smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566361598 974609534 /nfs/dbraw/zinc/60/95/34/974609534.db2.gz JKBQIZWJVUNGQF-QGZVFWFLSA-N 0 2 390.417 1.880 20 5 GDBDLN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566361598 974609536 /nfs/dbraw/zinc/60/95/36/974609536.db2.gz JKBQIZWJVUNGQF-QGZVFWFLSA-N 0 2 390.417 1.880 20 5 GDBDLN O=C([O-])Cc1ccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000566976261 974625751 /nfs/dbraw/zinc/62/57/51/974625751.db2.gz OMQHIMORBVDECW-QGZVFWFLSA-N 0 2 381.454 1.842 20 5 GDBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC[N@@H+]1CCO ZINC001594490042 985597073 /nfs/dbraw/zinc/59/70/73/985597073.db2.gz UUEPIMDVXIRNGG-GFCCVEGCSA-N 0 2 397.453 1.300 20 5 GDBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC[N@H+]1CCO ZINC001594490042 985597085 /nfs/dbraw/zinc/59/70/85/985597085.db2.gz UUEPIMDVXIRNGG-GFCCVEGCSA-N 0 2 397.453 1.300 20 5 GDBDLN CN(C)C(=O)C[N@@H+]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001598130233 990568268 /nfs/dbraw/zinc/56/82/68/990568268.db2.gz VLNPCWMJJGXGRM-UHFFFAOYSA-N 0 2 384.820 1.547 20 5 GDBDLN CN(C)C(=O)C[N@H+]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001598130233 990568274 /nfs/dbraw/zinc/56/82/74/990568274.db2.gz VLNPCWMJJGXGRM-UHFFFAOYSA-N 0 2 384.820 1.547 20 5 GDBDLN COc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1[N+](=O)[O-] ZINC000475794093 531304269 /nfs/dbraw/zinc/30/42/69/531304269.db2.gz HDNLPUMRMFRMQW-UHFFFAOYSA-N 0 2 387.395 1.203 20 5 GDBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000481960186 531391744 /nfs/dbraw/zinc/39/17/44/531391744.db2.gz LVYOAHYWYQJYBK-UHFFFAOYSA-N 0 2 385.423 1.811 20 5 GDBDLN CCOC(=O)Cc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000269701050 531716866 /nfs/dbraw/zinc/71/68/66/531716866.db2.gz 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O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(O)c2F)c1-c1nn[nH]n1 ZINC000826500293 608492698 /nfs/dbraw/zinc/49/26/98/608492698.db2.gz SEVVEFHRZMWJFR-UHFFFAOYSA-N 0 2 380.317 1.420 20 5 GDBDLN COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)cnc2N)cc([N+](=O)[O-])c1 ZINC000533165201 650044190 /nfs/dbraw/zinc/04/41/90/650044190.db2.gz KEOWADVJJIOEML-UHFFFAOYSA-N 0 2 386.773 1.813 20 5 GDBDLN COC(=O)[C@@H](NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1cccs1 ZINC000522026211 648667467 /nfs/dbraw/zinc/66/74/67/648667467.db2.gz TXEFEWANWBZEAI-ZDUSSCGKSA-N 0 2 386.407 1.858 20 5 GDBDLN O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000590159613 652125317 /nfs/dbraw/zinc/12/53/17/652125317.db2.gz HKEHJTZSPXLKSS-MRVPVSSYSA-N 0 2 387.805 1.640 20 5 GDBDLN CC(C)(C)OC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000592384716 652186913 /nfs/dbraw/zinc/18/69/13/652186913.db2.gz UUERLAKUJPIHHG-UHFFFAOYSA-N 0 2 389.415 1.390 20 5 GDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000603967821 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CCOC(=O)Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000269704677 531718833 /nfs/dbraw/zinc/71/88/33/531718833.db2.gz NXSAQLLNWUWGEC-UHFFFAOYSA-N 0 2 390.374 1.492 20 5 GDBDLN Cc1nn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)c(=O)c(-c2nn[nH]n2)c1C ZINC000737521991 598787832 /nfs/dbraw/zinc/78/78/32/598787832.db2.gz LMAFZAHCDDDYMK-UHFFFAOYSA-N 0 2 385.384 1.784 20 5 GDBDLN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)[O-] ZINC000828719327 601013208 /nfs/dbraw/zinc/01/32/08/601013208.db2.gz QNAGIIVGYSJFKL-MKBNYLNASA-N 0 2 379.417 1.092 20 5 GDBDLN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)[O-] ZINC000828719327 601013209 /nfs/dbraw/zinc/01/32/09/601013209.db2.gz QNAGIIVGYSJFKL-MKBNYLNASA-N 0 2 379.417 1.092 20 5 GDBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)c1C ZINC000832957823 602209328 /nfs/dbraw/zinc/20/93/28/602209328.db2.gz NADBLEOBDIJMGO-LBPRGKRZSA-N 0 2 385.442 1.381 20 5 GDBDLN CN(CC1CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1)C(=O)[O-] ZINC000739659771 602390626 /nfs/dbraw/zinc/39/06/26/602390626.db2.gz KYWMOQWSXMPLGG-HNNXBMFYSA-N 0 2 390.396 1.549 20 5 GDBDLN CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000739501982 602799410 /nfs/dbraw/zinc/79/94/10/602799410.db2.gz RCZBZMKGVQYSND-DGCLKSJQSA-N 0 2 380.401 1.910 20 5 GDBDLN CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000739501982 602799411 /nfs/dbraw/zinc/79/94/11/602799411.db2.gz RCZBZMKGVQYSND-DGCLKSJQSA-N 0 2 380.401 1.910 20 5 GDBDLN C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](CNC(=O)[O-])C1 ZINC000828513653 604398100 /nfs/dbraw/zinc/39/81/00/604398100.db2.gz OJOMCSIQPBYYEO-CYBMUJFWSA-N 0 2 378.429 1.916 20 5 GDBDLN C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](CNC(=O)[O-])C1 ZINC000828513653 604398102 /nfs/dbraw/zinc/39/81/02/604398102.db2.gz OJOMCSIQPBYYEO-CYBMUJFWSA-N 0 2 378.429 1.916 20 5 GDBDLN Cc1cccc(NC[C@@H]2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)n1 ZINC000822324205 606705435 /nfs/dbraw/zinc/70/54/35/606705435.db2.gz XLHSDGMGDXUPTB-LBPRGKRZSA-N 0 2 381.400 1.812 20 5 GDBDLN O=C(OCc1n[nH]c(=O)[nH]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000774987691 654650618 /nfs/dbraw/zinc/65/06/18/654650618.db2.gz BGRUSPRYUYZEEP-UHFFFAOYSA-N 0 2 390.093 1.380 20 5 GDBDLN O=[N+]([O-])c1cccnc1NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000127900943 531035512 /nfs/dbraw/zinc/03/55/12/531035512.db2.gz CLEPIURDPDHHBT-UHFFFAOYSA-N 0 2 383.352 1.263 20 5 GDBDLN O=C(CO)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000521751875 531251305 /nfs/dbraw/zinc/25/13/05/531251305.db2.gz MEPGGTAPGHPFRT-UHFFFAOYSA-N 0 2 385.785 1.980 20 5 GDBDLN Cn1ncc(I)c1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000436836661 531286810 /nfs/dbraw/zinc/28/68/10/531286810.db2.gz HTSNWRDUEIULTO-UHFFFAOYSA-N 0 2 388.121 1.891 20 5 GDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(F)c1S(N)(=O)=O ZINC000443150748 531386763 /nfs/dbraw/zinc/38/67/63/531386763.db2.gz CUUDHTAXEUUBHT-UHFFFAOYSA-N 0 2 389.386 1.491 20 5 GDBDLN COc1cc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000278785129 531388300 /nfs/dbraw/zinc/38/83/00/531388300.db2.gz VZQKOFJDEWWVSX-UHFFFAOYSA-N 0 2 381.292 1.558 20 5 GDBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C ZINC000480725581 531377130 /nfs/dbraw/zinc/37/71/30/531377130.db2.gz YPCGXRAKDVVJRJ-UHFFFAOYSA-N 0 2 385.423 1.660 20 5 GDBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000539852613 531471751 /nfs/dbraw/zinc/47/17/51/531471751.db2.gz