smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000009539889 562973116 /nfs/dbraw/zinc/97/31/16/562973116.db2.gz OLFFIPWORIYCSK-GFCCVEGCSA-N 0 0 449.507 0.307 20 5 ICBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000009539890 562973098 /nfs/dbraw/zinc/97/30/98/562973098.db2.gz OLFFIPWORIYCSK-LBPRGKRZSA-N 0 0 449.507 0.307 20 5 ICBDRN O=[N+]([O-])c1cccnc1N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000014321894 1073046334 /nfs/dbraw/zinc/04/63/34/1073046334.db2.gz MZGHYVJRKIAXCI-UHFFFAOYSA-N 0 0 434.478 0.732 20 5 ICBDRN O=[N+]([O-])c1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(Cl)c1 ZINC000029058005 563073581 /nfs/dbraw/zinc/07/35/81/563073581.db2.gz ONDZUFLVMUCBKV-LSCFUAHRSA-N 0 0 436.812 0.612 20 5 ICBDRN CN1CCN(C(=O)C2CCN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)CC1 ZINC000095605225 563193873 /nfs/dbraw/zinc/19/38/73/563193873.db2.gz FSAIGHFDHLTPGM-UHFFFAOYSA-N 0 0 438.506 0.625 20 5 ICBDRN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C(=O)N(CCOC)CCN2C ZINC001164640155 719277165 /nfs/dbraw/zinc/27/71/65/719277165.db2.gz ODNMCPWBNBFFDE-UHFFFAOYSA-N 0 0 435.481 0.926 20 5 ICBDRN CCOC(=O)c1ccnc(N2CCC3(CC2)C(=O)N(CCOC)CCN3C)c1[N+](=O)[O-] ZINC001164644960 719283045 /nfs/dbraw/zinc/28/30/45/719283045.db2.gz XYFRRTRDCLQOOD-UHFFFAOYSA-N 0 0 435.481 0.926 20 5 ICBDRN COCCN1CCN(C)C2(CCN(c3nc(NC(C)=O)nc(C)c3[N+](=O)[O-])CC2)C1=O ZINC001164644974 719285040 /nfs/dbraw/zinc/28/50/40/719285040.db2.gz YLOZRRGUWLLMAT-UHFFFAOYSA-N 0 0 435.485 0.411 20 5 ICBDRN COC(=O)c1nc(Cl)nc(N2CCn3c(CN4CCOCC4)nnc3C2)c1[N+](=O)[O-] ZINC001164676539 719572973 /nfs/dbraw/zinc/57/29/73/719572973.db2.gz HQQJOHZGUVUBMM-UHFFFAOYSA-N 0 0 438.832 0.269 20 5 ICBDRN COc1cc2ncnc(N3CCn4c(CN5CCOCC5)nnc4C3)c2cc1[N+](=O)[O-] ZINC001164677718 719578683 /nfs/dbraw/zinc/57/86/83/719578683.db2.gz ALMKXPZZHWHJQX-UHFFFAOYSA-N 0 0 426.437 0.991 20 5 ICBDRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001164698821 719853701 /nfs/dbraw/zinc/85/37/01/719853701.db2.gz DWCOPEYSGKDFDY-KPZWWZAWSA-N 0 0 425.442 0.635 20 5 ICBDRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001164698822 719853788 /nfs/dbraw/zinc/85/37/88/719853788.db2.gz DWCOPEYSGKDFDY-KZULUSFZSA-N 0 0 425.442 0.635 20 5 ICBDRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001164698823 719853626 /nfs/dbraw/zinc/85/36/26/719853626.db2.gz DWCOPEYSGKDFDY-SGTLLEGYSA-N 0 0 425.442 0.635 20 5 ICBDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001164698825 719853805 /nfs/dbraw/zinc/85/38/05/719853805.db2.gz DWCOPEYSGKDFDY-XIKOKIGWSA-N 0 0 425.442 0.635 20 5 ICBDRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001164701845 720047834 /nfs/dbraw/zinc/04/78/34/720047834.db2.gz CZQOKKULCAKJOW-UHFFFAOYSA-N 0 0 430.425 0.582 20 5 ICBDRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001164702831 719878794 /nfs/dbraw/zinc/87/87/94/719878794.db2.gz RIRBATPHSWXISR-AUUYWEPGSA-N 0 0 436.469 0.884 20 5 ICBDRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001164702881 719878543 /nfs/dbraw/zinc/87/85/43/719878543.db2.gz RIRBATPHSWXISR-IFXJQAMLSA-N 0 0 436.469 0.884 20 5 ICBDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001164702884 719878853 /nfs/dbraw/zinc/87/88/53/719878853.db2.gz RIRBATPHSWXISR-KUHUBIRLSA-N 0 0 436.469 0.884 20 5 ICBDRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001164702887 719878715 /nfs/dbraw/zinc/87/87/15/719878715.db2.gz RIRBATPHSWXISR-LIRRHRJNSA-N 0 0 436.469 0.884 20 5 ICBDRN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001164704802 719936732 /nfs/dbraw/zinc/93/67/32/719936732.db2.gz SBONWZKOKLFNBX-UHFFFAOYSA-N 0 0 443.464 0.460 20 5 ICBDRN