2.gz WEOIRSVQGADJPR-UHFFFAOYSA-N 1 2 309.366 1.902 50 5 DDBALO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)N(C)C ZINC000069620471 406745802 /nfs/dbraw/zinc/74/58/02/406745802.db2.gz WEOIRSVQGADJPR-UHFFFAOYSA-N 1 2 309.366 1.902 50 5 DDBALO C[C@H]([C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000071904626 406865818 /nfs/dbraw/zinc/86/58/18/406865818.db2.gz PTIQEWRVLCBOEO-WDEREUQCSA-N 1 2 300.380 1.848 50 5 DDBALO C[C@H]([C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000071904626 406865819 /nfs/dbraw/zinc/86/58/19/406865819.db2.gz PTIQEWRVLCBOEO-WDEREUQCSA-N 1 2 300.380 1.848 50 5 DDBALO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000095959999 407217507 /nfs/dbraw/zinc/21/75/07/407217507.db2.gz UBKOMJHZGMHGMB-KBPBESRZSA-N 1 2 308.334 1.400 50 5 DDBALO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000095959999 407217510 /nfs/dbraw/zinc/21/75/10/407217510.db2.gz UBKOMJHZGMHGMB-KBPBESRZSA-N 1 2 308.334 1.400 50 5 DDBALO Cc1ccc(C)c(S(=O)(=O)NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000195579886 407470895 /nfs/dbraw/zinc/47/08/95/407470895.db2.gz OXUNMLNEDPMBJP-UHFFFAOYSA-N 1 2 324.362 1.387 50 5 DDBALO Cc1noc(C)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000032911799 293930656 /nfs/dbraw/zinc/93/06/56/293930656.db2.gz HHXDKYGZDNFWSN-UHFFFAOYSA-N 1 2 317.349 1.917 50 5 DDBALO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000085945452 407107479 /nfs/dbraw/zinc/10/74/79/407107479.db2.gz ZHCOFONAQTYSHS-UHFFFAOYSA-N 1 2 315.333 1.276 50 5 DDBALO Cc1cc(N[C@H]2CNC(=O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000095997035 407222519 /nfs/dbraw/zinc/22/25/19/407222519.db2.gz RSODGMASKTVWEC-LLVKDONJSA-N 1 2 313.317 1.661 50 5 DDBALO Cc1nn(C)c(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000096424093 407264065 /nfs/dbraw/zinc/26/40/65/407264065.db2.gz YDMVZIWJPWRKOJ-SECBINFHSA-N 1 2 324.410 1.250 50 5 DDBALO COc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000047931505 407084508 /nfs/dbraw/zinc/08/45/08/407084508.db2.gz FESKEMGXOZAFPA-SNVBAGLBSA-N 1 2 304.306 1.618 50 5 DDBALO CN1CC[NH+](C[C@H]2CN(c3ccccc3[N+](=O)[O-])CCO2)CC1 ZINC000095351535 407207914 /nfs/dbraw/zinc/20/79/14/407207914.db2.gz GTBLNUSVJKGJLP-AWEZNQCLSA-N 1 2 320.393 1.047 50 5 DDBALO CNc1ccc(C[N@@H+]2CC[C@@](F)(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000093887645 193324304 /nfs/dbraw/zinc/32/43/04/193324304.db2.gz DLHBNENJGGSSGY-AWEZNQCLSA-N 1 2 311.313 1.724 50 5 DDBALO CNc1ccc(C[N@H+]2CC[C@@](F)(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000093887645 193324306 /nfs/dbraw/zinc/32/43/06/193324306.db2.gz DLHBNENJGGSSGY-AWEZNQCLSA-N 1 2 311.313 1.724 50 5 DDBALO Cc1nc[nH]c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005081151 406733891 /nfs/dbraw/zinc/73/38/91/406733891.db2.gz VHCOUMZVASWIQQ-UHFFFAOYSA-N 1 2 301.350 1.949 50 5 DDBALO COC(=O)c1ccc(C[N@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000058343142 407220704 /nfs/dbraw/zinc/22/07/04/407220704.db2.gz MYOAOSXVAHHDQM-UHFFFAOYSA-N 1 2 304.306 1.667 50 5 DDBALO COC(=O)c1ccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000058343142 407220706 /nfs/dbraw/zinc/22/07/06/407220706.db2.gz MYOAOSXVAHHDQM-UHFFFAOYSA-N 1 2 304.306 1.667 50 5 DDBALO CC(C)(CNc1nc2ccccn2c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000024340209 182378747 /nfs/dbraw/zinc/37/87/47/182378747.db2.gz SXQJALPMGVRWMN-UHFFFAOYSA-N 1 2 319.365 1.765 50 5 DDBALO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000044917263 418432602 /nfs/dbraw/zinc/43/26/02/418432602.db2.gz VYSUCQHQYSXYDC-LLVKDONJSA-N 1 2 317.349 1.676 50 5 DDBALO O=[N+]([O-])c1cc(C[NH2+]CCCNc2ncccn2)ccc1O ZINC000083474430 483982531 /nfs/dbraw/zinc/98/25/31/483982531.db2.gz ZOQHHAGCCMSBMR-UHFFFAOYSA-N 1 2 303.322 1.682 50 5 DDBALO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000084374368 483995960 /nfs/dbraw/zinc/99/59/60/483995960.db2.gz NRJWMKJXYJEZJA-KBPBESRZSA-N 1 2 321.402 1.839 50 5 DDBALO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047638449 407078348 /nfs/dbraw/zinc/07/83/48/407078348.db2.gz KLRMITJZOLXIFO-GARJFASQSA-N 1 2 311.338 1.415 50 5 DDBALO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047638449 407078350 /nfs/dbraw/zinc/07/83/50/407078350.db2.gz KLRMITJZOLXIFO-GARJFASQSA-N 1 2 311.338 1.415 50 5 DDBALO CCOC(=O)[C@@H]([NH3+])Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000034424612 696127969 /nfs/dbraw/zinc/12/79/69/696127969.db2.gz POQSUGPFFCSANW-VIFPVBQESA-N 