AXRSWWCRUXABDS-UHFFFAOYSA-N 0 2 386.407 1.808 20 5 GDBDLN CCc1nc(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n[nH]1 ZINC000297248538 531772585 /nfs/dbraw/zinc/77/25/85/531772585.db2.gz XRPVWXWVCCFGNT-UHFFFAOYSA-N 0 2 390.219 1.516 20 5 GDBDLN O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000537402281 600491778 /nfs/dbraw/zinc/49/17/78/600491778.db2.gz GSLILXKWEZJHGB-CQSZACIVSA-N 0 2 388.380 1.876 20 5 GDBDLN CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)[O-] ZINC000828719328 601013241 /nfs/dbraw/zinc/01/32/41/601013241.db2.gz QNAGIIVGYSJFKL-MQIPJXDCSA-N 0 2 379.417 1.092 20 5 GDBDLN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)[O-] ZINC000828719328 601013243 /nfs/dbraw/zinc/01/32/43/601013243.db2.gz QNAGIIVGYSJFKL-MQIPJXDCSA-N 0 2 379.417 1.092 20 5 GDBDLN COc1ccc(NC(=O)C[NH+]2CCC([C@@H](C)NC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000739922437 602449804 /nfs/dbraw/zinc/44/98/04/602449804.db2.gz YGTBNKBQGFWGPP-LLVKDONJSA-N 0 2 380.401 1.910 20 5 GDBDLN CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000739501985 602800109 /nfs/dbraw/zinc/80/01/09/602800109.db2.gz RCZBZMKGVQYSND-YPMHNXCESA-N 0 2 380.401 1.910 20 5 GDBDLN CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000739501985 602800110 /nfs/dbraw/zinc/80/01/10/602800110.db2.gz RCZBZMKGVQYSND-YPMHNXCESA-N 0 2 380.401 1.910 20 5 GDBDLN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000833813157 605358217 /nfs/dbraw/zinc/35/82/17/605358217.db2.gz NXJGLRQFBTVLFV-CHWSQXEVSA-N 0 2 385.442 1.737 20 5 GDBDLN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000833813157 605358225 /nfs/dbraw/zinc/35/82/25/605358225.db2.gz NXJGLRQFBTVLFV-CHWSQXEVSA-N 0 2 385.442 1.737 20 5 GDBDLN CCOc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1 ZINC000821431541 607153641 /nfs/dbraw/zinc/15/36/41/607153641.db2.gz UWXJTWNAZKNLSC-UHFFFAOYSA-N 0 2 390.381 1.974 20 5 GDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(F)ccc2F)c1-c1nn[nH]n1 ZINC000823647101 607154564 /nfs/dbraw/zinc/15/45/64/607154564.db2.gz FSVHNEZMLQEVHV-UHFFFAOYSA-N 0 2 382.308 1.854 20 5 GDBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000133108682 644752663 /nfs/dbraw/zinc/75/26/63/644752663.db2.gz WDNWXRFYSHIFRN-UHFFFAOYSA-N 0 2 376.554 1.352 20 5 GDBDLN COC(=O)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccsc1 ZINC000469035599 647692204 /nfs/dbraw/zinc/69/22/04/647692204.db2.gz TYMZHACNHMNOTI-ZDUSSCGKSA-N 0 2 386.407 1.858 20 5 GDBDLN COCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809814475 655137226 /nfs/dbraw/zinc/13/72/26/655137226.db2.gz NICMOMZLUQDNKE-SNVBAGLBSA-N 0 2 395.840 1.776 20 5 GDBDLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000794579462 655147688 /nfs/dbraw/zinc/14/76/88/655147688.db2.gz XLKWGLRRJQMHQW-UHFFFAOYSA-N 0 2 391.814 1.848 20 5 GDBDLN O=C(Nc1cc(-c2ccc(Br)cc2)nn1CCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839638325 655259260 /nfs/dbraw/zinc/25/92/60/655259260.db2.gz ZWUBNPBGYRHCAX-DGCLKSJQSA-N 0 2 395.213 1.909 20 5 GDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(-c2nn[nH]n2)s1 ZINC000821487056 655430669 /nfs/dbraw/zinc/43/06/69/655430669.db2.gz OYBVJCWXRHKQAQ-UHFFFAOYSA-N 0 2 381.399 1.595 20 5 GDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(-c2nn[nH]n2)s1 ZINC000821727908 655433865 /nfs/dbraw/zinc/43/38/65/655433865.db2.gz POWLMCAMZQUVJA-UHFFFAOYSA-N 0 2 383.371 1.041 20 5 GDBDLN O=C([O-])CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000565100764 974567749 /nfs/dbraw/zinc/56/77/49/974567749.db2.gz DONSZLFHJJFLRG-AWEZNQCLSA-N 0 2 386.426 1.324 20 5 GDBDLN O=C([O-])CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000565100764 974567753 /nfs/dbraw/zinc/56/77/53/974567753.db2.gz DONSZLFHJJFLRG-AWEZNQCLSA-N 0 2 386.426 1.324 20 5 GDBDLN O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600877981 975011873 /nfs/dbraw/zinc/01/18/73/975011873.db2.gz UQJVNDXMQJPDNF-GXTWGEPZSA-N 0 2 388.380 1.780 20 5 GDBDLN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC[N@@H+]1CCO ZINC001594490045 985596859 /nfs/dbraw/zinc/59/68/59/985596859.db2.gz UUEPIMDVXIRNGG-LBPRGKRZSA-N 0 2 397.453 1.300 20 5 GDBDLN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC[N@H+]1CCO ZINC001594490045 985596868 /nfs/dbraw/zinc/59/68/68/985596868.db2.gz UUEPIMDVXIRNGG-LBPRGKRZSA-N 0 2 397.453 1.300 20 5 GDBDLN COc1cccc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)[O-])c1 ZINC001599686188 990991347 /nfs/dbraw/zinc/99/13/47/990991347.db2.gz GCCVIXHGTMFANH-KRWDZBQOSA-N 0 2 389.364 1.966 20 5 GDBDLN CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000016128027 530563950 /nfs/dbraw/zinc/56/39/50/530563950.db2.gz BJYINOYMMUUSQC-UHFFFAOYSA-N 0 2 385.423 1.646 20 5 GDBDLN NS(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000062930638 530743900 /nfs/dbraw/zinc/74/39/00/530743900.db2.gz YJMAPXCFWXCSJR-UHFFFAOYSA-N 0 2 391.814 1.696 20 5 GDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000272615874 532106893 /nfs/dbraw/zinc/10/68/93/532106893.db2.gz PJMDTCFWEBUWMT-LBPRGKRZSA-N 0 2 383.451 1.391 20 5 GDBDLN C[C@@H](NC(=O)c1ccc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657079 600433057 /nfs/dbraw/zinc/43/30/57/600433057.db2.gz NROXULBDYDSPER-GFCCVEGCSA-N 0 2 387.396 1.836 20 5 GDBDLN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000827386597 601259218 /nfs/dbraw/zinc/25/92/18/601259218.db2.gz VQHBLJBMBJZWFU-JTQLQIEISA-N 0 2 391.833 1.418 20 5 GDBDLN C[C@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1NC(=O)[O-] ZINC000739184864 603396624 /nfs/dbraw/zinc/39/66/24/603396624.db2.gz NELRAXNLHOTZAQ-FZMZJTMJSA-N 0 2 391.384 1.299 20 5 GDBDLN C[C@H]1C[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1NC(=O)[O-] ZINC000739184864 603396628 /nfs/dbraw/zinc/39/66/28/603396628.db2.gz NELRAXNLHOTZAQ-FZMZJTMJSA-N 0 2 391.384 1.299 20 5 GDBDLN COC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)c1ccco1 ZINC000826151751 607659213 /nfs/dbraw/zinc/65/92/13/607659213.db2.gz IWFJKGVEOIVGHX-VIFPVBQESA-N 0 2 394.369 1.034 20 5 GDBDLN C[S@](=O)CC[NH+]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000832729500 604800779 /nfs/dbraw/zinc/80/07/79/604800779.db2.gz DSYDGIAJMZHPTG-DEOSSOPVSA-N 0 2 375.834 1.447 20 5 GDBDLN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C[C@@H]21 ZINC000834180163 605327178 /nfs/dbraw/zinc/32/71/78/605327178.db2.gz JLOQAUTXVCNLNA-WKPIXPDZSA-N 0 2 388.380 1.516 20 5 GDBDLN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C[C@@H]21 ZINC000834180163 