COC(=O)c1cnc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)c([N+](=O)[O-])c1 ZINC001164705312 720048677 /nfs/dbraw/zinc/04/86/77/720048677.db2.gz YEIMPROZVBFGPT-UHFFFAOYSA-N 0 0 443.464 0.460 20 5 ICBDRN COc1nc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc(OC)c1[N+](=O)[O-] ZINC001164708468 719908106 /nfs/dbraw/zinc/90/81/06/719908106.db2.gz DUMIWMXRAGPTIL-UHFFFAOYSA-N 0 0 446.468 0.086 20 5 ICBDRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001164708480 719912052 /nfs/dbraw/zinc/91/20/52/719912052.db2.gz DYMZOACBQZJTON-UHFFFAOYSA-N 0 0 435.872 0.565 20 5 ICBDRN COc1cc(C)nc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)c1[N+](=O)[O-] ZINC001164708862 719906099 /nfs/dbraw/zinc/90/60/99/719906099.db2.gz KTSHGPOTCVHRJS-UHFFFAOYSA-N 0 0 429.481 0.991 20 5 ICBDRN COC(=O)c1ccnc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)c1[N+](=O)[O-] ZINC001164708898 719911608 /nfs/dbraw/zinc/91/16/08/719911608.db2.gz MIIGDVHXFLVMSC-UHFFFAOYSA-N 0 0 443.464 0.460 20 5 ICBDRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2 ZINC001164709189 719914123 /nfs/dbraw/zinc/91/41/23/719914123.db2.gz QDADTYOLTXQVBV-UHFFFAOYSA-N 0 0 435.872 0.565 20 5 ICBDRN COc1nc(C)c([N+](=O)[O-])c(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)n1 ZINC001164709526 719910036 /nfs/dbraw/zinc/91/00/36/719910036.db2.gz XYTGMVLAGMLLKL-UHFFFAOYSA-N 0 0 430.469 0.386 20 5 ICBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)n1 ZINC001164710631 720049668 /nfs/dbraw/zinc/04/96/68/720049668.db2.gz FSWZETLXDTXCFP-UHFFFAOYSA-N 0 0 443.464 0.460 20 5 ICBDRN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@]2(C1)COCCN(CC(=O)NC)C2 ZINC001164721911 720267329 /nfs/dbraw/zinc/26/73/29/720267329.db2.gz MSFZQPZZGCMIHN-FQEVSTJZSA-N 0 0 435.481 0.831 20 5 ICBDRN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(C1)COCCN(CC(=O)NC)C2 ZINC001164721912 720266735 /nfs/dbraw/zinc/26/67/35/720266735.db2.gz MSFZQPZZGCMIHN-HXUWFJFHSA-N 0 0 435.481 0.831 20 5 ICBDRN 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O=C(c1cc2n(n1)CCC[C@@H]2O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001540376289 1071636463 /nfs/dbraw/zinc/63/64/63/1071636463.db2.gz ZTNCWSBRPJEXSE-INIZCTEOSA-N 0 0 435.462 0.765 20 5 ICBDRN O=C(c1cc2n(n1)CCC[C@H]2O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001540376290 1071636448 /nfs/dbraw/zinc/63/64/48/1071636448.db2.gz ZTNCWSBRPJEXSE-MRXNPFEDSA-N 0 0 435.462 0.765 20 5 ICBDRN Nc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1[N+](=O)[O-] ZINC001540429201 1071639884 /nfs/dbraw/zinc/63/98/84/1071639884.db2.gz IPFAQAOBSMHSKI-UHFFFAOYSA-N 0 0 427.389 0.997 20 5 ICBDRN Nc1c(Br)cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1[N+](=O)[O-] ZINC001540429238 1071639901 /nfs/dbraw/zinc/63/99/01/1071639901.db2.gz KFGFEAPYOJUXSN-UHFFFAOYSA-N 0 0 426.271 0.976 20 5 ICBDRN COCCNC(=O)CN1CCN(C(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)CC1 ZINC001540444584 1071640964 /nfs/dbraw/zinc/64/09/64/1071640964.db2.gz UZJRJOBPALTRFZ-UHFFFAOYSA-N 0 0 444.492 0.668 20 5 ICBDRN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001540454456 1071641385 /nfs/dbraw/zinc/64/13/85/1071641385.db2.gz SYTCJNMTPVBPSQ-KRWDZBQOSA-N 0 0 448.501 0.890 20 5 ICBDRN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001540454457 1071641580 /nfs/dbraw/zinc/64/15/80/1071641580.db2.gz SYTCJNMTPVBPSQ-QGZVFWFLSA-N 0 0 448.501 0.890 20 5 ICBDRN COCCNC(=O)CN1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC001540521977 1071646754 /nfs/dbraw/zinc/64/67/54/1071646754.db2.gz AMFXAPKFLYRKFP-UHFFFAOYSA-N 0 0 430.465 0.360 20 5 ICBDRN O=C(CN1CCOCC1)N1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC001540559826 1071652588 /nfs/dbraw/zinc/65/25/88/1071652588.db2.gz PHGRXYVLRNULFZ-UHFFFAOYSA-N 0 0 446.439 0.536 20 5 ICBDRN Nc1c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001540639171 1071661108 /nfs/dbraw/zinc/66/11/08/1071661108.db2.gz FGUPCLCCXAHVAZ-UHFFFAOYSA-N 0 0 427.461 0.947 20 5 ICBDRN O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC001540639437 1071660955 /nfs/dbraw/zinc/66/09/55/1071660955.db2.gz QEKJWORFFICIRT-UHFFFAOYSA-N 0 0 434.449 0.373 20 5 ICBDRN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C(=O)N2CCCCC2)CC1 ZINC001540669876 1071663432 /nfs/dbraw/zinc/66/34/32/1071663432.db2.gz MBAVDKQBSLVMFJ-UHFFFAOYSA-N 0 0 439.494 0.623 20 5 ICBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CS(=O)(=O)C2CC2)CC1 ZINC001540682279 1071664534 /nfs/dbraw/zinc/66/45/34/1071664534.db2.gz DOXZEOVCYIZRHO-UHFFFAOYSA-N 0 0 431.492 0.313 20 5 ICBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2(N3CCOCC3)CC2)CC1 ZINC001540682464 1071664661 /nfs/dbraw/zinc/66/46/61/1071664661.db2.gz LEQNBZVQDVPWIM-UHFFFAOYSA-N 0 0 438.506 0.601 20 5 ICBDRN CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001540686818 1071665019 /nfs/dbraw/zinc/66/50/19/1071665019.db2.gz MWDDIFHCLYAOQC-UHFFFAOYSA-N 0 0 425.463 0.709 20 5 ICBDRN 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C[C@H](CNC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CN1CCOCC1 ZINC001564146295 1073539516 /nfs/dbraw/zinc/53/95/16/1073539516.db2.gz HVNPLOGICBULBU-OAHLLOKOSA-N 0 0 443.526 0.483 20 5 ICBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1C1CCOCC1 ZINC001564532682 1073554153 /nfs/dbraw/zinc/55/41/53/1073554153.db2.gz BHMIWCPPFRSUHW-INIZCTEOSA-N 0 0 426.495 0.921 20 5 ICBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1C1CCOCC1 ZINC001564532683 1073554548 /nfs/dbraw/zinc/55/45/48/1073554548.db2.gz BHMIWCPPFRSUHW-MRXNPFEDSA-N 0 0 426.495 0.921 20 5 ICBDRN CCOc1cc(N2CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC001564797715 1071762934 /nfs/dbraw/zinc/76/29/34/1071762934.db2.gz UOMBCJIPYDABSG-UHFFFAOYSA-N 0 0 444.514 0.221 20 5 ICBDRN CCOc1cc(N2CCN(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001565012750 1071780647 /nfs/dbraw/zinc/78/06/47/1071780647.db2.gz UXFBGCOPRNABCU-AWEZNQCLSA-N 0 0 441.510 0.859 20 5 ICBDRN CCOc1cc(N2CCN(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001565012751 1071780789 /nfs/dbraw/zinc/78/07/89/1071780789.db2.gz UXFBGCOPRNABCU-CQSZACIVSA-N 0 0 441.510 0.859 20 5 ICBDRN CO[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCOC1 ZINC001565052304 1071786576 /nfs/dbraw/zinc/78/65/76/1071786576.db2.gz INTVMKISDUPULV-PBHICJAKSA-N 0 0 442.494 0.662 20 5 ICBDRN CO[C@H](CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCOC1 ZINC001565052305 1071786799 /nfs/dbraw/zinc/78/67/99/1071786799.db2.gz INTVMKISDUPULV-RHSMWYFYSA-N 0 0 442.494 0.662 20 5 ICBDRN CO[C@H](CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCOC1 ZINC001565052306 1071786740 /nfs/dbraw/zinc/78/67/40/1071786740.db2.gz INTVMKISDUPULV-WMLDXEAASA-N 0 0 442.494 0.662 20 5 ICBDRN CO[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCOC1 ZINC001565052307 1071786514 /nfs/dbraw/zinc/78/65/14/1071786514.db2.gz INTVMKISDUPULV-YOEHRIQHSA-N 0 0 442.494 0.662 20 5 ICBDRN 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CC[C@H](CN1CCOCC1)NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001565375365 1071829731 /nfs/dbraw/zinc/82/97/31/1071829731.db2.gz WIDKKSIHXBIGRJ-OAHLLOKOSA-N 0 0 443.526 0.625 20 5 ICBDRN CCOCCOCCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001565395600 1071833302 /nfs/dbraw/zinc/83/33/02/1071833302.db2.gz SVEBEOZTURAGTJ-UHFFFAOYSA-N 0 0 444.510 0.883 20 5 ICBDRN