1 2 317.139 1.790 50 5 DDBALO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000952883597 775644546 /nfs/dbraw/zinc/64/45/46/775644546.db2.gz VKTOXAKIYXDBPI-VIFPVBQESA-N 1 2 324.728 1.136 50 5 DDBALO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000952883597 775644550 /nfs/dbraw/zinc/64/45/50/775644550.db2.gz VKTOXAKIYXDBPI-VIFPVBQESA-N 1 2 324.728 1.136 50 5 DDBALO O=C(CNc1ccccc1[N+](=O)[O-])NCCCCn1cc[nH+]c1 ZINC000079050381 185149414 /nfs/dbraw/zinc/14/94/14/185149414.db2.gz GLCLQFPTOGIJGS-UHFFFAOYSA-N 1 2 317.349 1.800 50 5 DDBALO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1[nH+]ccn1C ZINC000095468486 185372419 /nfs/dbraw/zinc/37/24/19/185372419.db2.gz COJGFIADYDAWJF-NSHDSACASA-N 1 2 317.349 1.787 50 5 DDBALO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000069563314 406734398 /nfs/dbraw/zinc/73/43/98/406734398.db2.gz YNRHXDXXQQPDQD-CYBMUJFWSA-N 1 2 307.350 1.832 50 5 DDBALO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000069563314 406734401 /nfs/dbraw/zinc/73/44/01/406734401.db2.gz YNRHXDXXQQPDQD-CYBMUJFWSA-N 1 2 307.350 1.832 50 5 DDBALO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCc2c[nH+]cn2C1 ZINC000239782413 407904294 /nfs/dbraw/zinc/90/42/94/407904294.db2.gz COHUXYHVTYYZFR-LBPRGKRZSA-N 1 2 300.318 1.670 50 5 DDBALO C[N@@H+]1C[C@@]2([N+](=O)[O-])CC=C(Oc3ccccc3)[C@@]([N+](=O)[O-])(C1)C2 ZINC000019831204 182154052 /nfs/dbraw/zinc/15/40/52/182154052.db2.gz BEASEFJNKGANKI-CABCVRRESA-N 1 2 319.317 1.720 50 5 DDBALO C[N@H+]1C[C@@]2([N+](=O)[O-])CC=C(Oc3ccccc3)[C@@]([N+](=O)[O-])(C1)C2 ZINC000019831204 182154054 /nfs/dbraw/zinc/15/40/54/182154054.db2.gz BEASEFJNKGANKI-CABCVRRESA-N 1 2 319.317 1.720 50 5 DDBALO O=[N+]([O-])c1ccc(N2CCCC2)cc1NCC[NH+]1CCOCC1 ZINC000019849688 182157519 /nfs/dbraw/zinc/15/75/19/182157519.db2.gz FJMJCPLTLOJKMA-UHFFFAOYSA-N 1 2 320.393 1.939 50 5 DDBALO Cc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000069897010 406788748 /nfs/dbraw/zinc/78/87/48/406788748.db2.gz LRUFIUVFTWMKNN-OLZOCXBDSA-N 1 2 321.377 1.742 50 5 DDBALO Cc1cccc(C(=O)NC[C@@H](C)[N@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000069897010 406788751 /nfs/dbraw/zinc/78/87/51/406788751.db2.gz LRUFIUVFTWMKNN-OLZOCXBDSA-N 1 2 321.377 1.742 50 5 DDBALO NC(=O)c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000230126991 407681686 /nfs/dbraw/zinc/68/16/86/407681686.db2.gz UVJJWFVDQPOOHX-HIFRSBDPSA-N 1 2 319.361 1.837 50 5 DDBALO NC(=O)c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000230126991 407681689 /nfs/dbraw/zinc/68/16/89/407681689.db2.gz UVJJWFVDQPOOHX-HIFRSBDPSA-N 1 2 319.361 1.837 50 5 DDBALO Cc1ccnc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000078400570 292773340 /nfs/dbraw/zinc/77/33/40/292773340.db2.gz VESWPHCUUSIDGY-LLVKDONJSA-N 1 2 321.406 1.912 50 5 DDBALO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000084374370 483995301 /nfs/dbraw/zinc/99/53/01/483995301.db2.gz NRJWMKJXYJEZJA-UONOGXRCSA-N 1 2 321.402 1.839 50 5 DDBALO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000095959998 407218085 /nfs/dbraw/zinc/21/80/85/407218085.db2.gz UBKOMJHZGMHGMB-KGLIPLIRSA-N 1 2 308.334 1.400 50 5 DDBALO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000095959998 407218086 /nfs/dbraw/zinc/21/80/86/407218086.db2.gz UBKOMJHZGMHGMB-KGLIPLIRSA-N 1 2 308.334 1.400 50 5 DDBALO COc1cc(CN(C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1O ZINC000004990265 181185910 /nfs/dbraw/zinc/18/59/10/181185910.db2.gz RAIIHCXFECYHNN-UHFFFAOYSA-N 1 2 309.366 1.835 50 5 DDBALO COc1cc(C(=O)NCCn2cc[nH+]c2)cc([N+](=O)[O-])c1C ZINC000188655353 200282772 /nfs/dbraw/zinc/28/27/72/200282772.db2.gz ZUJSCGJGAPYGAV-UHFFFAOYSA-N 1 2 304.306 1.538 50 5 DDBALO C[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000020272625 182202444 /nfs/dbraw/zinc/20/24/44/182202444.db2.gz RCIHSUJVBOIIDR-LBPRGKRZSA-N 1 2 307.350 1.147 50 5 DDBALO CC[N@H+](CC(=O)NC(=O)NC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000030967489 406936019 /nfs/dbraw/zinc/93/60/19/406936019.db2.gz PFEIAWATABRQMA-UHFFFAOYSA-N 1 2 320.349 1.405 50 5 DDBALO CC[N@@H+](CC(=O)NC(=O)NC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000030967489 406936022 /nfs/dbraw/zinc/93/60/22/406936022.db2.gz PFEIAWATABRQMA-UHFFFAOYSA-N 1 2 320.349 1.405 50 5 DDBALO Cc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c(N)c([N+](=O)[O-])c1 ZINC000176829532 408454135 /nfs/dbraw/zinc/45/41/35/408454135.db2.gz BORPETSOSJKDJL-NSHDSACASA-N 1 2 317.349 1.748 50 