605327183 /nfs/dbraw/zinc/32/71/83/605327183.db2.gz JLOQAUTXVCNLNA-WKPIXPDZSA-N 0 2 388.380 1.516 20 5 GDBDLN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000823624742 606709340 /nfs/dbraw/zinc/70/93/40/606709340.db2.gz IAIWOGJOTXAEGA-UHFFFAOYSA-N 0 2 382.319 1.706 20 5 GDBDLN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000823624742 606709342 /nfs/dbraw/zinc/70/93/42/606709342.db2.gz IAIWOGJOTXAEGA-UHFFFAOYSA-N 0 2 382.319 1.706 20 5 GDBDLN CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000537770498 650301080 /nfs/dbraw/zinc/30/10/80/650301080.db2.gz YKRCHUUEQKMNAJ-JTQLQIEISA-N 0 2 377.444 1.300 20 5 GDBDLN 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COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001599264075 998437535 /nfs/dbraw/zinc/43/75/35/998437535.db2.gz DVDIBAOGJAVKRI-ZDUSSCGKSA-N 0 2 394.409 1.482 20 5 GDBDLN CNS(=O)(=O)c1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000055586846 530710220 /nfs/dbraw/zinc/71/02/20/530710220.db2.gz OKEFOBOXZDJPKW-UHFFFAOYSA-N 0 2 385.423 1.612 20 5 GDBDLN O=[N+]([O-])c1ccc(NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 ZINC000127897768 531035669 /nfs/dbraw/zinc/03/56/69/531035669.db2.gz WCPIVWSPRPKKTH-UHFFFAOYSA-N 0 2 382.364 1.868 20 5 GDBDLN CS(=O)(=O)CCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000447001304 531411801 /nfs/dbraw/zinc/41/18/01/531411801.db2.gz RKZWFYZECPWGDR-UHFFFAOYSA-N 0 2 384.435 1.983 20 5 GDBDLN Cn1cc([C@@H](CO)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000559503479 531603158 /nfs/dbraw/zinc/60/31/58/531603158.db2.gz UOEZDTPZAGINMT-SNVBAGLBSA-N 0 2 395.224 1.647 20 5 GDBDLN CS(=O)(=O)Nc1nnc(NC(=O)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000299214538 531967266 /nfs/dbraw/zinc/96/72/66/531967266.db2.gz JFWPGMZLIOBWIF-UHFFFAOYSA-N 0 2 387.399 1.225 20 5 GDBDLN NS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000391891615 532298688 /nfs/dbraw/zinc/29/86/88/532298688.db2.gz AETZLPCPGWKJGS-UHFFFAOYSA-N 0 2 391.814 1.696 20 5 GDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000392207376 532298904 /nfs/dbraw/zinc/29/89/04/532298904.db2.gz NJXJMCZRMAQLJJ-UHFFFAOYSA-N 0 2 385.423 1.660 20 5 GDBDLN COc1ccc([C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(=O)[O-])cc1 ZINC000737972982 599858576 /nfs/dbraw/zinc/85/85/76/599858576.db2.gz PQBNOMRBIUAIFP-SFHVURJKSA-N 0 2 385.376 1.908 20 5 GDBDLN COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000831129177 601100102 /nfs/dbraw/zinc/10/01/02/601100102.db2.gz SHBKPUGEXARPCI-NSHDSACASA-N 0 2 379.369 1.002 20 5 GDBDLN O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C[C@@H]21 ZINC000834178309 605327784 /nfs/dbraw/zinc/32/77/84/605327784.db2.gz FFNBWEUBAOYCDZ-ATZCPNFKSA-N 0 2 388.222 1.879 20 5 GDBDLN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C[C@@H]21 ZINC000834178309 605327792 /nfs/dbraw/zinc/32/77/92/605327792.db2.gz FFNBWEUBAOYCDZ-ATZCPNFKSA-N 0 2 388.222 1.879 20 5 GDBDLN COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1F ZINC000821838810 607154626 /nfs/dbraw/zinc/15/46/26/607154626.db2.gz POQQREFOBRBYEF-UHFFFAOYSA-N 0 2 394.344 1.723 20 5 GDBDLN CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598081845 990397424 /nfs/dbraw/zinc/39/74/24/990397424.db2.gz DJCHBOVKOFSMRL-INIZCTEOSA-N 0 2 388.380 1.875 20 5 GDBDLN CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001591211112 992052452 /nfs/dbraw/zinc/05/24/52/992052452.db2.gz QKMYFGZHGLYUSP-ZDUSSCGKSA-N 0 2 385.442 1.644 20 5 GDBDLN CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001591211112 992052457 /nfs/dbraw/zinc/05/24/57/992052457.db2.gz QKMYFGZHGLYUSP-ZDUSSCGKSA-N 0 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O=C([O-])c1sccc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000739275083 600564757 /nfs/dbraw/zinc/56/47/57/600564757.db2.gz VTCKUGRRFVUBCC-SNVBAGLBSA-N 0 2 391.409 1.874 20 5 GDBDLN O=C([O-])C1(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCCC1 ZINC000833105432 601014304 /nfs/dbraw/zinc/01/43/04/601014304.db2.gz KFRQHKYTDLJNIM-CYBMUJFWSA-N 0 2 391.428 1.380 20 5 GDBDLN O=C([O-])C1(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCCC1 ZINC000833105432 601014308 /nfs/dbraw/zinc/01/43/08/601014308.db2.gz KFRQHKYTDLJNIM-CYBMUJFWSA-N 0 2 391.428 1.380 20 5 GDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000830259890 601260089 /nfs/dbraw/zinc/26/00/89/601260089.db2.gz IVDJGWZKDQGILB-GFCCVEGCSA-N 0 2 385.442 1.327 20 5 GDBDLN O=C([O-])N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000834117348 605543935 /nfs/dbraw/zinc/54/39/35/605543935.db2.gz XGUBGAGSIMEIFH-CYBMUJFWSA-N 0 2 392.412 1.335 20 5 GDBDLN O=C([O-])N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000834117348 605543939 /nfs/dbraw/zinc/54/39/39/605543939.db2.gz XGUBGAGSIMEIFH-CYBMUJFWSA-N 0 2 392.412 1.335 20 5 GDBDLN CCCc1nnc([C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CCO2)[nH]1 ZINC000821143384 606723696 /nfs/dbraw/zinc/72/36/96/606723696.db2.gz UGOFJAIMWKGKNW-ZDUSSCGKSA-N 0 2 385.388 1.423 20 5 GDBDLN CCCc1nc([C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000821143384 606723698 /nfs/dbraw/zinc/72/36/98/606723698.db2.gz UGOFJAIMWKGKNW-ZDUSSCGKSA-N 0 2 385.388 1.423 20 5 GDBDLN CCCc1n[nH]c([C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CCO2)n1 ZINC000821143384 606723700 /nfs/dbraw/zinc/72/37/00/606723700.db2.gz UGOFJAIMWKGKNW-ZDUSSCGKSA-N 0 2 385.388 1.423 20 5 GDBDLN CCCn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 ZINC000821147711 607154892 /nfs/dbraw/zinc/15/48/92/607154892.db2.gz IGQIDXUSAIVXLB-UHFFFAOYSA-N 0 2 378.374 1.182 20 5 GDBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(S(C)(=O)=O)nc2)c1 ZINC000541802235 650391281 /nfs/dbraw/zinc/39/12/81/650391281.db2.gz MZYVNOMAAFNOFF-UHFFFAOYSA-N 0 2 385.423 1.811 20 5 GDBDLN CCn1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000594487213 652307095 /nfs/dbraw/zinc/30/70/95/652307095.db2.gz LSHIWZMLWLUZLY-WPRPVWTQSA-N 0 2 386.352 1.590 20 5 GDBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000736419116 654594131 /nfs/dbraw/zinc/59/41/31/654594131.db2.gz PCWGZAXUDDGENL-UHFFFAOYSA-N 0 2 389.386 1.491 20 5 GDBDLN C[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000757743969 655043142 /nfs/dbraw/zinc/04/31/42/655043142.db2.gz AGYBRIQNNLYFQE-YFKPBYRVSA-N 0 2 394.182 1.654 20 5 GDBDLN CC1(C)Cc2nc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)sc2C(=O)N1 ZINC000844835338 655417913 /nfs/dbraw/zinc/41/79/13/655417913.db2.gz