CN1CCN(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)CC2)CC1 ZINC001565622105 1071856123 /nfs/dbraw/zinc/85/61/23/1071856123.db2.gz YPVWZEYQKVDBLT-UHFFFAOYSA-N 0 0 437.522 0.804 20 5 ICBDRN CS(=O)(=O)CCN1CCC(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC001565626585 1071858097 /nfs/dbraw/zinc/85/80/97/1071858097.db2.gz GDWSJRKJFJASFS-UHFFFAOYSA-N 0 0 427.479 0.995 20 5 ICBDRN CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC001565637248 1071859271 /nfs/dbraw/zinc/85/92/71/1071859271.db2.gz XZYCPEWBTSQKDP-UHFFFAOYSA-N 0 0 428.449 0.650 20 5 ICBDRN 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ZINC001587275452 1072261161 /nfs/dbraw/zinc/26/11/61/1072261161.db2.gz MEESOIISWAQIFZ-OAHLLOKOSA-N 0 0 443.478 0.784 20 5 ICBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@H]2COCCN2C)CC1 ZINC001587384780 1072264094 /nfs/dbraw/zinc/26/40/94/1072264094.db2.gz AFZCMIAFTQODRV-KRWDZBQOSA-N 0 0 440.522 0.751 20 5 ICBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2COCCN2C)CC1 ZINC001587384781 1072264018 /nfs/dbraw/zinc/26/40/18/1072264018.db2.gz AFZCMIAFTQODRV-QGZVFWFLSA-N 0 0 440.522 0.751 20 5 ICBDRN CN(CC(=O)N1CCS(=O)(=O)C[C@H]1C(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001587397205 1072265050 /nfs/dbraw/zinc/26/50/50/1072265050.db2.gz IKCTWZBSDINFFR-HNNXBMFYSA-N 0 0 447.535 0.887 20 5 ICBDRN CN(CC(=O)N1CCS(=O)(=O)C[C@@H]1C(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001587397206 1072265008 /nfs/dbraw/zinc/26/50/08/1072265008.db2.gz IKCTWZBSDINFFR-OAHLLOKOSA-N 0 0 447.535 0.887 20 5 ICBDRN COCCNC(=O)CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001587415337 1072266113 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428.449 0.969 20 5 ICBDRN CS(=O)(=O)N1CCCN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC1 ZINC001588073906 1072315048 /nfs/dbraw/zinc/31/50/48/1072315048.db2.gz RRSUWVNKQJMQNG-UHFFFAOYSA-N 0 0 432.405 0.527 20 5 ICBDRN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001588114605 1072318610 /nfs/dbraw/zinc/31/86/10/1072318610.db2.gz UXNHHHCRODFPRJ-HNNXBMFYSA-N 0 0 427.465 0.944 20 5 ICBDRN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001588114606 1072318730 /nfs/dbraw/zinc/31/87/30/1072318730.db2.gz UXNHHHCRODFPRJ-OAHLLOKOSA-N 0 0 427.465 0.944 20 5 ICBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001588127068 1072319804 /nfs/dbraw/zinc/31/98/04/1072319804.db2.gz ZFLXOMOQXZAWKZ-UHFFFAOYSA-N 0 0 438.384 0.400 20 5 ICBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)CC2(CCOCC2)C1 ZINC001588184726 1072323488 /nfs/dbraw/zinc/32/34/88/1072323488.db2.gz NDLDQFOPYLRAAQ-HNNXBMFYSA-N 0 0 427.479 0.653 20 5 ICBDRN 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1072557402 /nfs/dbraw/zinc/55/74/02/1072557402.db2.gz VNWAULKFMFLQNP-UOJCXKCYSA-N 0 0 425.463 0.668 20 5 ICBDRN O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001597455793 1072557980 /nfs/dbraw/zinc/55/79/80/1072557980.db2.gz VNWAULKFMFLQNP-WNOSKKOXSA-N 0 0 425.463 0.668 20 5 ICBDRN O=C(c1cc([N+](=O)[O-])ccc1I)N1CCN2CCOC[C@@]2(CO)C1 ZINC001597554211 1072562790 /nfs/dbraw/zinc/56/27/90/1072562790.db2.gz KLCXCOKYVDKLBO-HNNXBMFYSA-N 0 0 447.229 0.719 20 5 ICBDRN O=C(c1cc([N+](=O)[O-])ccc1I)N1CCN2CCOC[C@]2(CO)C1 ZINC001597554214 1072562824 /nfs/dbraw/zinc/56/28/24/1072562824.db2.gz KLCXCOKYVDKLBO-OAHLLOKOSA-N 0 0 447.229 0.719 20 5 ICBDRN CS(=O)(=O)N1CCN(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001597586445 1072565223 /nfs/dbraw/zinc/56/52/23/1072565223.db2.gz LUXBZRYRKQGNFH-UHFFFAOYSA-N 0 0 435.300 0.664 20 5 ICBDRN COC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001597654093 1072568531 /nfs/dbraw/zinc/56/85/31/1072568531.db2.gz 