5 DDBALO CCC(=O)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000095432613 185363932 /nfs/dbraw/zinc/36/39/32/185363932.db2.gz IYBULQINXGCBRL-CQSZACIVSA-N 1 2 307.350 1.182 50 5 DDBALO C/C(=[NH+]\NC(=O)C1=CC[C@@H]([N+](=O)[O-])C=C1)c1ccc(N)cc1 ZINC000004947951 406728369 /nfs/dbraw/zinc/72/83/69/406728369.db2.gz JHKRPAURHADAPZ-FBJMNJBLSA-N 1 2 300.318 1.641 50 5 DDBALO O=C1OCC[C@@H]1[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000089773161 407147741 /nfs/dbraw/zinc/14/77/41/407147741.db2.gz DFIQQVBRNDJBBF-AWEZNQCLSA-N 1 2 323.324 1.926 50 5 DDBALO O=[N+]([O-])c1cccnc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000032779289 406953829 /nfs/dbraw/zinc/95/38/29/406953829.db2.gz GFQRGTIBLCHSIP-UHFFFAOYSA-N 1 2 315.333 1.834 50 5 DDBALO CC(C)(CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000033026750 406958479 /nfs/dbraw/zinc/95/84/79/406958479.db2.gz ZBCBEJIUIINWTD-UHFFFAOYSA-N 1 2 321.377 1.364 50 5 DDBALO Cc1nn(C)c(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000096424092 407264432 /nfs/dbraw/zinc/26/44/32/407264432.db2.gz YDMVZIWJPWRKOJ-VIFPVBQESA-N 1 2 324.410 1.250 50 5 DDBALO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000252477522 408795712 /nfs/dbraw/zinc/79/57/12/408795712.db2.gz PVHDRJFKGMYCEI-YUSALJHKSA-N 1 2 309.391 1.276 50 5 DDBALO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000252477522 408795715 /nfs/dbraw/zinc/79/57/15/408795715.db2.gz PVHDRJFKGMYCEI-YUSALJHKSA-N 1 2 309.391 1.276 50 5 DDBALO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000170599185 288310167 /nfs/dbraw/zinc/31/01/67/288310167.db2.gz XWYDDLVIRDDWFG-WCQYABFASA-N 1 2 319.361 1.999 50 5 DDBALO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000170599185 288310170 /nfs/dbraw/zinc/31/01/70/288310170.db2.gz XWYDDLVIRDDWFG-WCQYABFASA-N 1 2 319.361 1.999 50 5 DDBALO CN(C[C@@H]1C[N@H+](C)CCO1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599040423 357800275 /nfs/dbraw/zinc/80/02/75/357800275.db2.gz OVJCRINPJZCBGJ-ZDUSSCGKSA-N 1 2 316.361 1.910 50 5 DDBALO CN(C[C@@H]1C[N@@H+](C)CCO1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599040423 357800280 /nfs/dbraw/zinc/80/02/80/357800280.db2.gz OVJCRINPJZCBGJ-ZDUSSCGKSA-N 1 2 316.361 1.910 50 5 DDBALO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1cccc([N+](=O)[O-])c1 ZINC000017055675 182072601 /nfs/dbraw/zinc/07/26/01/182072601.db2.gz OKSHDQFWACWVJR-UHFFFAOYSA-N 1 2 321.333 1.372 50 5 DDBALO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC000005594855 406736606 /nfs/dbraw/zinc/73/66/06/406736606.db2.gz NNUAGAZLTMCWDO-UHFFFAOYSA-N 1 2 310.335 1.160 50 5 DDBALO O=C1CCC(=O)N1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606382 185260089 /nfs/dbraw/zinc/26/00/89/185260089.db2.gz DIGCZFWESYYHOR-UHFFFAOYSA-N 1 2 303.318 1.102 50 5 DDBALO O=C1CCC(=O)N1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606382 185260090 /nfs/dbraw/zinc/26/00/90/185260090.db2.gz DIGCZFWESYYHOR-UHFFFAOYSA-N 1 2 303.318 1.102 50 5 DDBALO CC(C)N1C(=O)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000095963086 407217897 /nfs/dbraw/zinc/21/78/97/407217897.db2.gz MCLWDMUXNCULPB-UHFFFAOYSA-N 1 2 309.370 1.123 50 5 DDBALO CC(C)N1C(=O)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000095963086 407217899 /nfs/dbraw/zinc/21/78/99/407217899.db2.gz MCLWDMUXNCULPB-UHFFFAOYSA-N 1 2 309.370 1.123 50 5 DDBALO Cc1cccn2cc(CCNc3ncc([N+](=O)[O-])c(N)n3)[nH+]c12 ZINC000075091865 353346493 /nfs/dbraw/zinc/34/64/93/353346493.db2.gz CAMVRWLGVLAIEX-UHFFFAOYSA-N 1 2 313.321 1.578 50 5 DDBALO CNc1ccc(C[N@@H+]2CC[C@](F)(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000093887644 193324203 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1.550 50 5 DDBALO CC(C)(CNc1ccccc1[N+](=O)[O-])[NH+]1CCS(=O)CC1 ZINC000071920588 406867535 /nfs/dbraw/zinc/86/75/35/406867535.db2.gz MRAOWOCXVUFZHQ-UHFFFAOYSA-N 1 2 311.407 1.850 50 5 DDBALO COC(=O)c1cc(F)c(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000071920626 406868104 /nfs/dbraw/zinc/86/81/04/406868104.db2.gz UTSRFSBZUSBGGN-UHFFFAOYSA-N 1 2 323.324 1.805 50 5 DDBALO CCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000036329926 406979113 /nfs/dbraw/zinc/97/91/13/406979113.db2.gz WYJZSKJPZCQMFO-UHFFFAOYSA-N 1 2 313.379 1.311 50 5 DDBALO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCn1cc[nH+]c1 ZINC000170604889 407452487 /nfs/dbraw/zinc/45/24/87/407452487.db2.gz QBRQDATUNFHELY-UHFFFAOYSA-N 1 2 310.335 1.307 50 5 DDBALO