DRDIDONWEUBAOB-UHFFFAOYSA-N 0 2 388.452 1.978 20 5 GDBDLN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001589350453 986309787 /nfs/dbraw/zinc/30/97/87/986309787.db2.gz QMRMXVSUFXMXQN-AWEZNQCLSA-N 0 2 390.440 1.429 20 5 GDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589444332 986798622 /nfs/dbraw/zinc/79/86/22/986798622.db2.gz LGPPWFUCQWFUCA-RYUDHWBXSA-N 0 2 388.384 1.549 20 5 GDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589444332 986798634 /nfs/dbraw/zinc/79/86/34/986798634.db2.gz LGPPWFUCQWFUCA-RYUDHWBXSA-N 0 2 388.384 1.549 20 5 GDBDLN CS(=O)(=O)Nc1nnc(NC(=O)CCNc2ccccc2[N+](=O)[O-])s1 ZINC000047293229 530657401 /nfs/dbraw/zinc/65/74/01/530657401.db2.gz AOUVXJAHWGQFGM-UHFFFAOYSA-N 0 2 386.415 1.259 20 5 GDBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cn1 ZINC000055641100 530710837 /nfs/dbraw/zinc/71/08/37/530710837.db2.gz SEEVFDVNIIATFC-UHFFFAOYSA-N 0 2 387.805 1.300 20 5 GDBDLN Cn1cc(-c2nnc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)o2)cn1 ZINC000194755397 531009490 /nfs/dbraw/zinc/00/94/90/531009490.db2.gz XFBPCMJWTRSQEO-UHFFFAOYSA-N 0 2 384.761 1.833 20 5 GDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000619466381 531705044 /nfs/dbraw/zinc/70/50/44/531705044.db2.gz XUDUCYAKJSLGPN-UHFFFAOYSA-N 0 2 387.395 1.052 20 5 GDBDLN O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000833172975 601113942 /nfs/dbraw/zinc/11/39/42/601113942.db2.gz YLQDMTNEDKYERK-MRXNPFEDSA-N 0 2 393.831 1.888 20 5 GDBDLN Cc1cn(C[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000740198467 602524294 /nfs/dbraw/zinc/52/42/94/602524294.db2.gz PUQIUBRREXWOTN-CQSZACIVSA-N 0 2 389.412 1.745 20 5 GDBDLN Cc1cn(C[N@@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000740198467 602524295 /nfs/dbraw/zinc/52/42/95/602524295.db2.gz PUQIUBRREXWOTN-CQSZACIVSA-N 0 2 389.412 1.745 20 5 GDBDLN C[C@@H](NC(=O)N(C)CC[NH+]1CCN(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000738972277 602619585 /nfs/dbraw/zinc/61/95/85/602619585.db2.gz XKRIIYUOSRJWMR-CYBMUJFWSA-N 0 2 379.417 1.593 20 5 GDBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000739683026 603043332 /nfs/dbraw/zinc/04/33/32/603043332.db2.gz XIBLOYVYEFCVSB-UHFFFAOYSA-N 0 2 378.429 1.626 20 5 GDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000829224443 603731666 /nfs/dbraw/zinc/73/16/66/603731666.db2.gz JMQPVKXEHCFJPG-BXUZGUMPSA-N 0 2 380.401 1.910 20 5 GDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000829224443 603731671 /nfs/dbraw/zinc/73/16/71/603731671.db2.gz JMQPVKXEHCFJPG-BXUZGUMPSA-N 0 2 380.401 1.910 20 5 GDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000829223890 604182938 /nfs/dbraw/zinc/18/29/38/604182938.db2.gz CRBNIJPIEOZCSF-NWDGAFQWSA-N 0 2 380.401 1.910 20 5 GDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000829223890 604182942 /nfs/dbraw/zinc/18/29/42/604182942.db2.gz CRBNIJPIEOZCSF-NWDGAFQWSA-N 0 2 380.401 1.910 20 5 GDBDLN C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833403279 605189778 /nfs/dbraw/zinc/18/97/78/605189778.db2.gz HEQCLFPHOGLGKU-CYBMUJFWSA-N 0 2 376.413 1.426 20 5 GDBDLN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C[C@@H]21 ZINC000834178314 605328318 /nfs/dbraw/zinc/32/83/18/605328318.db2.gz FFNBWEUBAOYCDZ-WCABBAIRSA-N 0 2 388.222 1.879 20 5 GDBDLN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C[C@@H]21 ZINC000834178314 605328324 /nfs/dbraw/zinc/32/83/24/605328324.db2.gz FFNBWEUBAOYCDZ-WCABBAIRSA-N 0 2 388.222 1.879 20 5 GDBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccn2)cc1[N+](=O)[O-] ZINC000556303234 650701537 /nfs/dbraw/zinc/70/15/37/650701537.db2.gz BRJSWTNZDXLTOR-UHFFFAOYSA-N 0 2 385.423 1.811 20 5 GDBDLN NC(=O)c1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])on1 ZINC000443775595 647223650 /nfs/dbraw/zinc/22/36/50/647223650.db2.gz BWHNJPPSDPSIJI-UHFFFAOYSA-N 0 2 395.180 1.467 20 5 GDBDLN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000574342408 651534545 /nfs/dbraw/zinc/53/45/45/651534545.db2.gz QCKAPWJDIVOLAG-UHFFFAOYSA-N 0 2 386.407 1.808 20 5 GDBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)c1 ZINC000795898841 655194743 /nfs/dbraw/zinc/19/47/43/655194743.db2.gz SVCBILDDTCDXNU-RXMQYKEDSA-N 0 2 380.703 1.979 20 5 GDBDLN COCc1n[nH]c(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000849437113 655535099 /nfs/dbraw/zinc/53/50/99/655535099.db2.gz APFGCXXYTGRIBV-UHFFFAOYSA-N 0 2 379.757 1.130 20 5 GDBDLN O=C([O-])[C@]12CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000262427515 961713717 /nfs/dbraw/zinc/71/37/17/961713717.db2.gz RIOZHAUTUBGKIW-SCLBCKFNSA-N 0 2 386.364 1.344 20 5 GDBDLN CS(C)(=O)=NCC1CC[NH+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001599780627 992359926 /nfs/dbraw/zinc/35/99/26/992359926.db2.gz IIKWQCJBZZTNKX-UHFFFAOYSA-N 0 2 399.469 1.998 20 5 GDBDLN CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000005940911 530540635 /nfs/dbraw/zinc/54/06/35/530540635.db2.gz RPDVIEXHBMKHOE-UHFFFAOYSA-N 0 2 385.423 1.646 20 5 GDBDLN NS(=O)(=O)c1cc(F)cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000055678832 530711604 /nfs/dbraw/zinc/71/16/04/530711604.db2.gz AJJJPEVXWIWBSO-UHFFFAOYSA-N 0 2 375.359 1.182 20 5 GDBDLN CC(C)(C(=O)Nc1nnc(NS(C)(=O)=O)s1)c1ccc([N+](=O)[O-])cc1 ZINC000265809987 531289501 /nfs/dbraw/zinc/28/95/01/531289501.db2.gz PAKGWESDDYVEEZ-UHFFFAOYSA-N 0 2 385.427 1.734 20 5 GDBDLN CCOC(=O)c1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000610796718 531518034 /nfs/dbraw/zinc/51/80/34/531518034.db2.gz CTOAPTXCNFWRGB-UHFFFAOYSA-N 0 2 388.383 1.432 20 5 GDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000737113801 598593125 /nfs/dbraw/zinc/59/31/25/598593125.db2.gz GOLPEZVRBJFFEF-UHFFFAOYSA-N 0 2 394.344 1.723 20 5 GDBDLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)[O-])cc1 ZINC000737975742 599859655 /nfs/dbraw/zinc/85/96/55/599859655.db2.gz ZTKFIAGMDGTCKI-KRWDZBQOSA-N 0 2 389.364 1.966 20 5 GDBDLN O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262150263 600667996 /nfs/dbraw/zinc/66/79/96/600667996.db2.gz MWDHGTCINFABGP-LBPRGKRZSA-N 0 2 376.394 1.813 20 5 GDBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739932644 602784156 /nfs/dbraw/zinc/78/41/56/602784156.db2.gz HJOFECNKAKOVNV-NTZNESFSSA-N 0 2 380.401 1.908 20 5 GDBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739932644 602784157 /nfs/dbraw/zinc/78/41/57/602784157.db2.gz HJOFECNKAKOVNV-NTZNESFSSA-N 0 2 380.401 1.908 20 5 GDBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000825622681 603512310 /nfs/dbraw/zinc/51/23/10/603512310.db2.gz DVXFZIUIDLEKFL-AAEUAGOBSA-N 0 2 382.442 1.486 20 5 GDBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000825622681 603512313 /nfs/dbraw/zinc/51/23/13/603512313.db2.gz DVXFZIUIDLEKFL-AAEUAGOBSA-N 0 2 382.442 1.486 20 5 GDBDLN COc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)nc1 ZINC000500484546 648114429 /nfs/dbraw/zinc/11/44/29/648114429.db2.gz GIEJJPJLKNSEEM-UHFFFAOYSA-N 0 2 389.187 1.957 20 5 GDBDLN C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)[O-])[nH]1 ZINC001598494033 992339570 /nfs/dbraw/zinc/33/95/70/992339570.db2.gz KRIHVNCCTMZOFK-UHFFFAOYSA-N 0 2 382.398 1.031 20 5 GDBDLN C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)[O-])[nH]1 ZINC001598494033 992339581 /nfs/dbraw/zinc/33/95/81/992339581.db2.gz KRIHVNCCTMZOFK-UHFFFAOYSA-N 0 2 382.398 1.031 20 5 GDBDLN C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC001594428711 999601670 /nfs/dbraw/zinc/60/16/70/999601670.db2.gz GKFYXRHDUQAGET-BXUZGUMPSA-N 0 2 394.409 1.761 20 5 GDBDLN CS(=O)(=O)Nc1nnc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000485884206 531439553 /nfs/dbraw/zinc/43/95/53/531439553.db2.gz PXWKBBUNJCNLPH-UHFFFAOYSA-N 0 2 393.353 1.277 20 5 GDBDLN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(NS(C)(=O)=O)s2)c1 ZINC000492181950 531562000 /nfs/dbraw/zinc/56/20/00/531562000.db2.gz OFFVXFFAQXIEBP-UHFFFAOYSA-N 0 2 389.440 1.792 20 5 GDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(F)cc2C(F)(F)F)n1 ZINC000599216127 532012799 /nfs/dbraw/zinc/01/27/99/532012799.db2.gz MHJNENWNCRJNDZ-UHFFFAOYSA-N 0 2 382.295 1.965 20 5 GDBDLN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000739292905 599967333 /nfs/dbraw/zinc/96/73/33/599967333.db2.gz GUCWHVLBQWWBJH-HNNXBMFYSA-N 0 2 399.359 1.774 20 5 GDBDLN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000739292905 599967334 /nfs/dbraw/zinc/96/73/34/599967334.db2.gz GUCWHVLBQWWBJH-HNNXBMFYSA-N 0 2 399.359 1.774 20 5 GDBDLN C[C@@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1NC(=O)[O-] ZINC000739184865 603396855 /nfs/dbraw/zinc/39/68/55/603396855.db2.gz NELRAXNLHOTZAQ-RISCZKNCSA-N 0 2 391.384 1.299 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COc1cc(C[N@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c([N+](=O)[O-])cc1F ZINC001599407210 997334141 /nfs/dbraw/zinc/33/41/41/997334141.db2.gz JGVWGAQQOAZWFP-LLVKDONJSA-N 0 2 379.348 1.869 20 5 GDBDLN CCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1S(N)(=O)=O ZINC000067124690 530773286 /nfs/dbraw/zinc/77/32/86/530773286.db2.gz RRFGCGVOBWATON-UHFFFAOYSA-N 0 2 385.423 1.605 20 5 GDBDLN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCOc1ncc(Cl)cc1Cl ZINC000135849956 531111926 /nfs/dbraw/zinc/11/19/26/531111926.db2.gz RLAWDOOHKCGGOI-UHFFFAOYSA-N 0 2 387.179 1.654 20 5 GDBDLN CCS(=O)(=O)c1ccc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])s1 ZINC000530531662 531397719 /nfs/dbraw/zinc/39/77/19/531397719.db2.gz VCBRDWOSGMWVPY-UHFFFAOYSA-N 0 2 391.452 1.323 20 5 GDBDLN CS(=O)(=O)Nc1nc2c(s1)CN(C(=O)c1csc([N+](=O)[O-])c1)CC2 ZINC000552220133 531555298 /nfs/dbraw/zinc/55/52/98/531555298.db2.gz OPQISKOGDZFPFK-UHFFFAOYSA-N 0 2 388.452 1.683 20 5 GDBDLN CCc1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000416488152 531644325 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530786760 /nfs/dbraw/zinc/78/67/60/530786760.db2.gz AYTHZZPGDFBPDK-UHFFFAOYSA-N 0 2 375.359 1.707 20 5 GDBDLN C[C@H](C[S@@](C)=O)N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000135777106 531112145 /nfs/dbraw/zinc/11/21/45/531112145.db2.gz IAZZYSPXZYFQIK-ITSYKEIMSA-N 0 2 375.834 1.203 20 5 GDBDLN O=C(Nc1ccncc1I)c1cc(O)ccc1[N+](=O)[O-] ZINC000556931522 531505936 /nfs/dbraw/zinc/50/59/36/531505936.db2.gz VBXJRPLLVGLTGH-UHFFFAOYSA-N 0 2 385.117 1.974 20 5 GDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000280774192 531538131 /nfs/dbraw/zinc/53/81/31/531538131.db2.gz BZEMGWBWUGNLEY-LLVKDONJSA-N 0 2 383.451 1.391 20 5 GDBDLN C[C@](O)(CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(F)(F)F ZINC000286382765 532146014 /nfs/dbraw/zinc/14/60/14/532146014.db2.gz KLXAVJDGCJSIOU-VIFPVBQESA-N 0 2 380.703 1.979 20 5 GDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829223893 604182976 /nfs/dbraw/zinc/18/29/76/604182976.db2.gz CRBNIJPIEOZCSF-VXGBXAGGSA-N 0 2 380.401 1.910 20 5 GDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829223893 604182979 /nfs/dbraw/zinc/18/29/79/604182979.db2.gz CRBNIJPIEOZCSF-VXGBXAGGSA-N 0 2 380.401 1.910 20 5 GDBDLN O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@H]21 ZINC000834180671 605323398 /nfs/dbraw/zinc/32/33/98/605323398.db2.gz KPYQEJSJNOYIGE-CYZMBNFOSA-N 0 2 388.380 1.516 20 5 GDBDLN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@H]21 ZINC000834180671 605323406 /nfs/dbraw/zinc/32/34/06/605323406.db2.gz KPYQEJSJNOYIGE-CYZMBNFOSA-N 0 2 388.380 1.516 20 5 GDBDLN C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833634641 605394851 /nfs/dbraw/zinc/39/48/51/605394851.db2.gz JOHCIXZPOBXRSI-AAEUAGOBSA-N 0 2 383.426 1.540 20 5 GDBDLN C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833634641 605394859 /nfs/dbraw/zinc/39/48/59/605394859.db2.gz JOHCIXZPOBXRSI-AAEUAGOBSA-N 0 2 383.426 1.540 20 5 GDBDLN C[C@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000833821079 605677540 /nfs/dbraw/zinc/67/75/40/605677540.db2.gz XXIGMSUQFNLHBX-BLLLJJGKSA-N 0 2 389.412 1.852 20 5 GDBDLN C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000833821079 605677543 /nfs/dbraw/zinc/67/75/43/605677543.db2.gz XXIGMSUQFNLHBX-BLLLJJGKSA-N 0 2 389.412 1.852 20 5 GDBDLN O=C(C[N@H+](C1CC1)[C@H]1CCN(C(=O)[O-])C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000834004098 605780497 /nfs/dbraw/zinc/78/04/97/605780497.db2.gz OPENGAGQXRZDBR-NSHDSACASA-N 0 2 392.368 1.479 20 5 GDBDLN O=C(C[N@@H+](C1CC1)[C@H]1CCN(C(=O)[O-])C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000834004098 605780501 /nfs/dbraw/zinc/78/05/01/605780501.db2.gz OPENGAGQXRZDBR-NSHDSACASA-N 0 2 392.368 1.479 20 5 GDBDLN CCCc1nnc([C@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CCO2)[nH]1 ZINC000821143383 606723718 /nfs/dbraw/zinc/72/37/18/606723718.db2.gz UGOFJAIMWKGKNW-CYBMUJFWSA-N 0 2 385.388 1.423 20 5 GDBDLN CCCc1nc([C@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000821143383 606723720 /nfs/dbraw/zinc/72/37/20/606723720.db2.gz UGOFJAIMWKGKNW-CYBMUJFWSA-N 0 2 385.388 1.423 20 5 GDBDLN CCCc1n[nH]c([C@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CCO2)n1 