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BQZQKVQKQLPQQD-PBHICJAKSA-N 0 0 436.490 0.875 20 5 ICBDRN O=C(N[C@@H]1CC(=O)N(CC2CC2)C1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001598108051 1072603629 /nfs/dbraw/zinc/60/36/29/1072603629.db2.gz BQZQKVQKQLPQQD-RHSMWYFYSA-N 0 0 436.490 0.875 20 5 ICBDRN O=C(N[C@H]1CC(=O)N(CC2CC2)C1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001598108052 1072603564 /nfs/dbraw/zinc/60/35/64/1072603564.db2.gz BQZQKVQKQLPQQD-WMLDXEAASA-N 0 0 436.490 0.875 20 5 ICBDRN O=C(N[C@H]1CC(=O)N(CC2CC2)C1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001598108053 1072603357 /nfs/dbraw/zinc/60/33/57/1072603357.db2.gz BQZQKVQKQLPQQD-YOEHRIQHSA-N 0 0 436.490 0.875 20 5 ICBDRN CC(C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001598123543 1072604835 /nfs/dbraw/zinc/60/48/35/1072604835.db2.gz XJHHJQGOOBSTED-INIZCTEOSA-N 0 0 442.480 0.839 20 5 ICBDRN CC(C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001598123545 1072604732 /nfs/dbraw/zinc/60/47/32/1072604732.db2.gz XJHHJQGOOBSTED-MRXNPFEDSA-N 0 0 442.480 0.839 20 5 ICBDRN CS(C)(=O)=NS(=O)(=O)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001598125866 1072604745 /nfs/dbraw/zinc/60/47/45/1072604745.db2.gz LLLJBJZLILPIGX-UHFFFAOYSA-N 0 0 432.524 0.985 20 5 ICBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC[C@H]1C[C@H]1CCOC1 ZINC001598208787 1072611381 /nfs/dbraw/zinc/61/13/81/1072611381.db2.gz RTMXKETVZRMTJF-GDBMZVCRSA-N 0 0 427.479 0.917 20 5 ICBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC001598208788 1072611228 /nfs/dbraw/zinc/61/12/28/1072611228.db2.gz RTMXKETVZRMTJF-GOEBONIOSA-N 0 0 427.479 0.917 20 5 ICBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC001598208789 1072611365 /nfs/dbraw/zinc/61/13/65/1072611365.db2.gz RTMXKETVZRMTJF-HOCLYGCPSA-N 0 0 427.479 0.917 20 5 ICBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC[C@@H]1C[C@H]1CCOC1 ZINC001598208790 1072611370 /nfs/dbraw/zinc/61/13/70/1072611370.db2.gz RTMXKETVZRMTJF-ZBFHGGJFSA-N 0 0 427.479 0.917 20 5 ICBDRN O=C(NCc1nnc2n1CCNC2=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001598401257 1072621908 /nfs/dbraw/zinc/62/19/08/1072621908.db2.gz JFABLLOOQDNUEV-UHFFFAOYSA-N 0 0 442.173 0.464 20 5 ICBDRN CC(=O)N1CCN(c2ccc(C(=O)NCC[C@@H]3CCCS3(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001598402418 1072621788 /nfs/dbraw/zinc/62/17/88/1072621788.db2.gz UEMVOJZJAFYESC-INIZCTEOSA-N 0 0 438.506 0.960 20 5 ICBDRN CC(=O)N1CCN(c2ccc(C(=O)NCC[C@H]3CCCS3(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001598402419 1072621895 /nfs/dbraw/zinc/62/18/95/1072621895.db2.gz UEMVOJZJAFYESC-MRXNPFEDSA-N 0 0 438.506 0.960 20 5 ICBDRN O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC2(C1)CCNC(=O)O2 ZINC001598425601 1072623780 /nfs/dbraw/zinc/62/37/80/1072623780.db2.gz JKXQVQVWFVKOMA-HNNXBMFYSA-N 0 0 438.462 0.849 20 5 ICBDRN O=C([C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC2(C1)CCNC(=O)O2 ZINC001598425602 1072623698 /nfs/dbraw/zinc/62/36/98/1072623698.db2.gz JKXQVQVWFVKOMA-OAHLLOKOSA-N 0 0 438.462 0.849 20 5 ICBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001602761421 1072632165 /nfs/dbraw/zinc/63/21/65/1072632165.db2.gz KBXPMSNKLSXNAK-KGLIPLIRSA-N 0 0 428.467 0.792 20 5 ICBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[C@@H](O)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001606692502 1072664808 /nfs/dbraw/zinc/66/48/08/1072664808.db2.gz NQTYCRBZNQSJKW-DZGCQCFKSA-N 0 0 433.458 0.935 20 5 ICBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[C@H](O)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001606692503 1072664788 /nfs/dbraw/zinc/66/47/88/1072664788.db2.gz NQTYCRBZNQSJKW-HIFRSBDPSA-N 