CC(=O)N[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000048274224 418468684 /nfs/dbraw/zinc/46/86/84/418468684.db2.gz SAEUZKBTBNTWAW-ZDUSSCGKSA-N 1 2 317.349 1.503 50 5 DDBALO CC(=O)N[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000048274224 418468686 /nfs/dbraw/zinc/46/86/86/418468686.db2.gz SAEUZKBTBNTWAW-ZDUSSCGKSA-N 1 2 317.349 1.503 50 5 DDBALO CC(C)c1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000091864815 278035985 /nfs/dbraw/zinc/03/59/85/278035985.db2.gz XIRNKGUHHWSEOB-CYBMUJFWSA-N 1 2 318.377 1.928 50 5 DDBALO CC(C)c1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000091864815 278035987 /nfs/dbraw/zinc/03/59/87/278035987.db2.gz XIRNKGUHHWSEOB-CYBMUJFWSA-N 1 2 318.377 1.928 50 5 DDBALO CCc1nnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000072664962 191211800 /nfs/dbraw/zinc/21/18/00/191211800.db2.gz QDLCJWJOOVIMSB-JTQLQIEISA-N 1 2 318.337 1.622 50 5 DDBALO CCc1nnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000072664962 191211803 /nfs/dbraw/zinc/21/18/03/191211803.db2.gz QDLCJWJOOVIMSB-JTQLQIEISA-N 1 2 318.337 1.622 50 5 DDBALO Cn1c[nH+]cc1CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000097098148 353916975 /nfs/dbraw/zinc/91/69/75/353916975.db2.gz LYCCKAAAJMBDNA-UHFFFAOYSA-N 1 2 308.725 1.954 50 5 DDBALO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)nc1 ZINC000097378004 353919396 /nfs/dbraw/zinc/91/93/96/353919396.db2.gz NTQCANGYZPLSTI-SNVBAGLBSA-N 1 2 320.271 1.035 50 5 DDBALO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000195572794 354297902 /nfs/dbraw/zinc/29/79/02/354297902.db2.gz IUAYADCWYWPFSO-JTQLQIEISA-N 1 2 318.782 1.867 50 5 DDBALO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000195572794 354297904 /nfs/dbraw/zinc/29/79/04/354297904.db2.gz IUAYADCWYWPFSO-JTQLQIEISA-N 1 2 318.782 1.867 50 5 DDBALO O=C(Cn1cc[nH+]c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000010809843 406824189 /nfs/dbraw/zinc/82/41/89/406824189.db2.gz FRJBLMXZPMNHNU-UHFFFAOYSA-N 1 2 315.333 1.140 50 5 DDBALO CC[N@H+](CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000096794935 185388446 /nfs/dbraw/zinc/38/84/46/185388446.db2.gz MGMBLEVPRQHANI-AWEZNQCLSA-N 1 2 321.377 1.712 50 5 DDBALO CC[N@@H+](CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000096794935 185388447 /nfs/dbraw/zinc/38/84/47/185388447.db2.gz MGMBLEVPRQHANI-AWEZNQCLSA-N 1 2 321.377 1.712 50 5 DDBALO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347074 406905063 /nfs/dbraw/zinc/90/50/63/406905063.db2.gz INQWIBUHBJTPON-JTQLQIEISA-N 1 2 308.338 1.261 50 5 DDBALO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347074 406905066 /nfs/dbraw/zinc/90/50/66/406905066.db2.gz INQWIBUHBJTPON-JTQLQIEISA-N 1 2 308.338 1.261 50 5 DDBALO C[N@@H+]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000091028888 407174829 /nfs/dbraw/zinc/17/48/29/407174829.db2.gz JHJVDQQBZFZELM-UHFFFAOYSA-N 1 2 317.342 1.060 50 5 DDBALO C[N@H+]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000091028888 407174831 /nfs/dbraw/zinc/17/48/31/407174831.db2.gz JHJVDQQBZFZELM-UHFFFAOYSA-N 1 2 317.342 1.060 50 5 DDBALO C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000069394256 406704637 /nfs/dbraw/zinc/70/46/37/406704637.db2.gz TWFXORHIOLTYER-NSHDSACASA-N 1 2 315.333 1.844 50 5 DDBALO C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000069394256 406704640 /nfs/dbraw/zinc/70/46/40/406704640.db2.gz TWFXORHIOLTYER-NSHDSACASA-N 1 2 315.333 1.844 50 5 DDBALO CCS(=O)(=O)CCn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000174741999 198378964 /nfs/dbraw/zinc/37/89/64/198378964.db2.gz NGIPEKCEAYQKBD-UHFFFAOYSA-N 1 2 309.347 1.893 50 5 DDBALO O=C(NCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000019606597 182132684 /nfs/dbraw/zinc/13/26/84/182132684.db2.gz SSUMCCGGAKFUGT-UHFFFAOYSA-N 1 2 313.741 1.310 50 5 DDBALO CS(=O)(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000024921424 182394430 /nfs/dbraw/zinc/39/44/30/182394430.db2.gz JELAHRRCBVMRII-UHFFFAOYSA-N 1 2 313.379 1.062 50 5 DDBALO CS(=O)(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000024921424 182394431 /nfs/dbraw/zinc/39/44/31/182394431.db2.gz JELAHRRCBVMRII-UHFFFAOYSA-N 1 2 313.379 1.062 50 5 DDBALO CCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057891889 134785196 /nfs/dbraw/zinc/78/51/96/134785196.db2.gz LOTZAJOPRLYHRO-ZDUSSCGKSA-N 1 2 320.393 1.632 50 5 DDBALO C[NH+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000023242941 406892055 /nfs/dbraw/zinc/89/20/55/406892055.db2.gz