ZINC000821143383 606723722 /nfs/dbraw/zinc/72/37/22/606723722.db2.gz UGOFJAIMWKGKNW-CYBMUJFWSA-N 0 2 385.388 1.423 20 5 GDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ncc(-c3nn[nH]n3)s2)c1C ZINC000822212812 607026192 /nfs/dbraw/zinc/02/61/92/607026192.db2.gz IGVFECKTBNKQCX-UHFFFAOYSA-N 0 2 381.399 1.649 20 5 GDBDLN CCc1nn(Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)c(-c2nn[nH]n2)c1CC ZINC000825762628 609418457 /nfs/dbraw/zinc/41/84/57/609418457.db2.gz FLQDMTRGFRFKTK-UHFFFAOYSA-N 0 2 385.384 1.513 20 5 GDBDLN COC(=O)CCc1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000471522784 647747946 /nfs/dbraw/zinc/74/79/46/647747946.db2.gz PHGZXWBQSKVMNE-UHFFFAOYSA-N 0 2 386.411 1.661 20 5 GDBDLN Cn1ncc(C(F)(F)F)c1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000599370666 652487393 /nfs/dbraw/zinc/48/73/93/652487393.db2.gz UNKZXWMPNOELIU-UHFFFAOYSA-N 0 2 382.295 1.965 20 5 GDBDLN COC(=O)c1c[nH]c(C(=O)OC)c1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000790068092 655040344 /nfs/dbraw/zinc/04/03/44/655040344.db2.gz LTWIAFKSBMBEFU-UHFFFAOYSA-N 0 2 389.367 1.358 20 5 GDBDLN O=C([O-])CC1(C[NH+]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000566357765 974607496 /nfs/dbraw/zinc/60/74/96/974607496.db2.gz LATUCKLTZGDUPY-UHFFFAOYSA-N 0 2 383.426 1.156 20 5 GDBDLN COc1ncc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C(N)=O ZINC000474396989 531274981 /nfs/dbraw/zinc/27/49/81/531274981.db2.gz YANUNFBPWQCSSU-UHFFFAOYSA-N 0 2 386.773 1.552 20 5 GDBDLN O=[N+]([O-])c1ccccc1N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000438902959 531311301 /nfs/dbraw/zinc/31/13/01/531311301.db2.gz UVVJQCQSEFAULY-UHFFFAOYSA-N 0 2 382.364 1.550 20 5 GDBDLN CC[C@@]1(C)NC(=O)N(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1=O ZINC000278711633 531381882 /nfs/dbraw/zinc/38/18/82/531381882.db2.gz KFZAQRQWGCBQFG-CYBMUJFWSA-N 0 2 385.174 1.723 20 5 GDBDLN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000822151373 599695310 /nfs/dbraw/zinc/69/53/10/599695310.db2.gz AYHIMESWQIAZII-UHFFFAOYSA-N 0 2 376.354 1.590 20 5 GDBDLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(=O)[O-])cc1 ZINC000737975743 599859675 /nfs/dbraw/zinc/85/96/75/599859675.db2.gz ZTKFIAGMDGTCKI-QGZVFWFLSA-N 0 2 389.364 1.966 20 5 GDBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000739686004 602494174 /nfs/dbraw/zinc/49/41/74/602494174.db2.gz TVFKFALXFNIJNB-UHFFFAOYSA-N 0 2 379.417 1.151 20 5 GDBDLN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2nc3ncccn3n2)c1 ZINC000503976163 648202509 /nfs/dbraw/zinc/20/25/09/648202509.db2.gz FRDNEFMWEXVDQR-UHFFFAOYSA-N 0 2 399.186 1.596 20 5 GDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cs1 ZINC000768867378 654438527 /nfs/dbraw/zinc/43/85/27/654438527.db2.gz WPVZHJGCLSWQJR-UHFFFAOYSA-N 0 2 388.383 1.770 20 5 GDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(CC(F)(F)F)o1 ZINC000795637916 655184243 /nfs/dbraw/zinc/18/42/43/655184243.db2.gz XMKJJLWFRNIDFV-UHFFFAOYSA-N 0 2 382.276 1.892 20 5 GDBDLN C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594250546 998961468 /nfs/dbraw/zinc/96/14/68/998961468.db2.gz NNOIAHFEOPZAJZ-PWSUYJOCSA-N 0 2 380.357 1.501 20 5 GDBDLN Cc1sc(S(=O)(=O)Nc2cccc(-n3cn[nH]c3=O)c2)cc1[N+](=O)[O-] ZINC000130650680 531063130 /nfs/dbraw/zinc/06/31/30/531063130.db2.gz FYJSKBVVMWJEDV-UHFFFAOYSA-N 0 2 381.395 1.640 20 5 GDBDLN COc1ncc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C(N)=O ZINC000474391336 531274007 /nfs/dbraw/zinc/27/40/07/531274007.db2.gz LXCNJDRLNVDTHK-UHFFFAOYSA-N 0 2 386.773 1.552 20 5 GDBDLN CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000494482255 531607157 /nfs/dbraw/zinc/60/71/57/531607157.db2.gz AKOLXCYLXPAWPD-UHFFFAOYSA-N 0 2 385.423 1.612 20 5 GDBDLN COC(=O)C(C)(C)c1csc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC000600668561 532049339 /nfs/dbraw/zinc/04/93/39/532049339.db2.gz MPYRYNRISMNZDB-UHFFFAOYSA-N 0 2 389.415 1.036 20 5 GDBDLN CS(=O)(=O)N1CCc2c1cccc2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000359864137 212119412 /nfs/dbraw/zinc/11/94/12/212119412.db2.gz AOOVFOAXBVEUJR-UHFFFAOYSA-N 0 2 377.378 1.875 20 5 GDBDLN Cc1ccn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)c1-c1nn[nH]n1 ZINC000822369715 607348775 /nfs/dbraw/zinc/34/87/75/607348775.db2.gz MLDPYPOTVJHSQU-UHFFFAOYSA-N 0 2 389.759 1.537 20 5 GDBDLN O=C1OC(c2ccc(-c3nn[nH]n3)cc2)=NC1=Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000738321713 598379203 /nfs/dbraw/zinc/37/92/03/598379203.db2.gz WXSXZGAPCLOSDC-KPKJPENVSA-N 0 2 378.304 1.825 20 5 GDBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)c1C ZINC000832957821 602209321 /nfs/dbraw/zinc/20/93/21/602209321.db2.gz NADBLEOBDIJMGO-GFCCVEGCSA-N 0 2 385.442 1.381 20 5 GDBDLN CC[C@H](NC(=O)NCC[NH+]1CCN(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000826613627 603637033 /nfs/dbraw/zinc/63/70/33/603637033.db2.gz NEOUVWSSARLSIT-HNNXBMFYSA-N 0 2 379.417 1.641 20 5 GDBDLN O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000833173439 604359769 /nfs/dbraw/zinc/35/97/69/604359769.db2.gz RGAROFHKPHJYTC-MRXNPFEDSA-N 0 2 393.831 1.888 20 5 GDBDLN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@H]21 ZINC000834180674 605323856 /nfs/dbraw/zinc/32/38/56/605323856.db2.gz KPYQEJSJNOYIGE-RAIGVLPGSA-N 0 2 388.380 1.516 20 5 GDBDLN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@H]21 ZINC000834180674 605323862 /nfs/dbraw/zinc/32/38/62/605323862.db2.gz KPYQEJSJNOYIGE-RAIGVLPGSA-N 0 2 388.380 1.516 20 5 GDBDLN COc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1[N+](=O)[O-] ZINC000821846613 606210576 /nfs/dbraw/zinc/21/05/76/606210576.db2.gz WBWKNHISGJQVID-UHFFFAOYSA-N 0 2 392.353 1.290 20 5 GDBDLN CC(C)Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 ZINC000820108953 607154835 /nfs/dbraw/zinc/15/48/35/607154835.db2.gz WKEDLYOZONJUCO-UHFFFAOYSA-N 0 2 392.401 1.428 20 5 GDBDLN Cc1cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc([N+](=O)[O-])c1F ZINC000826272256 607962588 /nfs/dbraw/zinc/96/25/88/607962588.db2.gz APOQFIRDYONCOH-UHFFFAOYSA-N 0 2 394.344 1.729 20 5 GDBDLN COc1ccc(S(=O)(=O)Nc2noc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000548473779 650547141 /nfs/dbraw/zinc/54/71/41/650547141.db2.gz OHELTJGPAUUHKB-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)CCO)cc2)cs1 ZINC000768882693 654440048 /nfs/dbraw/zinc/44/00/48/654440048.db2.gz UTYOMCRIWPMOEH-UHFFFAOYSA-N 0 2 392.436 1.223 20 5 GDBDLN O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776088414 