0 0 433.458 0.935 20 5 ICBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[C@@H](O)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001606692504 1072664773 /nfs/dbraw/zinc/66/47/73/1072664773.db2.gz NQTYCRBZNQSJKW-UKRRQHHQSA-N 0 0 433.458 0.935 20 5 ICBDRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[C@H](O)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001606692505 1072664810 /nfs/dbraw/zinc/66/48/10/1072664810.db2.gz NQTYCRBZNQSJKW-ZFWWWQNUSA-N 0 0 433.458 0.935 20 5 ICBDRN Cc1cc(C(=O)NCC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)ccc1[N+](=O)[O-] ZINC001607601239 1072681313 /nfs/dbraw/zinc/68/13/13/1072681313.db2.gz SWDLHXULKAUMND-UHFFFAOYSA-N 0 0 425.463 0.439 20 5 ICBDRN CN1CCN(C(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC001607896723 1072687841 /nfs/dbraw/zinc/68/78/41/1072687841.db2.gz JZARQAQMPGPKGN-UHFFFAOYSA-N 0 0 432.218 0.703 20 5 ICBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001610176899 1072735217 /nfs/dbraw/zinc/73/52/17/1072735217.db2.gz DGHOZBXIJOGHLC-KBPBESRZSA-N 0 0 437.396 0.529 20 5 ICBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001610177019 1072735131 /nfs/dbraw/zinc/73/51/31/1072735131.db2.gz DGHOZBXIJOGHLC-KGLIPLIRSA-N 0 0 437.396 0.529 20 5 ICBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001610177024 1072735604 /nfs/dbraw/zinc/73/56/04/1072735604.db2.gz DGHOZBXIJOGHLC-UONOGXRCSA-N 0 0 437.396 0.529 20 5 ICBDRN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001610177030 1072735585 /nfs/dbraw/zinc/73/55/85/1072735585.db2.gz DGHOZBXIJOGHLC-ZIAGYGMSSA-N 0 0 437.396 0.529 20 5 ICBDRN O=C(NCCO[C@@H]1CCOC1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001611116601 1072759598 /nfs/dbraw/zinc/75/95/98/1072759598.db2.gz NITKJBSGHOPMAA-GDBMZVCRSA-N 0 0 427.479 0.917 20 5 ICBDRN O=C(NCCO[C@@H]1CCOC1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001611116602 1072759934 /nfs/dbraw/zinc/75/99/34/1072759934.db2.gz NITKJBSGHOPMAA-GOEBONIOSA-N 0 0 427.479 0.917 20 5 ICBDRN O=C(NCCO[C@H]1CCOC1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001611116603 1072760046 /nfs/dbraw/zinc/76/00/46/1072760046.db2.gz NITKJBSGHOPMAA-HOCLYGCPSA-N 0 0 427.479 0.917 20 5 ICBDRN O=C(NCCO[C@H]1CCOC1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001611116604 1072760035 /nfs/dbraw/zinc/76/00/35/1072760035.db2.gz NITKJBSGHOPMAA-ZBFHGGJFSA-N 0 0 427.479 0.917 20 5 ICBDRN O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001611123472 1072760377 /nfs/dbraw/zinc/76/03/77/1072760377.db2.gz CLJYNWAROBGSFM-DLBZAZTESA-N 0 0 446.485 0.884 20 5 ICBDRN O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001611123473 1072760280 /nfs/dbraw/zinc/76/02/80/1072760280.db2.gz CLJYNWAROBGSFM-IAGOWNOFSA-N 0 0 446.485 0.884 20 5 ICBDRN O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001611123474 1072760214 /nfs/dbraw/zinc/76/02/14/1072760214.db2.gz CLJYNWAROBGSFM-IRXDYDNUSA-N 0 0 446.485 0.884 20 5 ICBDRN O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001611123475 1072760452 /nfs/dbraw/zinc/76/04/52/1072760452.db2.gz CLJYNWAROBGSFM-SJORKVTESA-N 0 0 446.485 0.884 20 5 ICBDRN CC(C)Oc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC001611125181 1072761745 /nfs/dbraw/zinc/76/17/45/1072761745.db2.gz WMLVRRVHHFPIOK-GDBMZVCRSA-N 0 0 427.479 0.610 20 5 ICBDRN CC(C)Oc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC001611125182 1072761655 /nfs/dbraw/zinc/76/16/55/1072761655.db2.gz WMLVRRVHHFPIOK-GOEBONIOSA-N 0 0 427.479 0.610 20 5 ICBDRN CC(C)Oc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC001611125183 1072761578 /nfs/dbraw/zinc/76/15/78/1072761578.db2.gz WMLVRRVHHFPIOK-HOCLYGCPSA-N 0 0 427.479 