IGGZNXSPNYPHFQ-UHFFFAOYSA-N 1 2 318.377 1.583 50 5 DDBALO CC[N@H+](CC(=O)NC[C@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000030967550 406936536 /nfs/dbraw/zinc/93/65/36/406936536.db2.gz CPHAWGAQTJCYCL-OAHLLOKOSA-N 1 2 321.377 1.712 50 5 DDBALO CC[N@@H+](CC(=O)NC[C@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000030967550 406936537 /nfs/dbraw/zinc/93/65/37/406936537.db2.gz CPHAWGAQTJCYCL-OAHLLOKOSA-N 1 2 321.377 1.712 50 5 DDBALO Cn1cc[nH+]c1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000095976059 407219270 /nfs/dbraw/zinc/21/92/70/407219270.db2.gz MNCCCDWRCWVWBM-UHFFFAOYSA-N 1 2 303.322 1.370 50 5 DDBALO CC[N@H+](CC(=O)N[C@@H](C)COC)Cc1cccc([N+](=O)[O-])c1 ZINC000048041062 418463985 /nfs/dbraw/zinc/46/39/85/418463985.db2.gz LUHIAIKBOLRSNH-LBPRGKRZSA-N 1 2 309.366 1.568 50 5 DDBALO CC[N@@H+](CC(=O)N[C@@H](C)COC)Cc1cccc([N+](=O)[O-])c1 ZINC000048041062 418463989 /nfs/dbraw/zinc/46/39/89/418463989.db2.gz LUHIAIKBOLRSNH-LBPRGKRZSA-N 1 2 309.366 1.568 50 5 DDBALO CC(C)(C)NS(=O)(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000020666755 182241968 /nfs/dbraw/zinc/24/19/68/182241968.db2.gz WEOFSJXYVSYEGA-UHFFFAOYSA-N 1 2 324.362 1.857 50 5 DDBALO CC[N@@H+]1CCC[C@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000069413794 406704705 /nfs/dbraw/zinc/70/47/05/406704705.db2.gz APGICYBANSHEPF-NSHDSACASA-N 1 2 317.349 1.685 50 5 DDBALO CC[N@H+]1CCC[C@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000069413794 406704712 /nfs/dbraw/zinc/70/47/12/406704712.db2.gz APGICYBANSHEPF-NSHDSACASA-N 1 2 317.349 1.685 50 5 DDBALO Cc1nn(C)c(Sc2nnc(C[NH+]3CCCC3)o2)c1[N+](=O)[O-] ZINC000095959764 407217714 /nfs/dbraw/zinc/21/77/14/407217714.db2.gz HORKXQMOUDFJGT-UHFFFAOYSA-N 1 2 324.366 1.767 50 5 DDBALO Cc1cnc(N2CCC[C@@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000160414714 302349382 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321.377 1.742 50 5 DDBALO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026483094 406904752 /nfs/dbraw/zinc/90/47/52/406904752.db2.gz FDXLJQUHDZIWMU-UHFFFAOYSA-N 1 2 317.349 1.917 50 5 DDBALO O=[N+]([O-])c1ccc2sc(OCC[NH+]3CCOCC3)nc2c1 ZINC000085554832 407103509 /nfs/dbraw/zinc/10/35/09/407103509.db2.gz YMHSWXMKXILFLJ-UHFFFAOYSA-N 1 2 309.347 1.916 50 5 DDBALO CN1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000222149451 407554092 /nfs/dbraw/zinc/55/40/92/407554092.db2.gz AYXFBAVAPSXAEY-OAHLLOKOSA-N 1 2 315.377 1.780 50 5 DDBALO CN1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000222149451 407554097 /nfs/dbraw/zinc/55/40/97/407554097.db2.gz AYXFBAVAPSXAEY-OAHLLOKOSA-N 1 2 315.377 1.780 50 5 DDBALO CCc1noc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000095432615 185363866 /nfs/dbraw/zinc/36/38/66/185363866.db2.gz YHDTVXDKVFPALP-GFCCVEGCSA-N 1 2 306.322 1.706 50 5 DDBALO CCc1noc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000095432615 185363867 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COC(=O)C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000241231188 407909343 /nfs/dbraw/zinc/90/93/43/407909343.db2.gz KSWNAWROMRAKCC-NSHDSACASA-N 1 2 308.338 1.287 50 5 DDBALO O=[N+]([O-])c1c(Cl)ncnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000040448192 280353802 /nfs/dbraw/zinc/35/38/02/280353802.db2.gz CNRDHYAHQFPAHY-UHFFFAOYSA-N 1 2 320.740 1.760 50 5 DDBALO CCc1noc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000095432614 185363934 /nfs/dbraw/zinc/36/39/34/185363934.db2.gz YHDTVXDKVFPALP-LBPRGKRZSA-N 1 2 306.322 1.706 50 5 DDBALO CCc1noc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000095432614 185363935 /nfs/dbraw/zinc/36/39/35/185363935.db2.gz YHDTVXDKVFPALP-LBPRGKRZSA-N 1 2 306.322 1.706 50 5 DDBALO CC[N@H+](CC(=O)N[C@@H](C)COC)Cc1ccccc1[N+](=O)[O-] ZINC000040087775 183032975 /nfs/dbraw/zinc/03/29/75/183032975.db2.gz SQRLNSDYNURVKU-LBPRGKRZSA-N 1 2 309.366 1.568 50 5 DDBALO CC[N@@H+](CC(=O)N[C@@H](C)COC)Cc1ccccc1[N+](=O)[O-] ZINC000040087775 183032976 /nfs/dbraw/zinc/03/29/76/183032976.db2.gz SQRLNSDYNURVKU-LBPRGKRZSA-N 1 2 309.366 1.568 50 5 DDBALO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000051535321 407141009 /nfs/dbraw/zinc/14/10/09/407141009.db2.gz YGUYAABUOOKUNU-LLVKDONJSA-N 1 2 314.363 1.093 50 5 DDBALO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000051535321 407141012 /nfs/dbraw/zinc/14/10/12/407141012.db2.gz YGUYAABUOOKUNU-LLVKDONJSA-N 1 2 314.363 1.093 50 5 DDBALO Cc1ccnc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000078400563 