654681653 /nfs/dbraw/zinc/68/16/53/654681653.db2.gz KOLZQMHVXDCDRI-UHFFFAOYSA-N 0 2 378.391 1.961 20 5 GDBDLN Cc1cc(Cl)c(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000776438262 654689916 /nfs/dbraw/zinc/68/99/16/654689916.db2.gz SMNOLFOWGZWLBS-JTQLQIEISA-N 0 2 388.789 1.254 20 5 GDBDLN Cc1cc(Cl)c(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000776438262 654689920 /nfs/dbraw/zinc/68/99/20/654689920.db2.gz SMNOLFOWGZWLBS-JTQLQIEISA-N 0 2 388.789 1.254 20 5 GDBDLN N=C1NC(=O)[C@H](CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)S1 ZINC000787605245 654968695 /nfs/dbraw/zinc/96/86/95/654968695.db2.gz JYSXLXSPUSZOPP-VIFPVBQESA-N 0 2 376.316 1.786 20 5 GDBDLN COc1ccc(CSCC(=O)NCCc2n[nH]c(=S)o2)cc1[N+](=O)[O-] ZINC000841424545 655322800 /nfs/dbraw/zinc/32/28/00/655322800.db2.gz DYUFKEPEDCHZBU-UHFFFAOYSA-N 0 2 384.439 1.867 20 5 GDBDLN Cc1c(C[N@@H+]2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000852734767 955842480 /nfs/dbraw/zinc/84/24/80/955842480.db2.gz CZQNDLXOSWJMQN-AAEUAGOBSA-N 0 2 389.330 1.999 20 5 GDBDLN Cc1c(C[N@H+]2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000852734767 955842492 /nfs/dbraw/zinc/84/24/92/955842492.db2.gz CZQNDLXOSWJMQN-AAEUAGOBSA-N 0 2 389.330 1.999 20 5 GDBDLN O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001574585012 962111096 /nfs/dbraw/zinc/11/10/96/962111096.db2.gz PRYMTDGOKXGMOI-HNNXBMFYSA-N 0 2 396.359 1.912 20 5 GDBDLN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC[N@@H+]1CCC(=O)[O-] ZINC001594490063 985597237 /nfs/dbraw/zinc/59/72/37/985597237.db2.gz VAISWBOJFKRDAF-LBPRGKRZSA-N 0 2 387.396 1.606 20 5 GDBDLN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC[N@H+]1CCC(=O)[O-] ZINC001594490063 985597247 /nfs/dbraw/zinc/59/72/47/985597247.db2.gz VAISWBOJFKRDAF-LBPRGKRZSA-N 0 2 387.396 1.606 20 5 GDBDLN COc1cc(C[N@@H+]2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c([N+](=O)[O-])cc1F ZINC001599407212 997334917 /nfs/dbraw/zinc/33/49/17/997334917.db2.gz JGVWGAQQOAZWFP-NSHDSACASA-N 0 2 379.348 1.869 20 5 GDBDLN COc1cc(C[N@H+]2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c([N+](=O)[O-])cc1F ZINC001599407212 997334923 /nfs/dbraw/zinc/33/49/23/997334923.db2.gz JGVWGAQQOAZWFP-NSHDSACASA-N 0 2 379.348 1.869 20 5 GDBDLN 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/nfs/dbraw/zinc/18/90/83/655189083.db2.gz FLEGRJPFQRGNDA-SNVBAGLBSA-N 0 2 395.840 1.776 20 5 GDBDLN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC000914840292 660155500 /nfs/dbraw/zinc/15/55/00/660155500.db2.gz TWYPDTADPYNXKT-UHFFFAOYSA-N 0 2 375.309 1.969 20 5 GDBDLN O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001574548743 961961544 /nfs/dbraw/zinc/96/15/44/961961544.db2.gz SGDZUEHJJJRIDH-CQSZACIVSA-N 0 2 381.348 1.601 20 5 GDBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC001599622694 994105534 /nfs/dbraw/zinc/10/55/34/994105534.db2.gz ZLJQOPOERITVMY-JQWIXIFHSA-N 0 2 383.426 1.823 20 5 GDBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC001599622694 994105547 /nfs/dbraw/zinc/10/55/47/994105547.db2.gz ZLJQOPOERITVMY-JQWIXIFHSA-N 0 2 383.426 1.823 20 5 GDBDLN COc1c(C)c[nH+]c(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1C ZINC001599334016 997799813 /nfs/dbraw/zinc/79/98/13/997799813.db2.gz UKSBAEHFXMXDKW-UHFFFAOYSA-N 0 2 395.393 1.792 20 5 GDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000045499911 530644782 /nfs/dbraw/zinc/64/47/82/530644782.db2.gz UQQSJTOSZYOOHN-UHFFFAOYSA-N 0 2 387.395 1.052 20 5 GDBDLN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1O)S(=O)(=O)c1cccs1 ZINC000436955623 531288305 /nfs/dbraw/zinc/28/83/05/531288305.db2.gz HEINXLUYKKNSJG-UHFFFAOYSA-N 0 2 385.423 1.412 20 5 GDBDLN COc1ccc(S(N)(=O)=O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000525955519 531301878 /nfs/dbraw/zinc/30/18/78/531301878.db2.gz AHQQRAVBQGKPGI-UHFFFAOYSA-N 0 2 387.395 1.052 20 5 GDBDLN COc1ccc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000278620365 531373369 /nfs/dbraw/zinc/37/33/69/531373369.db2.gz HIFFQZVNIDYIKS-UHFFFAOYSA-N 0 2 381.292 1.558 20 5 GDBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2n[nH]c(C3CC3)n2)c1 ZINC000295180780 531533250 /nfs/dbraw/zinc/53/32/50/531533250.db2.gz BUCXEKBIYGVBQU-UHFFFAOYSA-N 0 2 375.769 1.861 20 5 GDBDLN CCCc1nnc(NS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)s1 ZINC000416415771 531607809 /nfs/dbraw/zinc/60/78/09/531607809.db2.gz JBGXEMMYRLCPEY-UHFFFAOYSA-N 0 2 386.411 1.986 20 5 GDBDLN CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)s1 ZINC000275058528 532258982 /nfs/dbraw/zinc/25/89/82/532258982.db2.gz YBXNMZVQUWCVIB-UHFFFAOYSA-N 0 2 387.399 1.988 20 5 GDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)cc1C ZINC000832904894 601260464 /nfs/dbraw/zinc/26/04/64/601260464.db2.gz FVQVCNWWOPLRMT-CYBMUJFWSA-N 0 2 385.442 1.381 20 5 GDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)cc1C ZINC000832904895 601260608 /nfs/dbraw/zinc/26/06/08/601260608.db2.gz FVQVCNWWOPLRMT-ZDUSSCGKSA-N 0 2 385.442 1.381 20 5 GDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829223889 604183171 /nfs/dbraw/zinc/18/31/71/604183171.db2.gz CRBNIJPIEOZCSF-NEPJUHHUSA-N 0 2 380.401 1.910 20 5 GDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829223889 604183175 /nfs/dbraw/zinc/18/31/75/604183175.db2.gz CRBNIJPIEOZCSF-NEPJUHHUSA-N 0 2 380.401 1.910 20 5 GDBDLN C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](CNC(=O)[O-])C1 ZINC000828513654 604398466 /nfs/dbraw/zinc/39/84/66/604398466.db2.gz OJOMCSIQPBYYEO-ZDUSSCGKSA-N 0 2 378.429 1.916 20 5 GDBDLN C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](CNC(=O)[O-])C1 ZINC000828513654 604398468 /nfs/dbraw/zinc/39/84/68/604398468.db2.gz OJOMCSIQPBYYEO-ZDUSSCGKSA-N 0 2 378.429 1.916 20 5 GDBDLN O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000549452863 650577733 /nfs/dbraw/zinc/57/77/33/650577733.db2.gz ZOPOWWDBAXCUEC-MRVPVSSYSA-N 0 2 387.805 1.640 20 5 GDBDLN CCCc1nsc(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000461725462 647500206 /nfs/dbraw/zinc/50/02/06/647500206.db2.gz CLIHRHVOIGSKNW-UHFFFAOYSA-N 0 2 385.471 1.748 20 5 GDBDLN COC[C@@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000775209544 654662127 /nfs/dbraw/zinc/66/21/27/654662127.db2.gz ONGNLVNAZFJEBR-SNVBAGLBSA-N 0 2 387.292 1.749 20 5 GDBDLN O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)NCCN1CCCC1 ZINC000795776675 655187274 /nfs/dbraw/zinc/18/72/74/655187274.db2.gz XVJHMTTUXDGYNU-UHFFFAOYSA-N 0 2 396.238 1.871 20 5 