0.610 20 5 ICBDRN CC(C)Oc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC001611125184 1072761573 /nfs/dbraw/zinc/76/15/73/1072761573.db2.gz WMLVRRVHHFPIOK-ZBFHGGJFSA-N 0 0 427.479 0.610 20 5 ICBDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001611176072 1072763558 /nfs/dbraw/zinc/76/35/58/1072763558.db2.gz XWOJDCWQSSIDRF-GOSISDBHSA-N 0 0 434.474 0.885 20 5 ICBDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001611176088 1072763585 /nfs/dbraw/zinc/76/35/85/1072763585.db2.gz XWOJDCWQSSIDRF-SFHVURJKSA-N 0 0 434.474 0.885 20 5 ICBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC001611250930 1072766405 /nfs/dbraw/zinc/76/64/05/1072766405.db2.gz IAWQOUPMDMTMLL-PBHICJAKSA-N 0 0 438.506 0.906 20 5 ICBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC001611250931 1072766248 /nfs/dbraw/zinc/76/62/48/1072766248.db2.gz IAWQOUPMDMTMLL-RHSMWYFYSA-N 0 0 438.506 0.906 20 5 ICBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC001611250932 1072766284 /nfs/dbraw/zinc/76/62/84/1072766284.db2.gz IAWQOUPMDMTMLL-WMLDXEAASA-N 0 0 438.506 0.906 20 5 ICBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC001611250933 1072766430 /nfs/dbraw/zinc/76/64/30/1072766430.db2.gz IAWQOUPMDMTMLL-YOEHRIQHSA-N 0 0 438.506 0.906 20 5 ICBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccn1CCN1CCOCC1 ZINC001611283135 1072767290 /nfs/dbraw/zinc/76/72/90/1072767290.db2.gz CMSRBHYRYBFJEY-UHFFFAOYSA-N 0 0 436.490 0.932 20 5 ICBDRN CC(C)NS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC001611434766 1072776820 /nfs/dbraw/zinc/77/68/20/1072776820.db2.gz YQVFREITITYAJK-UHFFFAOYSA-N 0 0 441.510 0.432 20 5 ICBDRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001611568146 1072786088 /nfs/dbraw/zinc/78/60/88/1072786088.db2.gz VOBRCHNVYQWDIC-UHFFFAOYSA-N 0 0 438.242 0.257 20 5 ICBDRN Cc1nn(C)c(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC001611602230 1072790672 /nfs/dbraw/zinc/79/06/72/1072790672.db2.gz PFQWQXZAVVPVHU-UHFFFAOYSA-N 0 0 436.494 0.373 20 5 ICBDRN O=C(CN1C(=O)CCC1=O)N1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001611834194 1072858647 /nfs/dbraw/zinc/85/86/47/1072858647.db2.gz SANQXKRDEFGPTE-UHFFFAOYSA-N 0 0 432.824 0.989 20 5 ICBDRN O=[N+]([O-])c1c2ccncc2ccc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001612067311 1072867756 /nfs/dbraw/zinc/86/77/56/1072867756.db2.gz RHHAHIRJHVZGFT-AWEZNQCLSA-N 0 0 440.503 0.782 20 5 ICBDRN O=[N+]([O-])c1c2ccncc2ccc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001612067312 1072867689 /nfs/dbraw/zinc/86/76/89/1072867689.db2.gz RHHAHIRJHVZGFT-CQSZACIVSA-N 0 0 440.503 0.782 20 5 ICBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC001612381128 1072882123 /nfs/dbraw/zinc/88/21/23/1072882123.db2.gz FJEAIDDDDGIBHA-UHFFFAOYSA-N 0 0 434.496 0.784 20 5 ICBDRN COC[C@]1(CO)CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1 ZINC001612391708 1072882946 /nfs/dbraw/zinc/88/29/46/1072882946.db2.gz NSHJPICBGKBOQF-GOSISDBHSA-N 0 0 428.511 0.366 20 5 ICBDRN COC[C@@]1(CO)CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1 ZINC001612391711 1072882932 /nfs/dbraw/zinc/88/29/32/1072882932.db2.gz NSHJPICBGKBOQF-SFHVURJKSA-N 0 0 428.511 0.366 20 5 ICBDRN CCOC(=O)C1([S@@](C)=O)CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC001612396920 1072882914 /nfs/dbraw/zinc/88/29/14/1072882914.db2.gz SYLPDKWXDBKGFI-HHHXNRCGSA-N 0 0 433.508 0.784 20 5 ICBDRN CCOC(=O)C1([S@](C)=O)CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC001612396921 1072883045 /nfs/dbraw/zinc/88/30/45/1072883045.db2.gz SYLPDKWXDBKGFI-MHZLTWQESA-N 0 0 433.508 0.784 20 5 ICBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC(C2CS(=O)(=O)C2)C1 ZINC001612403767 