407027685 /nfs/dbraw/zinc/02/76/85/407027685.db2.gz VESWPHCUUSIDGY-NSHDSACASA-N 1 2 321.406 1.912 50 5 DDBALO CC(C)Cn1ncnc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000097373842 407292059 /nfs/dbraw/zinc/29/20/59/407292059.db2.gz NATSKWWFAQQRRB-UHFFFAOYSA-N 1 2 316.365 1.796 50 5 DDBALO CC(C)Cn1ncnc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000097373842 407292061 /nfs/dbraw/zinc/29/20/61/407292061.db2.gz NATSKWWFAQQRRB-UHFFFAOYSA-N 1 2 316.365 1.796 50 5 DDBALO CN1CC[NH+](C[C@@H]2CN(c3ccccc3[N+](=O)[O-])CCO2)CC1 ZINC000095351534 407208209 /nfs/dbraw/zinc/20/82/09/407208209.db2.gz GTBLNUSVJKGJLP-CQSZACIVSA-N 1 2 320.393 1.047 50 5 DDBALO Cc1cccc(N(C)C[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000225459550 407587696 /nfs/dbraw/zinc/58/76/96/407587696.db2.gz IXWVVBNAUPYWPB-ZDUSSCGKSA-N 1 2 309.366 1.033 50 5 DDBALO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1 ZINC000018053638 295210709 /nfs/dbraw/zinc/21/07/09/295210709.db2.gz GIANUNRALKBLRR-CYBMUJFWSA-N 1 2 324.300 1.746 50 5 DDBALO O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000065494987 184355051 /nfs/dbraw/zinc/35/50/51/184355051.db2.gz BBYFDUVVQYOHIN-OCCSQVGLSA-N 1 2 321.402 1.839 50 5 DDBALO CCNC(=O)NC(=O)C[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000030967512 406935980 /nfs/dbraw/zinc/93/59/80/406935980.db2.gz BHMDVHCSGUNPRU-UHFFFAOYSA-N 1 2 308.338 1.262 50 5 DDBALO CCNC(=O)NC(=O)C[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000030967512 406935983 /nfs/dbraw/zinc/93/59/83/406935983.db2.gz BHMDVHCSGUNPRU-UHFFFAOYSA-N 1 2 308.338 1.262 50 5 DDBALO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCCn1cc[nH+]c1 ZINC000017024903 182068410 /nfs/dbraw/zinc/06/84/10/182068410.db2.gz GWIYHTXPSJVBGN-UHFFFAOYSA-N 1 2 300.274 1.478 50 5 DDBALO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000017055672 182072665 /nfs/dbraw/zinc/07/26/65/182072665.db2.gz NTNWZTYPYXKNLL-UHFFFAOYSA-N 1 2 321.333 1.372 50 5 DDBALO Cc1c(C(=O)N2CC[NH+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000025557558 406899034 /nfs/dbraw/zinc/89/90/34/406899034.db2.gz ZCMULSUDPFTYKP-UHFFFAOYSA-N 1 2 308.294 1.199 50 5 DDBALO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000035623029 406974783 /nfs/dbraw/zinc/97/47/83/406974783.db2.gz WDMJWPRJWXURAL-UHFFFAOYSA-N 1 2 319.770 1.184 50 5 DDBALO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000097108515 407280055 /nfs/dbraw/zinc/28/00/55/407280055.db2.gz HYDXFXPLHKLRBE-UHFFFAOYSA-N 1 2 300.322 1.102 50 5 DDBALO O=C1OCC[C@H]1[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000089773160 407147868 /nfs/dbraw/zinc/14/78/68/407147868.db2.gz DFIQQVBRNDJBBF-CQSZACIVSA-N 1 2 323.324 1.926 50 5 DDBALO Cc1ccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000006509563 181347878 /nfs/dbraw/zinc/34/78/78/181347878.db2.gz CGOJWYBVOKVJQT-UHFFFAOYSA-N 1 2 320.349 1.039 50 5 DDBALO O=[N+]([O-])c1ccc(NCC[NH+]2CCOCC2)c2ccncc21 ZINC000023508490 182362340 /nfs/dbraw/zinc/36/23/40/182362340.db2.gz HESGBGRGTFKXOQ-UHFFFAOYSA-N 1 2 302.334 1.887 50 5 DDBALO O=[N+]([O-])c1ccc(N2CC[NH+](CN3CCOC3=S)CC2)cc1 ZINC000012645510 406849942 /nfs/dbraw/zinc/84/99/42/406849942.db2.gz BCTAWGXMFWSVKA-UHFFFAOYSA-N 1 2 322.390 1.291 50 5 DDBALO Cc1cc2[nH+]cn(C[C@H](O)Cn3cnc([N+](=O)[O-])n3)c2cc1C ZINC000095438918 407214632 /nfs/dbraw/zinc/21/46/32/407214632.db2.gz MLUSMUQELSDNGL-NSHDSACASA-N 1 2 316.321 1.214 50 5 DDBALO Cc1cccc(C(=O)NC[C@H](C)[N@@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000247989254 408525523 /nfs/dbraw/zinc/52/55/23/408525523.db2.gz LRUFIUVFTWMKNN-QWHCGFSZSA-N 1 2 321.377 1.742 50 5 DDBALO Cc1cccc(C(=O)NC[C@H](C)[N@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000247989254 408525527 /nfs/dbraw/zinc/52/55/27/408525527.db2.gz LRUFIUVFTWMKNN-QWHCGFSZSA-N 1 2 321.377 1.742 50 5 DDBALO CC(=O)N[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000048274221 418468693 /nfs/dbraw/zinc/46/86/93/418468693.db2.gz SAEUZKBTBNTWAW-CYBMUJFWSA-N 1 2 317.349 1.503 50 5 DDBALO CC(=O)N[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000048274221 418468696 /nfs/dbraw/zinc/46/86/96/418468696.db2.gz SAEUZKBTBNTWAW-CYBMUJFWSA-N 1 2 317.349 1.503 50 5 DDBALO C[NH+]1CCN(C(=O)CSc2ccsc2[N+](=O)[O-])CC1 ZINC000020379537 182212926 /nfs/dbraw/zinc/21/29/26/182212926.db2.gz WHGSTPPNLRPGID-UHFFFAOYSA-N 1 2 301.393 1.522 50 5 DDBALO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018179253 406885472 /nfs/dbraw/zinc/88/54/72/406885472.db2.gz LPYWTQNGNCHYHB-UHFFFAOYSA-N 1 2 312.329 1.952 50 5 DDBALO Cc1cc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000029728419 406927266 /nfs/dbraw/zinc/92/72/66/406927266.db2.gz XBVAPGZRQQHFCL-CQSZACIVSA-N 1 2 321.333 1.763 50 5 DDBALO Cc1cc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000029728419 406927270 /nfs/dbraw/zinc/92/72/70/406927270.db2.gz XBVAPGZRQQHFCL-CQSZACIVSA-N 1 2 321.333 1.763 50 5 DDBALO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040497165 407003348 /nfs/dbraw/zinc/00/33/48/407003348.db2.gz KRNWDUUHCSULQU-GFCCVEGCSA-N 1 2 321.381 1.027 50 5 DDBALO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCCn1cc[nH+]c1 ZINC000097114287 407281446 /nfs/dbraw/zinc/28/14/46/407281446.db2.gz SSYREWBXXBEPQM-UHFFFAOYSA-N 1 2 315.289 1.698 50 5 DDBALO O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000065494992 184354675 /nfs/dbraw/zinc/35/46/75/184354675.db2.gz BBYFDUVVQYOHIN-JSGCOSHPSA-N 1 2 321.402 1.839 50 5 DDBALO CC[N@H+](CC(=O)NC[C@@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000030967548 406936264 /nfs/dbraw/zinc/93/62/64/406936264.db2.gz CPHAWGAQTJCYCL-HNNXBMFYSA-N 1 2 321.377 1.712 50 5 DDBALO CC[N@@H+](CC(=O)NC[C@@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000030967548 406936267 /nfs/dbraw/zinc/93/62/67/406936267.db2.gz CPHAWGAQTJCYCL-HNNXBMFYSA-N 1 2 321.377 1.712 50 5 DDBALO C[C@H](Cn1cc[nH+]c1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000052749845 407156823 /nfs/dbraw/zinc/15/68/23/407156823.db2.gz UPDZRUUDVCMGQJ-GFCCVEGCSA-N 1 2 317.349 1.798 50 5 DDBALO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)S1 ZINC000084715286 483999604 /nfs/dbraw/zinc/99/96/04/483999604.db2.gz FRGAUQGIEIHKEA-SNVBAGLBSA-N 1 2 307.379 1.603 50 5 DDBALO Cc1ccc([N+](=O)[O-])c(OCCOCC[NH+]2CCOCC2)c1 ZINC000020652840 182241824 /nfs/dbraw/zinc/24/18/24/182241824.db2.gz CTCBAMHUQNKODE-UHFFFAOYSA-N 1 2 310.350 1.631 50 5 DDBALO CCNC(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000071892856 406862751 /nfs/dbraw/zinc/86/27/51/406862751.db2.gz SDFQZFPYVZBCOF-UHFFFAOYSA-N 1 2 306.366 1.750 50 5 DDBALO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N1 ZINC000018053636 303360591 /nfs/dbraw/zinc/36/05/91/303360591.db2.gz GIANUNRALKBLRR-ZDUSSCGKSA-N 1 2 324.300 1.746 50 5 DDBALO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)nc1 ZINC000097378003 353919699 /nfs/dbraw/zinc/91/96/99/353919699.db2.gz NTQCANGYZPLSTI-JTQLQIEISA-N 1 2 320.271 1.035 50 5 DDBALO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000071904628 406864914 /nfs/dbraw/zinc/86/49/14/406864914.db2.gz PTIQEWRVLCBOEO-QWRGUYRKSA-N 1 2 300.380 1.848 50 5 DDBALO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000071904628 406864917 /nfs/dbraw/zinc/86/49/17/406864917.db2.gz PTIQEWRVLCBOEO-QWRGUYRKSA-N 1 2 300.380 1.848 50 5 DDBALO O=[N+]([O-])c1cnc(NCCNc2cccc[nH+]2)nc1NC1CC1 ZINC000026695648 406906150 /nfs/dbraw/zinc/90/61/50/406906150.db2.gz RQKOSKUYCOKYHI-UHFFFAOYSA-N 1 2 315.337 1.878 50 5 DDBALO C[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000033081289 406958764 /nfs/dbraw/zinc/95/87/64/406958764.db2.gz CBWGLRNXYAGECH-URWSZGRFSA-N 1 2 319.361 1.445 50 5 DDBALO Cc1cc(N2CCNC(=O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000058314072 407220569 /nfs/dbraw/zinc/22/05/69/407220569.db2.gz IAUKDYWOMOGDHB-UHFFFAOYSA-N 1 2 313.317 1.296 50 5 DDBALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000097373304 407292371 /nfs/dbraw/zinc/29/23/71/407292371.db2.gz ROMCRIMDBFXCPL-SNVBAGLBSA-N 1 2 316.317 1.550 50 5 DDBALO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCn1cc[nH+]c1 ZINC000000536140 406652040 /nfs/dbraw/zinc/65/20/40/406652040.db2.gz DTLNIJCRPKLODR-UHFFFAOYSA-N 1 2 300.274 1.478 50 5 DDBALO O=[N+]([O-])c1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)nc1 ZINC000023616939 406891560 /nfs/dbraw/zinc/89/15/60/406891560.db2.gz SIHPCFAMSHVZEF-UHFFFAOYSA-N 1 2 301.306 1.965 50 5 DDBALO CC[N@H+](CC(=O)NC[C@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000097679535 407301249 /nfs/dbraw/zinc/30/12/49/407301249.db2.gz MGMBLEVPRQHANI-CQSZACIVSA-N 1 2 321.377 1.712 50 5 DDBALO CC[N@@H+](CC(=O)NC[C@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000097679535 407301250 /nfs/dbraw/zinc/30/12/50/407301250.db2.gz MGMBLEVPRQHANI-CQSZACIVSA-N 1 2 321.377 1.712 50 5 DDBALO C[N@H+](CC(N)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159416934 197352369 /nfs/dbraw/zinc/35/23/69/197352369.db2.gz