smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(CNC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+]1CCOCC1 ZINC000027231392 1077834936 /nfs/dbraw/zinc/83/49/36/1077834936.db2.gz VHCGOZPRKISOLV-UHFFFAOYSA-N 1 2 406.487 0.339 20 5 HCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000030004135 1077250086 /nfs/dbraw/zinc/25/00/86/1077250086.db2.gz TWZQJQJUBQPXSQ-UHFFFAOYSA-N 1 2 406.468 0.875 20 5 HCBDLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000030424343 1077272665 /nfs/dbraw/zinc/27/26/65/1077272665.db2.gz OWQGMVOYFSYFLD-UHFFFAOYSA-N 1 2 414.484 0.872 20 5 HCBDLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000030424512 1077272540 /nfs/dbraw/zinc/27/25/40/1077272540.db2.gz NPXOWWWPUJOYJT-UHFFFAOYSA-N 1 2 414.484 0.872 20 5 HCBDLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000030424613 1077272634 /nfs/dbraw/zinc/27/26/34/1077272634.db2.gz UOERGHIIDQIQKC-UHFFFAOYSA-N 1 2 414.484 0.872 20 5 HCBDLO Cc1sc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000030695240 1077291118 /nfs/dbraw/zinc/29/11/18/1077291118.db2.gz DKSWBPHRZHAERP-UHFFFAOYSA-N 1 2 417.513 0.215 20 5 HCBDLO NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1=O ZINC000031813232 1077476449 /nfs/dbraw/zinc/47/64/49/1077476449.db2.gz JUBZPHCJMAGTLK-UHFFFAOYSA-N 1 2 405.436 0.261 20 5 HCBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031939643 1077560595 /nfs/dbraw/zinc/56/05/95/1077560595.db2.gz SHINAFIETNPZJT-SFHVURJKSA-N 1 2 408.480 0.649 20 5 HCBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031939645 1077560775 /nfs/dbraw/zinc/56/07/75/1077560775.db2.gz SHINAFIETNPZJT-GOSISDBHSA-N 1 2 408.480 0.649 20 5 HCBDLO CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000032163133 1077740155 /nfs/dbraw/zinc/74/01/55/1077740155.db2.gz JYZNXZGBGGEMTE-UHFFFAOYSA-N 1 2 408.440 0.345 20 5 HCBDLO O=C(CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000032253384 1077813799 /nfs/dbraw/zinc/81/37/99/1077813799.db2.gz ZRFITHFASCYAOM-CYBMUJFWSA-N 1 2 421.435 0.204 20 5 HCBDLO O=C(CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N[C@H]1CCS(=O)(=O)C1 ZINC000032253387 1077813781 /nfs/dbraw/zinc/81/37/81/1077813781.db2.gz ZRFITHFASCYAOM-ZDUSSCGKSA-N 1 2 421.435 0.204 20 5 HCBDLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000032436082 1077866077 /nfs/dbraw/zinc/86/60/77/1077866077.db2.gz PDKJXDCTHDVNRH-UHFFFAOYSA-N 1 2 414.484 0.872 20 5 HCBDLO O=C(c1cc([N+](=O)[O-])ccc1I)N1CC[NH+](CCO)CC1 ZINC000035248473 1074653264 /nfs/dbraw/zinc/65/32/64/1074653264.db2.gz ZUSYBPUIPVTNHQ-UHFFFAOYSA-N 1 2 405.192 0.950 20 5 HCBDLO O=C(C(=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000055900249 1080224294 /nfs/dbraw/zinc/22/42/94/1080224294.db2.gz JDYPWDIVLSMJRX-UHFFFAOYSA-N 1 2 406.439 0.367 20 5 HCBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000063466466 1074370406 /nfs/dbraw/zinc/37/04/06/1074370406.db2.gz HQJWGRQKZZTYSR-UHFFFAOYSA-N 1 2 411.484 0.153 20 5 HCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063863260 1074475688 /nfs/dbraw/zinc/47/56/88/1074475688.db2.gz RFNYSHXWHQDDRH-ZDUSSCGKSA-N 1 2 400.457 0.100 20 5 HCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000064245203 1078329002 /nfs/dbraw/zinc/32/90/02/1078329002.db2.gz YHFBHGUBIHRVQF-UHFFFAOYSA-N 1 2 412.497 0.937 20 5 HCBDLO COCCn1c(N)c(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(=O)[nH]c1=O ZINC000064350136 1079258614 /nfs/dbraw/zinc/25/86/14/1079258614.db2.gz INPCYYCETIGNEB-UHFFFAOYSA-N 1 2 419.438 0.767 20 5 HCBDLO COCCn1c(N)c(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(=O)[nH]c1=O ZINC000064350136 1079258607 /nfs/dbraw/zinc/25/86/07/1079258607.db2.gz INPCYYCETIGNEB-UHFFFAOYSA-N 1 2 419.438 0.767 20 5 HCBDLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000139750184 1079395989 /nfs/dbraw/zinc/39/59/89/1079395989.db2.gz ZCRDGLKOYKLLQG-UHFFFAOYSA-N 1 2 411.484 0.153 20 5 HCBDLO CCc1nn(C)c(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1[N+](=O)[O-] ZINC000301941682 1081102601 /nfs/dbraw/zinc/10/26/01/1081102601.db2.gz WHMZTYAWYBPKRI-UHFFFAOYSA-N 1 2 402.459 0.844 20 5 