GDBDLN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C(F)C(F)(F)F ZINC000817644453 655355676 /nfs/dbraw/zinc/35/56/76/655355676.db2.gz VYPYNXVXOKETPY-SNVBAGLBSA-N 0 2 387.311 1.232 20 5 GDBDLN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](F)C(F)(F)F ZINC000817644453 655355678 /nfs/dbraw/zinc/35/56/78/655355678.db2.gz VYPYNXVXOKETPY-SNVBAGLBSA-N 0 2 387.311 1.232 20 5 GDBDLN O=C([O-])CC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001325837701 961061833 /nfs/dbraw/zinc/06/18/33/961061833.db2.gz WGNORPDVTSIJKU-UHFFFAOYSA-N 0 2 377.806 1.029 20 5 GDBDLN O=C([O-])[C@H]1CSCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000598660981 975001089 /nfs/dbraw/zinc/00/10/89/975001089.db2.gz BAWZGCDLBDUSER-GFCCVEGCSA-N 0 2 376.394 1.670 20 5 GDBDLN C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1C(C)(C)C ZINC001598619294 993966956 /nfs/dbraw/zinc/96/69/56/993966956.db2.gz BBSCFOHTMRMKKK-AWEZNQCLSA-N 0 2 385.442 1.644 20 5 GDBDLN C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1C(C)(C)C ZINC001598619294 993966968 /nfs/dbraw/zinc/96/69/68/993966968.db2.gz BBSCFOHTMRMKKK-AWEZNQCLSA-N 0 2 385.442 1.644 20 5 GDBDLN Cc1sc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1[N+](=O)[O-] ZINC000118955629 530919489 /nfs/dbraw/zinc/91/94/89/530919489.db2.gz POMYQRYUGJFKMK-UHFFFAOYSA-N 0 2 380.411 1.956 20 5 GDBDLN C[C@H](C[S@](C)=O)N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000135777043 531112302 /nfs/dbraw/zinc/11/23/02/531112302.db2.gz IAZZYSPXZYFQIK-MXUQEVIESA-N 0 2 375.834 1.203 20 5 GDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000475814362 531306306 /nfs/dbraw/zinc/30/63/06/531306306.db2.gz WSDSILYQYYFFQR-UHFFFAOYSA-N 0 2 387.395 1.203 20 5 GDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ncccn3n2)c(Br)c1 ZINC000442821727 531376414 /nfs/dbraw/zinc/37/64/14/531376414.db2.gz CEIJCPUDPISNKP-UHFFFAOYSA-N 0 2 399.186 1.596 20 5 GDBDLN COc1ccc(S(=O)(=O)Nc2cccc(S(C)(=O)=O)c2)c([N+](=O)[O-])c1 ZINC000485996676 531443060 /nfs/dbraw/zinc/44/30/60/531443060.db2.gz DYSTTWJXOCDWCE-UHFFFAOYSA-N 0 2 386.407 1.808 20 5 GDBDLN NC(=O)COc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000491065915 531547976 /nfs/dbraw/zinc/54/79/76/531547976.db2.gz MWSOJJVODBCMEU-UHFFFAOYSA-N 0 2 385.785 1.913 20 5 GDBDLN COC(=O)CCCc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000569362323 531920537 /nfs/dbraw/zinc/92/05/37/531920537.db2.gz BIAMXSSDNHDROM-UHFFFAOYSA-N 0 2 386.411 1.743 20 5 GDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(NS(N)(=O)=O)c1 ZINC000326840463 532079634 /nfs/dbraw/zinc/07/96/34/532079634.db2.gz LIQXGYMVLOAMME-UHFFFAOYSA-N 0 2 386.411 1.319 20 5 GDBDLN Cc1nc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])nn1C ZINC000427659158 532186892 /nfs/dbraw/zinc/18/68/92/532186892.db2.gz GGXKNLKSEOQACV-UHFFFAOYSA-N 0 2 376.192 1.595 20 5 GDBDLN CCc1nn(CCOc2ccccc2[N+](=O)[O-])c(=O)c(-c2nn[nH]n2)c1CC ZINC000736706382 598379441 /nfs/dbraw/zinc/37/94/41/598379441.db2.gz KJSDIPNUKOXIGO-UHFFFAOYSA-N 0 2 385.384 1.535 20 5 GDBDLN COc1ccc([C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(=O)[O-])cc1 ZINC000737972951 599860668 /nfs/dbraw/zinc/86/06/68/599860668.db2.gz PFDMNTXLGUFXGR-SFHVURJKSA-N 0 2 385.376 1.908 20 5 GDBDLN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000739292907 599967121 /nfs/dbraw/zinc/96/71/21/599967121.db2.gz GUCWHVLBQWWBJH-OAHLLOKOSA-N 0 2 399.359 1.774 20 5 GDBDLN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000739292907 599967125 /nfs/dbraw/zinc/96/71/25/599967125.db2.gz GUCWHVLBQWWBJH-OAHLLOKOSA-N 0 2 399.359 1.774 20 5 GDBDLN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000827385659 601258747 /nfs/dbraw/zinc/25/87/47/601258747.db2.gz MSOAIORATRAKTK-JTQLQIEISA-N 0 2 391.833 1.418 20 5 GDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000829223891 604183325 /nfs/dbraw/zinc/18/33/25/604183325.db2.gz CRBNIJPIEOZCSF-RYUDHWBXSA-N 0 2 380.401 1.910 20 5 GDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000829223891 604183328 /nfs/dbraw/zinc/18/33/28/604183328.db2.gz CRBNIJPIEOZCSF-RYUDHWBXSA-N 0 2 380.401 1.910 20 5 GDBDLN O=C([O-])[C@@]1([NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCOC1 ZINC000833764872 604491302 /nfs/dbraw/zinc/49/13/02/604491302.db2.gz OPJURCFBOMCVRR-MRXNPFEDSA-N 0 2 392.393 1.490 20 5 GDBDLN O=C([O-])N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000834117352 605544090 /nfs/dbraw/zinc/54/40/90/605544090.db2.gz XGUBGAGSIMEIFH-ZDUSSCGKSA-N 0 2 392.412 1.335 20 5 GDBDLN O=C([O-])N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000834117352 605544093 /nfs/dbraw/zinc/54/40/93/605544093.db2.gz XGUBGAGSIMEIFH-ZDUSSCGKSA-N 0 2 392.412 1.335 20 5 GDBDLN CC(C)n1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 ZINC000820211467 607154923 /nfs/dbraw/zinc/15/49/23/607154923.db2.gz NYXYVRQCNLXJLC-UHFFFAOYSA-N 0 2 378.374 1.353 20 5 GDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1-c1nn[nH]n1 ZINC000823648582 607156036 /nfs/dbraw/zinc/15/60/36/607156036.db2.gz XFSYHDOMPYIANB-UHFFFAOYSA-N 0 2 388.369 1.243 20 5 GDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000519633841 648631784 /nfs/dbraw/zinc/63/17/84/648631784.db2.gz ZPSYKHXILOVOMW-UHFFFAOYSA-N 0 2 384.395 1.911 20 5 GDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(CN3CCOCC3)cs2)cs1 ZINC000768850449 654436747 /nfs/dbraw/zinc/43/67/47/654436747.db2.gz QUILNQMVXTWFTA-UHFFFAOYSA-N 0 2 390.468 1.746 20 5 GDBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000770328567 654509398 /nfs/dbraw/zinc/50/93/98/654509398.db2.gz WLSIZGKPMGAKCY-UHFFFAOYSA-N 0 2 393.157 1.381 20 5 GDBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000776436965 654689575 /nfs/dbraw/zinc/68/95/75/654689575.db2.gz FNNRYNZSDNCVFQ-JTQLQIEISA-N 0 2 388.789 1.254 20 5 GDBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000776436965 654689577 /nfs/dbraw/zinc/68/95/77/654689577.db2.gz FNNRYNZSDNCVFQ-JTQLQIEISA-N 0 2 388.789 1.254 20 5 GDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(CCO)c2)ccc1Br ZINC000760343917 655109444 /nfs/dbraw/zinc/10/94/44/655109444.db2.gz JISNXAPYEIXELL-UHFFFAOYSA-N 0 2 391.203 1.347 20 5 GDBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)nn1C ZINC000794074777 655133166 /nfs/dbraw/zinc/13/31/66/655133166.db2.gz PMZSMUWNMDMZTI-UHFFFAOYSA-N 0 2 376.192 1.595 20 5 GDBDLN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000815007161 655277334 /nfs/dbraw/zinc/27/73/34/655277334.db2.gz MVNPRDBPMXSREB-ZJUUUORDSA-N 0 2 393.824 1.529 20 5 GDBDLN