LPBPDTMYKXSULR-UHFFFAOYSA-N 1 2 302.128 1.274 50 5 DDBALO C[N@@H+](CC(N)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159416934 197352370 /nfs/dbraw/zinc/35/23/70/197352370.db2.gz LPBPDTMYKXSULR-UHFFFAOYSA-N 1 2 302.128 1.274 50 5 DDBALO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000221882404 407550494 /nfs/dbraw/zinc/55/04/94/407550494.db2.gz DNNGPTGDVPUIIW-SMDDNHRTSA-N 1 2 319.361 1.857 50 5 DDBALO CN(C[C@H]1C[N@H+](C)CCO1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599040421 357800088 /nfs/dbraw/zinc/80/00/88/357800088.db2.gz OVJCRINPJZCBGJ-CYBMUJFWSA-N 1 2 316.361 1.910 50 5 DDBALO CN(C[C@H]1C[N@@H+](C)CCO1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599040421 357800089 /nfs/dbraw/zinc/80/00/89/357800089.db2.gz OVJCRINPJZCBGJ-CYBMUJFWSA-N 1 2 316.361 1.910 50 5 DDBALO Cn1ccnc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000076091372 406954865 /nfs/dbraw/zinc/95/48/65/406954865.db2.gz ANHLRJWGPNEDLE-LLVKDONJSA-N 1 2 302.338 1.410 50 5 DDBALO Cn1ccnc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000076091372 406954867 /nfs/dbraw/zinc/95/48/67/406954867.db2.gz ANHLRJWGPNEDLE-LLVKDONJSA-N 1 2 302.338 1.410 50 5 DDBALO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Cn1cc[nH+]c1 ZINC000081800783 192326953 /nfs/dbraw/zinc/32/69/53/192326953.db2.gz FZBUONUMCXGAHH-SNVBAGLBSA-N 1 2 306.297 1.997 50 5 DDBALO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000097097830 290180628 /nfs/dbraw/zinc/18/06/28/290180628.db2.gz DNNGPTGDVPUIIW-BXUZGUMPSA-N 1 2 319.361 1.857 50 5 DDBALO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000097097830 290180629 /nfs/dbraw/zinc/18/06/29/290180629.db2.gz DNNGPTGDVPUIIW-BXUZGUMPSA-N 1 2 319.361 1.857 50 5 DDBALO CCOC(=O)[C@H]([NH3+])Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000034424611 696128201 /nfs/dbraw/zinc/12/82/01/696128201.db2.gz POQSUGPFFCSANW-SECBINFHSA-N 1 2 317.139 1.790 50 5 DDBALO NC(=O)c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000058266871 184097144 /nfs/dbraw/zinc/09/71/44/184097144.db2.gz UVJJWFVDQPOOHX-DZGCQCFKSA-N 1 2 319.361 1.837 50 5 DDBALO NC(=O)c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000058266871 184097146 /nfs/dbraw/zinc/09/71/46/184097146.db2.gz UVJJWFVDQPOOHX-DZGCQCFKSA-N 1 2 319.361 1.837 50 5 DDBALO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000071904629 406865297 /nfs/dbraw/zinc/86/52/97/406865297.db2.gz PTIQEWRVLCBOEO-MNOVXSKESA-N 1 2 300.380 1.848 50 5 DDBALO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000071904629 406865300 /nfs/dbraw/zinc/86/53/00/406865300.db2.gz PTIQEWRVLCBOEO-MNOVXSKESA-N 1 2 300.380 1.848 50 5 DDBALO O=[N+]([O-])c1cnn(C[C@H](O)Cn2c[nH+]c3cc(F)c(F)cc32)c1 ZINC000076081936 406953403 /nfs/dbraw/zinc/95/34/03/406953403.db2.gz VRKYTEXGAWTTMB-SECBINFHSA-N 1 2 323.259 1.480 50 5 DDBALO Cc1cc2[nH+]cn(C[C@@H](O)Cn3ccc([N+](=O)[O-])n3)c2cc1C ZINC000170691901 407477406 /nfs/dbraw/zinc/47/74/06/407477406.db2.gz UTIVURMLEJZCGG-GFCCVEGCSA-N 1 2 315.333 1.819 50 5 DDBALO C[N@@H+]1CCO[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000161972356 408654072 /nfs/dbraw/zinc/65/40/72/408654072.db2.gz XDGSXEWKTMOTOX-OAHLLOKOSA-N 1 2 319.361 1.416 50 5 DDBALO C[N@H+]1CCO[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000161972356 408654077 /nfs/dbraw/zinc/65/40/77/408654077.db2.gz XDGSXEWKTMOTOX-OAHLLOKOSA-N 1 2 319.361 1.416 50 5 DDBALO Cc1c(NC(=O)C[NH+]2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000003433673 181019034 /nfs/dbraw/zinc/01/90/34/181019034.db2.gz RURRHWMAWPABGJ-UHFFFAOYSA-N 1 2 320.349 1.039 50 5 DDBALO O=[N+]([O-])c1cnn(C[C@@H](O)Cn2c[nH+]c3cc(F)c(F)cc32)c1 ZINC000076081933 406953743 /nfs/dbraw/zinc/95/37/43/406953743.db2.gz VRKYTEXGAWTTMB-VIFPVBQESA-N 1 2 323.259 1.480 50 5 DDBALO O=[N+]([O-])c1cccc(-n2nnnc2C[NH2+]Cc2ccco2)c1 ZINC000033511793 406962257 /nfs/dbraw/zinc/96/22/57/406962257.db2.gz LDMPDSHVZWOFIW-UHFFFAOYSA-N 1 2 300.278 1.453 50 5 DDBALO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000079983137 407067190 /nfs/dbraw/zinc/06/71/90/407067190.db2.gz ZOBKSRNTCNAWIS-ZDUSSCGKSA-N 1 2 307.350 1.277 50 5 DDBALO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000079983137 407067192 /nfs/dbraw/zinc/06/71/92/407067192.db2.gz ZOBKSRNTCNAWIS-ZDUSSCGKSA-N 1 2 307.350 1.277 50 5 DDBALO COC(=O)c1cc([N+](=O)[O-])cc(C(=O)OC)c1-n1cc[nH+]c1 ZINC000096124723 407239940 /nfs/dbraw/zinc/23/99/40/407239940.db2.gz PHQPNNIRFGFKGH-UHFFFAOYSA-N 1 2 305.246 1.354 50 5 DDBALO