1072883485 /nfs/dbraw/zinc/88/34/85/1072883485.db2.gz CGLZDBMOOVIMAQ-UHFFFAOYSA-N 0 0 431.492 0.097 20 5 ICBDRN CN(C)C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 ZINC001612409540 1072883935 /nfs/dbraw/zinc/88/39/35/1072883935.db2.gz CMQLLUAOPUSXRO-AWEZNQCLSA-N 0 0 428.467 0.893 20 5 ICBDRN CN(C)C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 ZINC001612409541 1072883865 /nfs/dbraw/zinc/88/38/65/1072883865.db2.gz CMQLLUAOPUSXRO-CQSZACIVSA-N 0 0 428.467 0.893 20 5 ICBDRN CON1CCC(N(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 ZINC001612457106 1072891317 /nfs/dbraw/zinc/89/13/17/1072891317.db2.gz IFCKQHAERLFDOO-UHFFFAOYSA-N 0 0 427.527 0.993 20 5 ICBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NC1CC(N2CCOCC2)C1 ZINC001612522599 1072901803 /nfs/dbraw/zinc/90/18/03/1072901803.db2.gz FGAOIFBTHPWSDJ-UHFFFAOYSA-N 0 0 426.495 0.891 20 5 ICBDRN O=[N+]([O-])c1ccc(N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(S(=O)(=O)N2CCCC2)c1 ZINC001612533229 1072902671 /nfs/dbraw/zinc/90/26/71/1072902671.db2.gz VCZUIXBIGQAZEJ-KRWDZBQOSA-N 0 0 445.519 0.773 20 5 ICBDRN O=[N+]([O-])c1ccc(N2CCO[C@]3(CCS(=O)(=O)C3)C2)c(S(=O)(=O)N2CCCC2)c1 ZINC001612533230 1072902685 /nfs/dbraw/zinc/90/26/85/1072902685.db2.gz VCZUIXBIGQAZEJ-QGZVFWFLSA-N 0 0 445.519 0.773 20 5 ICBDRN Cc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001612568972 1072904134 /nfs/dbraw/zinc/90/41/34/1072904134.db2.gz UCEVNHLNECLMSW-AWEZNQCLSA-N 0 0 438.514 0.814 20 5 ICBDRN Cc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001612568973 1072904072 /nfs/dbraw/zinc/90/40/72/1072904072.db2.gz UCEVNHLNECLMSW-CQSZACIVSA-N 0 0 438.514 0.814 20 5 ICBDRN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CS1(=O)=O ZINC001612580349 1072905521 /nfs/dbraw/zinc/90/55/21/1072905521.db2.gz APDDMZUHKJPTDG-CHWSQXEVSA-N 0 0 433.508 0.993 20 5 ICBDRN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CS1(=O)=O ZINC001612580350 1072905526 /nfs/dbraw/zinc/90/55/26/1072905526.db2.gz APDDMZUHKJPTDG-OLZOCXBDSA-N 0 0 433.508 0.993 20 5 ICBDRN C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CS1(=O)=O ZINC001612580351 1072905593 /nfs/dbraw/zinc/90/55/93/1072905593.db2.gz APDDMZUHKJPTDG-QWHCGFSZSA-N 0 0 433.508 0.993 20 5 ICBDRN C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CS1(=O)=O ZINC001612580352 1072905559 /nfs/dbraw/zinc/90/55/59/1072905559.db2.gz APDDMZUHKJPTDG-STQMWFEESA-N 0 0 433.508 0.993 20 5 ICBDRN C[C@@H]1CC[C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CS1(=O)=O ZINC001612580745 1072905506 /nfs/dbraw/zinc/90/55/06/1072905506.db2.gz RPOXYIBJGRVFHM-CHWSQXEVSA-N 0 0 433.508 0.993 20 5 ICBDRN C[C@@H]1CC[C@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CS1(=O)=O ZINC001612580746 1072905537 /nfs/dbraw/zinc/90/55/37/1072905537.db2.gz RPOXYIBJGRVFHM-OLZOCXBDSA-N 0 0 433.508 0.993 20 5 ICBDRN C[C@H]1CC[C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CS1(=O)=O ZINC001612580747 1072905582 /nfs/dbraw/zinc/90/55/82/1072905582.db2.gz RPOXYIBJGRVFHM-QWHCGFSZSA-N 0 0 433.508 0.993 20 5 ICBDRN C[C@H]1CC[C@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CS1(=O)=O ZINC001612580748 1072905447 /nfs/dbraw/zinc/90/54/47/1072905447.db2.gz RPOXYIBJGRVFHM-STQMWFEESA-N 0 0 433.508 0.993 20 5 ICBDRN CO[C@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001612597502 1072908881 /nfs/dbraw/zinc/90/88/81/1072908881.db2.gz FERRYAIZZBGPBY-KBXCAEBGSA-N 0 0 428.511 0.994 20 5 ICBDRN CO[C@@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001612597503 1072909013 /nfs/dbraw/zinc/90/90/13/1072909013.db2.gz FERRYAIZZBGPBY-KDOFPFPSSA-N 0 0 428.511 0.994 20 5 ICBDRN 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