HCBDLO CCc1nn(C)c(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000301941682 1081102598 /nfs/dbraw/zinc/10/25/98/1081102598.db2.gz WHMZTYAWYBPKRI-UHFFFAOYSA-N 1 2 402.459 0.844 20 5 HCBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443262542 1075543398 /nfs/dbraw/zinc/54/33/98/1075543398.db2.gz NRKCUECPMSSJDM-UHFFFAOYSA-N 1 2 404.464 0.402 20 5 HCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)c(F)c1 ZINC000443267542 1075549313 /nfs/dbraw/zinc/54/93/13/1075549313.db2.gz DOBIGPZDGGWUIW-UHFFFAOYSA-N 1 2 404.464 0.402 20 5 HCBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000443269863 1075549686 /nfs/dbraw/zinc/54/96/86/1075549686.db2.gz CHZVPOSQEVEQOU-UHFFFAOYSA-N 1 2 420.919 0.917 20 5 HCBDLO CCOC1CC(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)([NH+]2CCOCC2)C1 ZINC000443954064 1077294495 /nfs/dbraw/zinc/29/44/95/1077294495.db2.gz AXQKKZOANTVEOH-UHFFFAOYSA-N 1 2 414.484 0.924 20 5 HCBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000460767099 1077269979 /nfs/dbraw/zinc/26/99/79/1077269979.db2.gz DTCYRMNTWFJPQS-UHFFFAOYSA-N 1 2 411.484 0.153 20 5 HCBDLO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CC[C@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000462413526 1075386202 /nfs/dbraw/zinc/38/62/02/1075386202.db2.gz XRMXNRBXIQJSRE-CYBMUJFWSA-N 1 2 413.452 0.709 20 5 HCBDLO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CC[C@@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000462413527 1075386271 /nfs/dbraw/zinc/38/62/71/1075386271.db2.gz XRMXNRBXIQJSRE-ZDUSSCGKSA-N 1 2 413.452 0.709 20 5 HCBDLO COC(=O)CNC(=O)c1ccc(N2CC[NH+](Cc3cnn(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000462822675 1075529089 /nfs/dbraw/zinc/52/90/89/1075529089.db2.gz WEBOCENBZDRVON-UHFFFAOYSA-N 1 2 416.438 0.553 20 5 HCBDLO COCCN1CCN(c2nc(N3CC[NH+](CCOC)CC3)sc2[N+](=O)[O-])CC1 ZINC000462919059 1075555413 /nfs/dbraw/zinc/55/54/13/1075555413.db2.gz LYEUNGPROUTHJM-UHFFFAOYSA-N 1 2 414.532 0.588 20 5 HCBDLO COc1cc(CCNS(=O)(=O)CCC[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000463333933 1075697695 /nfs/dbraw/zinc/69/76/95/1075697695.db2.gz GWDGGTFVZGIIMK-UHFFFAOYSA-N 1 2 417.484 0.796 20 5 HCBDLO COc1cc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)c([N+](=O)[O-])cc1F ZINC000463442107 1075742733 /nfs/dbraw/zinc/74/27/33/1075742733.db2.gz SVRGIUASWCCIJM-UHFFFAOYSA-N 1 2 424.385 0.756 20 5 HCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000463697546 1075797353 /nfs/dbraw/zinc/79/73/53/1075797353.db2.gz ACVYUBIAVGHZQF-UHFFFAOYSA-N 1 2 407.452 0.632 20 5 HCBDLO CN(CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000463729625 1075802793 /nfs/dbraw/zinc/80/27/93/1075802793.db2.gz CLIYMBREZBMITD-HNNXBMFYSA-N 1 2 405.455 0.080 20 5 HCBDLO CN(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000463729626 1075802773 /nfs/dbraw/zinc/80/27/73/1075802773.db2.gz CLIYMBREZBMITD-OAHLLOKOSA-N 1 2 405.455 0.080 20 5 HCBDLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000464197008 1075878791 /nfs/dbraw/zinc/87/87/91/1075878791.db2.gz DFNAHVXELBVGOR-UHFFFAOYSA-N 1 2 421.479 0.928 20 5 HCBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464318892 1075889727 /nfs/dbraw/zinc/88/97/27/1075889727.db2.gz YNWFLXJBHPCDJI-QGZVFWFLSA-N 1 2 405.455 0.717 20 5 HCBDLO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000487673001 1077325428 /nfs/dbraw/zinc/32/54/28/1077325428.db2.gz GRKNEPXYMJKPEV-UHFFFAOYSA-N 1 2 416.419 0.884 20 5 HCBDLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000487781189 1077562485 /nfs/dbraw/zinc/56/24/85/1077562485.db2.gz JIEJQPVIYLVRNW-LLVKDONJSA-N 1 2 408.411 0.153 20 5 HCBDLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000487781189 1077562479 /nfs/dbraw/zinc/56/24/79/1077562479.db2.gz JIEJQPVIYLVRNW-LLVKDONJSA-N 1 2 408.411 0.153 20 5 HCBDLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000487781194 1077562578 /nfs/dbraw/zinc/56/25/78/1077562578.db2.gz JIEJQPVIYLVRNW-NSHDSACASA-N 1 2 408.411 0.153 20 5 HCBDLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000487781194 1077562572 /nfs/dbraw/zinc/56/25/72/1077562572.db2.gz JIEJQPVIYLVRNW-NSHDSACASA-N 1 2 408.411 0.153 20 5 HCBDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000487788274 1077600264 /nfs/dbraw/zinc/60/02/64/1077600264.db2.gz VSRWNLRDGREQLF-UHFFFAOYSA-N 1 2 422.438 0.809 20 5 HCBDLO COC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c(C)c([N+](=O)[O-])c1 ZINC000487827995 1077699212 /nfs/dbraw/zinc/69/92/12/1077699212.db2.gz BEJDXKWZMQOXOY-NSHDSACASA-N 1 2 408.411 0.153 20 5 HCBDLO COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(C)c([N+](=O)[O-])c1 ZINC000487850897 1077746847 /nfs/dbraw/zinc/74/68/47/1077746847.db2.gz MJMKEDQYAYSVAC-GFCCVEGCSA-N 1 2 401.379 0.956 20 5 HCBDLO COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C)c([N+](=O)[O-])c1 ZINC000487850898 1077746809 /nfs/dbraw/zinc/74/68/09/1077746809.db2.gz MJMKEDQYAYSVAC-LBPRGKRZSA-N 1 2 401.379 0.956 20 5 HCBDLO CNS(=O)(=O)c1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000488006751 1077957825 /nfs/dbraw/zinc/95/78/25/1077957825.db2.gz ADJKJIUVCFTXQW-UHFFFAOYSA-N 1 2 410.456 0.775 20 5 HCBDLO CCCN(CCC)S(=O)(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000488165964 1078120387 /nfs/dbraw/zinc/12/03/87/1078120387.db2.gz MGTFQAJYEARFAK-INIZCTEOSA-N 1 2 418.520 0.137 20 5 HCBDLO CCCN(CCC)S(=O)(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000488165965 1078120227 /nfs/dbraw/zinc/12/02/27/1078120227.db2.gz MGTFQAJYEARFAK-MRXNPFEDSA-N 1 2 418.520 0.137 20 5 HCBDLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000488171685 1078125116 /nfs/dbraw/zinc/12/51/16/1078125116.db2.gz ZHQUDHAPIGLRLZ-NEPJUHHUSA-N 1 2 403.395 0.967 20 5 HCBDLO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000488171686 1078125010 /nfs/dbraw/zinc/12/50/10/1078125010.db2.gz ZHQUDHAPIGLRLZ-NWDGAFQWSA-N 1 2 403.395 0.967 20 5 HCBDLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000488171687 1078125245 /nfs/dbraw/zinc/12/52/45/1078125245.db2.gz ZHQUDHAPIGLRLZ-RYUDHWBXSA-N 1 2 403.395 0.967 20 5 HCBDLO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000488171688 1078125160 /nfs/dbraw/zinc/12/51/60/1078125160.db2.gz ZHQUDHAPIGLRLZ-VXGBXAGGSA-N 1 2 403.395 0.967 20 5 HCBDLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(=O)[nH]c1=O ZINC000489026674 1080618603 /nfs/dbraw/zinc/61/86/03/1080618603.db2.gz QGNOZULLQRTCKA-UHFFFAOYSA-N 1 2 419.442 0.812 20 5 HCBDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000491221979 1074578226 /nfs/dbraw/zinc/57/82/26/1074578226.db2.gz BUOGMSKVDREMHZ-UHFFFAOYSA-N 1 2 402.354 0.925 20 5 HCBDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000491246660 1074817800 /nfs/dbraw/zinc/81/78/00/1074817800.db2.gz IYEKNTWYYRCTGR-UHFFFAOYSA-N 1 2 408.411 0.485 20 5 HCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000491281206 1075438860 /nfs/dbraw/zinc/43/88/60/1075438860.db2.gz DJXBTBGEEBJVCV-UHFFFAOYSA-N 1 2 404.420 0.231 20 5 HCBDLO COc1c(F)cc(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000491587896 1077256488 /nfs/dbraw/zinc/25/64/88/1077256488.db2.gz CPBZXIGHCSMCOM-UHFFFAOYSA-N 1 2 418.447 0.527 20 5 HCBDLO COc1c(F)cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000491594352 1077252509 /nfs/dbraw/zinc/25/25/09/1077252509.db2.gz PGOBVEFOHBBMLH-GFCCVEGCSA-N 1 2 404.464 0.904 20 5 HCBDLO COc1c(F)cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000491594353 1077252609 /nfs/dbraw/zinc/25/26/09/1077252609.db2.gz PGOBVEFOHBBMLH-LBPRGKRZSA-N 1 2 404.464 0.904 20 5 HCBDLO Cc1cc(C)c(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000491843533 1077266622 /nfs/dbraw/zinc/26/66/22/1077266622.db2.gz FJOCWJXQFAITHZ-UHFFFAOYSA-N 1 2 424.483 0.887 20 5 HCBDLO C[C@@H](c1cccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1)[NH+]1CCOCC1 ZINC000492278493 1077285021 /nfs/dbraw/zinc/28/50/21/1077285021.db2.gz VWDIMFIGXYXDPN-AWEZNQCLSA-N 1 2 416.438 0.939 20 5 HCBDLO C[C@H](c1cccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1)[NH+]1CCOCC1 ZINC000492278495 1077284881 /nfs/dbraw/zinc/28/48/81/1077284881.db2.gz VWDIMFIGXYXDPN-CQSZACIVSA-N 1 2 416.438 0.939 20 5 HCBDLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)c2)CC1 ZINC000492352315 1077288575 /nfs/dbraw/zinc/28/85/75/1077288575.db2.gz AHYPFLFTDGXIIJ-UHFFFAOYSA-N 1 2 415.454 0.294 20 5 HCBDLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000492601076 1077300812 /nfs/dbraw/zinc/30/08/12/1077300812.db2.gz JOXZBWKQHBNWIV-CYBMUJFWSA-N 1 2 401.427 0.948 20 5 HCBDLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000492601076 1077300809 /nfs/dbraw/zinc/30/08/09/1077300809.db2.gz JOXZBWKQHBNWIV-CYBMUJFWSA-N 1 2 401.427 0.948 20 5 HCBDLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000492601077 1077300891 /nfs/dbraw/zinc/30/08/91/1077300891.db2.gz JOXZBWKQHBNWIV-ZDUSSCGKSA-N 1 2 401.427 0.948 20 5 HCBDLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000492601077 1077300886 /nfs/dbraw/zinc/30/08/86/1077300886.db2.gz JOXZBWKQHBNWIV-ZDUSSCGKSA-N 1 2 401.427 0.948 20 5 HCBDLO Cn1c(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)ccc1[N+](=O)[O-] ZINC000492759812 1077312793 /nfs/dbraw/zinc/31/27/93/1077312793.db2.gz XSHIVANFHCTLER-AWEZNQCLSA-N 1 2 415.454 0.959 20 5 HCBDLO Cn1c(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000492759812 1077312791 /nfs/dbraw/zinc/31/27/91/1077312791.db2.gz XSHIVANFHCTLER-AWEZNQCLSA-N 1 2 415.454 0.959 20 5 HCBDLO Cn1c(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)ccc1[N+](=O)[O-] ZINC000492759813 1077312745 /nfs/dbraw/zinc/31/27/45/1077312745.db2.gz XSHIVANFHCTLER-CQSZACIVSA-N 1 2 415.454 0.959 20 5 HCBDLO Cn1c(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000492759813 1077312740 /nfs/dbraw/zinc/31/27/40/1077312740.db2.gz XSHIVANFHCTLER-CQSZACIVSA-N 1 2 415.454 0.959 20 5 HCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492808355 1077314971 /nfs/dbraw/zinc/31/49/71/1077314971.db2.gz NKPBVNXGSTWGPR-AWEZNQCLSA-N 1 2 416.442 0.203 20 5 HCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492808355 1077314967 /nfs/dbraw/zinc/31/49/67/1077314967.db2.gz NKPBVNXGSTWGPR-AWEZNQCLSA-N 1 2 416.442 0.203 20 5 HCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000492808356 1077314925 /nfs/dbraw/zinc/31/49/25/1077314925.db2.gz NKPBVNXGSTWGPR-CQSZACIVSA-N 1 2 416.442 0.203 20 5 HCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000492808356 1077314920 /nfs/dbraw/zinc/31/49/20/1077314920.db2.gz NKPBVNXGSTWGPR-CQSZACIVSA-N 1 2 416.442 0.203 20 5 HCBDLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000492828742 1077315915 /nfs/dbraw/zinc/31/59/15/1077315915.db2.gz JTFZRCBBGQSSAP-CYBMUJFWSA-N 1 2 401.427 0.948 20 5 HCBDLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000492828742 1077315907 /nfs/dbraw/zinc/31/59/07/1077315907.db2.gz JTFZRCBBGQSSAP-CYBMUJFWSA-N 1 2 401.427 0.948 20 5 HCBDLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000492828743 1077315748 /nfs/dbraw/zinc/31/57/48/1077315748.db2.gz JTFZRCBBGQSSAP-ZDUSSCGKSA-N 1 2 401.427 0.948 20 5 HCBDLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000492828743 1077315745 /nfs/dbraw/zinc/31/57/45/1077315745.db2.gz JTFZRCBBGQSSAP-ZDUSSCGKSA-N 1 2 401.427 0.948 20 5 HCBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000494194052 1077438499 /nfs/dbraw/zinc/43/84/99/1077438499.db2.gz FASDEDGHFBHWFD-AWEZNQCLSA-N 1 2 423.495 0.987 20 5 HCBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000494194052 1077438490 /nfs/dbraw/zinc/43/84/90/1077438490.db2.gz FASDEDGHFBHWFD-AWEZNQCLSA-N 1 2 423.495 0.987 20 5 HCBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000494194053 1077438162 /nfs/dbraw/zinc/43/81/62/1077438162.db2.gz FASDEDGHFBHWFD-CQSZACIVSA-N 1 2 423.495 0.987 20 5 HCBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000494194053 1077438147 /nfs/dbraw/zinc/43/81/47/1077438147.db2.gz FASDEDGHFBHWFD-CQSZACIVSA-N 1 2 423.495 0.987 20 5 HCBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000494197451 1077439634 /nfs/dbraw/zinc/43/96/34/1077439634.db2.gz FPQIELQFECXRAV-GOSISDBHSA-N 1 2 417.466 0.925 20 5 HCBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000494197451 1077439618 /nfs/dbraw/zinc/43/96/18/1077439618.db2.gz FPQIELQFECXRAV-GOSISDBHSA-N 1 2 417.466 0.925 20 5 HCBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000494197452 1077439761 /nfs/dbraw/zinc/43/97/61/1077439761.db2.gz FPQIELQFECXRAV-SFHVURJKSA-N 1 2 417.466 0.925 20 5 HCBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000494197452 1077439753 /nfs/dbraw/zinc/43/97/53/1077439753.db2.gz FPQIELQFECXRAV-SFHVURJKSA-N 1 2 417.466 0.925 20 5 HCBDLO CNC(=O)CCOC1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000494980039 1077690629 /nfs/dbraw/zinc/69/06/29/1077690629.db2.gz NSRRAJZDGJCTKO-UHFFFAOYSA-N 1 2 408.411 0.879 20 5 HCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495200187 1077756121 /nfs/dbraw/zinc/75/61/21/1077756121.db2.gz IEWQHRDPVZDXQC-AWEZNQCLSA-N 1 2 416.442 0.203 20 5 HCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495200187 1077756105 /nfs/dbraw/zinc/75/61/05/1077756105.db2.gz IEWQHRDPVZDXQC-AWEZNQCLSA-N 1 2 416.442 0.203 20 5 HCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495200188 1077756033 /nfs/dbraw/zinc/75/60/33/1077756033.db2.gz IEWQHRDPVZDXQC-CQSZACIVSA-N 1 2 416.442 0.203 20 5 HCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495200188 1077756023 /nfs/dbraw/zinc/75/60/23/1077756023.db2.gz IEWQHRDPVZDXQC-CQSZACIVSA-N 1 2 416.442 0.203 20 5 HCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000496988022 1078111704 /nfs/dbraw/zinc/11/17/04/1078111704.db2.gz KGNDXEZVZWCAOJ-AWEZNQCLSA-N 1 2 404.423 0.673 20 5 HCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000496988024 1078111330 /nfs/dbraw/zinc/11/13/30/1078111330.db2.gz KGNDXEZVZWCAOJ-CQSZACIVSA-N 1 2 404.423 0.673 20 5 HCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000496988079 1078111749 /nfs/dbraw/zinc/11/17/49/1078111749.db2.gz KTAKDGFXIFGTPI-GFCCVEGCSA-N 1 2 414.846 0.130 20 5 HCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000496988085 1078111428 /nfs/dbraw/zinc/11/14/28/1078111428.db2.gz KTAKDGFXIFGTPI-LBPRGKRZSA-N 1 2 414.846 0.130 20 5 HCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000497021171 1078118438 /nfs/dbraw/zinc/11/84/38/1078118438.db2.gz QVLNVASQEFMJKF-INIZCTEOSA-N 1 2 403.439 0.760 20 5 HCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000497021178 1078118629 /nfs/dbraw/zinc/11/86/29/1078118629.db2.gz QVLNVASQEFMJKF-MRXNPFEDSA-N 1 2 403.439 0.760 20 5 HCBDLO Cc1c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000497048096 1078123502 /nfs/dbraw/zinc/12/35/02/1078123502.db2.gz BZYVRLVQCLUCQV-INIZCTEOSA-N 1 2 404.427 0.249 20 5 HCBDLO Cc1c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000497048102 1078123522 /nfs/dbraw/zinc/12/35/22/1078123522.db2.gz BZYVRLVQCLUCQV-MRXNPFEDSA-N 1 2 404.427 0.249 20 5 HCBDLO CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000497351344 1078209644 /nfs/dbraw/zinc/20/96/44/1078209644.db2.gz OASGDCOHTLWBPH-INIZCTEOSA-N 1 2 410.496 0.583 20 5 HCBDLO CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000497351345 1078209887 /nfs/dbraw/zinc/20/98/87/1078209887.db2.gz OASGDCOHTLWBPH-MRXNPFEDSA-N 1 2 410.496 0.583 20 5 HCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000497639267 1078299133 /nfs/dbraw/zinc/29/91/33/1078299133.db2.gz VNIIPQHSNMDMKO-UHFFFAOYSA-N 1 2 410.496 0.963 20 5 HCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000497639267 1078299127 /nfs/dbraw/zinc/29/91/27/1078299127.db2.gz VNIIPQHSNMDMKO-UHFFFAOYSA-N 1 2 410.496 0.963 20 5 HCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498341584 1078519038 /nfs/dbraw/zinc/51/90/38/1078519038.db2.gz RYSKYVYNUNLKJW-UHFFFAOYSA-N 1 2 420.470 0.064 20 5 HCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498341584 1078519027 /nfs/dbraw/zinc/51/90/27/1078519027.db2.gz RYSKYVYNUNLKJW-UHFFFAOYSA-N 1 2 420.470 0.064 20 5 HCBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000498372285 1078548809 /nfs/dbraw/zinc/54/88/09/1078548809.db2.gz GTBLVHCBGFSGKE-UHFFFAOYSA-N 1 2 400.439 0.933 20 5 HCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498719005 1078839232 /nfs/dbraw/zinc/83/92/32/1078839232.db2.gz DKSAWRNDELIKAL-UHFFFAOYSA-N 1 2 401.427 0.432 20 5 HCBDLO O=C(CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498742551 1078850475 /nfs/dbraw/zinc/85/04/75/1078850475.db2.gz BCGUIKVZMJIWMD-UHFFFAOYSA-N 1 2 400.395 0.559 20 5 HCBDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000498894588 1078936056 /nfs/dbraw/zinc/93/60/56/1078936056.db2.gz UXBREYWQVAANDG-UHFFFAOYSA-N 1 2 418.439 0.246 20 5 HCBDLO NS(=O)(=O)c1cccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000498911819 1078949747 /nfs/dbraw/zinc/94/97/47/1078949747.db2.gz QPXUAUJJRUGNLE-HNNXBMFYSA-N 1 2 402.498 0.862 20 5 HCBDLO NS(=O)(=O)c1cccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000498911820 1078950043 /nfs/dbraw/zinc/95/00/43/1078950043.db2.gz QPXUAUJJRUGNLE-OAHLLOKOSA-N 1 2 402.498 0.862 20 5 HCBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000499952269 1081327253 /nfs/dbraw/zinc/32/72/53/1081327253.db2.gz FPQLFVPGPORUAG-UHFFFAOYSA-N 1 2 416.434 0.784 20 5 HCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000509021544 1081359018 /nfs/dbraw/zinc/35/90/18/1081359018.db2.gz IGIDKHSVQOAMLU-UHFFFAOYSA-N 1 2 406.468 0.875 20 5 HCBDLO CCn1cc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000534070037 1074547926 /nfs/dbraw/zinc/54/79/26/1074547926.db2.gz IBIHNLAJKZVCGL-CABCVRRESA-N 1 2 409.468 0.725 20 5 HCBDLO CCn1cc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000534070037 1074547914 /nfs/dbraw/zinc/54/79/14/1074547914.db2.gz IBIHNLAJKZVCGL-CABCVRRESA-N 1 2 409.468 0.725 20 5 HCBDLO CCn1cc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000534070038 1074548219 /nfs/dbraw/zinc/54/82/19/1074548219.db2.gz IBIHNLAJKZVCGL-GJZGRUSLSA-N 1 2 409.468 0.725 20 5 HCBDLO CCn1cc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000534070038 1074548210 /nfs/dbraw/zinc/54/82/10/1074548210.db2.gz IBIHNLAJKZVCGL-GJZGRUSLSA-N 1 2 409.468 0.725 20 5 HCBDLO CCn1cc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000534070039 1074548056 /nfs/dbraw/zinc/54/80/56/1074548056.db2.gz IBIHNLAJKZVCGL-HUUCEWRRSA-N 1 2 409.468 0.725 20 5 HCBDLO CCn1cc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000534070039 1074548050 /nfs/dbraw/zinc/54/80/50/1074548050.db2.gz IBIHNLAJKZVCGL-HUUCEWRRSA-N 1 2 409.468 0.725 20 5 HCBDLO CCn1cc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000534070040 1074547877 /nfs/dbraw/zinc/54/78/77/1074547877.db2.gz IBIHNLAJKZVCGL-LSDHHAIUSA-N 1 2 409.468 0.725 20 5 HCBDLO CCn1cc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000534070040 1074547865 /nfs/dbraw/zinc/54/78/65/1074547865.db2.gz IBIHNLAJKZVCGL-LSDHHAIUSA-N 1 2 409.468 0.725 20 5 HCBDLO CNS(=O)(=O)c1ccccc1N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000534136782 1074574690 /nfs/dbraw/zinc/57/46/90/1074574690.db2.gz JRXBBYDAUSAODV-UHFFFAOYSA-N 1 2 421.479 0.487 20 5 HCBDLO CC(C)(CNC(=O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)[NH+]1CCOCC1 ZINC000534399663 1074612424 /nfs/dbraw/zinc/61/24/24/1074612424.db2.gz RVTSIALACBBJJI-UHFFFAOYSA-N 1 2 405.411 0.639 20 5 HCBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000534482837 1074629973 /nfs/dbraw/zinc/62/99/73/1074629973.db2.gz BCFNUGQPCZBIDG-CYBMUJFWSA-N 1 2 422.467 0.806 20 5 HCBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000534482838 1074630008 /nfs/dbraw/zinc/63/00/08/1074630008.db2.gz BCFNUGQPCZBIDG-ZDUSSCGKSA-N 1 2 422.467 0.806 20 5 HCBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000534484847 1074630706 /nfs/dbraw/zinc/63/07/06/1074630706.db2.gz QVXGZQBQVCGQML-CYBMUJFWSA-N 1 2 422.467 0.806 20 5 HCBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000534484858 1074630576 /nfs/dbraw/zinc/63/05/76/1074630576.db2.gz QVXGZQBQVCGQML-ZDUSSCGKSA-N 1 2 422.467 0.806 20 5 HCBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000534696461 1074677200 /nfs/dbraw/zinc/67/72/00/1074677200.db2.gz ORBQQOGBQKWRBQ-UHFFFAOYSA-N 1 2 416.438 0.421 20 5 HCBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000534745356 1074699805 /nfs/dbraw/zinc/69/98/05/1074699805.db2.gz MUPBCFOXNBHAPA-GFCCVEGCSA-N 1 2 402.411 0.590 20 5 HCBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000534745359 1074700014 /nfs/dbraw/zinc/70/00/14/1074700014.db2.gz MUPBCFOXNBHAPA-LBPRGKRZSA-N 1 2 402.411 0.590 20 5 HCBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c([N+](=O)[O-])c1 ZINC000534860775 1074726695 /nfs/dbraw/zinc/72/66/95/1074726695.db2.gz SFNLRSYKUSFYIV-LLVKDONJSA-N 1 2 405.411 0.947 20 5 HCBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c([N+](=O)[O-])c1 ZINC000534860778 1074726657 /nfs/dbraw/zinc/72/66/57/1074726657.db2.gz SFNLRSYKUSFYIV-NSHDSACASA-N 1 2 405.411 0.947 20 5 HCBDLO O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CC[NH+](CCO)CC1 ZINC000535023818 1074747183 /nfs/dbraw/zinc/74/71/83/1074747183.db2.gz YYESKJVMRVZMJW-UHFFFAOYSA-N 1 2 405.192 0.950 20 5 HCBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc(I)cc([N+](=O)[O-])c1 ZINC000535033184 1074749411 /nfs/dbraw/zinc/74/94/11/1074749411.db2.gz QXLWVVCDSFHAOP-CYBMUJFWSA-N 1 2 416.219 0.929 20 5 HCBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc(I)cc([N+](=O)[O-])c1 ZINC000535033202 1074749449 /nfs/dbraw/zinc/74/94/49/1074749449.db2.gz QXLWVVCDSFHAOP-ZDUSSCGKSA-N 1 2 416.219 0.929 20 5 HCBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000535406881 1074800025 /nfs/dbraw/zinc/80/00/25/1074800025.db2.gz NRVNCPMDHZALIW-HNNXBMFYSA-N 1 2 415.450 0.668 20 5 HCBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000535406882 1074800079 /nfs/dbraw/zinc/80/00/79/1074800079.db2.gz NRVNCPMDHZALIW-OAHLLOKOSA-N 1 2 415.450 0.668 20 5 HCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000535565966 1075092632 /nfs/dbraw/zinc/09/26/32/1075092632.db2.gz HMWRDUNABBNAFA-LLVKDONJSA-N 1 2 405.411 0.947 20 5 HCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000535565968 1075092686 /nfs/dbraw/zinc/09/26/86/1075092686.db2.gz HMWRDUNABBNAFA-NSHDSACASA-N 1 2 405.411 0.947 20 5 HCBDLO O=C(NCCN1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1)c1ccccc1F ZINC000535584092 1075305793 /nfs/dbraw/zinc/30/57/93/1075305793.db2.gz BHMYBDADOLEASE-UHFFFAOYSA-N 1 2 417.441 0.943 20 5 HCBDLO COc1ccc(NC(=O)CC[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000539577084 1075384652 /nfs/dbraw/zinc/38/46/52/1075384652.db2.gz ZNNRORNKRRLVNN-LBPRGKRZSA-N 1 2 400.457 0.898 20 5 HCBDLO COc1ccc(NC(=O)CC[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000539577084 1075384649 /nfs/dbraw/zinc/38/46/49/1075384649.db2.gz ZNNRORNKRRLVNN-LBPRGKRZSA-N 1 2 400.457 0.898 20 5 HCBDLO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000539797534 1075467607 /nfs/dbraw/zinc/46/76/07/1075467607.db2.gz NYETWMFULPUCOU-HNNXBMFYSA-N 1 2 407.423 0.929 20 5 HCBDLO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000539797535 1075467547 /nfs/dbraw/zinc/46/75/47/1075467547.db2.gz NYETWMFULPUCOU-OAHLLOKOSA-N 1 2 407.423 0.929 20 5 HCBDLO CCn1cc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000539859421 1075491212 /nfs/dbraw/zinc/49/12/12/1075491212.db2.gz WZBKQFKYRNORCT-CVEARBPZSA-N 1 2 423.495 0.973 20 5 HCBDLO CCn1cc(S(=O)(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000539859421 1075491209 /nfs/dbraw/zinc/49/12/09/1075491209.db2.gz WZBKQFKYRNORCT-CVEARBPZSA-N 1 2 423.495 0.973 20 5 HCBDLO CCn1cc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c([N+](=O)[O-])n1 ZINC000539859422 1075491270 /nfs/dbraw/zinc/49/12/70/1075491270.db2.gz WZBKQFKYRNORCT-HOTGVXAUSA-N 1 2 423.495 0.973 20 5 HCBDLO CCn1cc(S(=O)(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c([N+](=O)[O-])n1 ZINC000539859422 1075491262 /nfs/dbraw/zinc/49/12/62/1075491262.db2.gz WZBKQFKYRNORCT-HOTGVXAUSA-N 1 2 423.495 0.973 20 5 HCBDLO CCn1cc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000539859423 1075491375 /nfs/dbraw/zinc/49/13/75/1075491375.db2.gz WZBKQFKYRNORCT-HZPDHXFCSA-N 1 2 423.495 0.973 20 5 HCBDLO CCn1cc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000539859423 1075491372 /nfs/dbraw/zinc/49/13/72/1075491372.db2.gz WZBKQFKYRNORCT-HZPDHXFCSA-N 1 2 423.495 0.973 20 5 HCBDLO CCn1cc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c([N+](=O)[O-])n1 ZINC000539859424 1075491398 /nfs/dbraw/zinc/49/13/98/1075491398.db2.gz WZBKQFKYRNORCT-JKSUJKDBSA-N 1 2 423.495 0.973 20 5 HCBDLO CCn1cc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c([N+](=O)[O-])n1 ZINC000539859424 1075491396 /nfs/dbraw/zinc/49/13/96/1075491396.db2.gz WZBKQFKYRNORCT-JKSUJKDBSA-N 1 2 423.495 0.973 20 5 HCBDLO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000539920496 1075507750 /nfs/dbraw/zinc/50/77/50/1075507750.db2.gz DXSZLGKWDGKNON-UHFFFAOYSA-N 1 2 405.436 0.617 20 5 HCBDLO CNS(=O)(=O)NC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000539921185 1075514620 /nfs/dbraw/zinc/51/46/20/1075514620.db2.gz YSXASIZXMHEEDY-UHFFFAOYSA-N 1 2 408.440 0.439 20 5 HCBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C)C1 ZINC000540446223 1075671278 /nfs/dbraw/zinc/67/12/78/1075671278.db2.gz QGZDOGCDJQFFDM-CYBMUJFWSA-N 1 2 402.411 0.885 20 5 HCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C)C1 ZINC000540446223 1075671273 /nfs/dbraw/zinc/67/12/73/1075671273.db2.gz QGZDOGCDJQFFDM-CYBMUJFWSA-N 1 2 402.411 0.885 20 5 HCBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)C1 ZINC000540446225 1075671415 /nfs/dbraw/zinc/67/14/15/1075671415.db2.gz QGZDOGCDJQFFDM-ZDUSSCGKSA-N 1 2 402.411 0.885 20 5 HCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)C1 ZINC000540446225 1075671412 /nfs/dbraw/zinc/67/14/12/1075671412.db2.gz QGZDOGCDJQFFDM-ZDUSSCGKSA-N 1 2 402.411 0.885 20 5 HCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540567281 1075712961 /nfs/dbraw/zinc/71/29/61/1075712961.db2.gz YZWFQQUSSRWBEP-UHFFFAOYSA-N 1 2 419.463 0.909 20 5 HCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000540588109 1075733868 /nfs/dbraw/zinc/73/38/68/1075733868.db2.gz XIBOVXGIJHIQMK-CYBMUJFWSA-N 1 2 422.467 0.629 20 5 HCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000540588110 1075733844 /nfs/dbraw/zinc/73/38/44/1075733844.db2.gz XIBOVXGIJHIQMK-ZDUSSCGKSA-N 1 2 422.467 0.629 20 5 HCBDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)ccn2)CC1 ZINC000540623591 1075748904 /nfs/dbraw/zinc/74/89/04/1075748904.db2.gz HHEIDTCWDRUBPX-UHFFFAOYSA-N 1 2 400.395 0.178 20 5 HCBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540624388 1075748724 /nfs/dbraw/zinc/74/87/24/1075748724.db2.gz YNNJEZPKOVIJID-UHFFFAOYSA-N 1 2 401.427 0.911 20 5 HCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000540676269 1075762309 /nfs/dbraw/zinc/76/23/09/1075762309.db2.gz RVDHOPGYINNXEH-LBPRGKRZSA-N 1 2 400.457 0.898 20 5 HCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000540676269 1075762303 /nfs/dbraw/zinc/76/23/03/1075762303.db2.gz RVDHOPGYINNXEH-LBPRGKRZSA-N 1 2 400.457 0.898 20 5 HCBDLO O=C1C(=O)N(CCOc2ccc([N+](=O)[O-])cc2)C(=O)N1CCC[NH+]1CCOCC1 ZINC000540729137 1075770078 /nfs/dbraw/zinc/77/00/78/1075770078.db2.gz BROYNOJHWBMMOX-UHFFFAOYSA-N 1 2 406.395 0.487 20 5 HCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000541148062 1075851730 /nfs/dbraw/zinc/85/17/30/1075851730.db2.gz KOGVCKQIKHWQKK-UHFFFAOYSA-N 1 2 405.455 0.303 20 5 HCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000541148062 1075851727 /nfs/dbraw/zinc/85/17/27/1075851727.db2.gz KOGVCKQIKHWQKK-UHFFFAOYSA-N 1 2 405.455 0.303 20 5 HCBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541350708 1075878115 /nfs/dbraw/zinc/87/81/15/1075878115.db2.gz BZRMBUYMUOHDQB-IRXDYDNUSA-N 1 2 406.483 0.963 20 5 HCBDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541350708 1075878113 /nfs/dbraw/zinc/87/81/13/1075878113.db2.gz BZRMBUYMUOHDQB-IRXDYDNUSA-N 1 2 406.483 0.963 20 5 HCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cn(Cc3cccnc3)nn2)c1 ZINC000541389365 1075881984 /nfs/dbraw/zinc/88/19/84/1075881984.db2.gz IUQKPYGPFHDMPI-UHFFFAOYSA-N 1 2 417.451 0.698 20 5 HCBDLO CC(=O)N1CCN(c2ccc(C(=O)NCCc3c[nH+]cn3C)cc2[N+](=O)[O-])CC1 ZINC000542516999 1077657134 /nfs/dbraw/zinc/65/71/34/1077657134.db2.gz XERUYZIPXVANNC-UHFFFAOYSA-N 1 2 400.439 0.969 20 5 HCBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000542731155 1080262272 /nfs/dbraw/zinc/26/22/72/1080262272.db2.gz DQDOHPYKMWYECF-UHFFFAOYSA-N 1 2 424.483 0.887 20 5 HCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cn(Cc3cccnc3)nn2)cc1 ZINC000543176380 1081020422 /nfs/dbraw/zinc/02/04/22/1081020422.db2.gz AFHIYMVMHBSRFS-UHFFFAOYSA-N 1 2 417.451 0.698 20 5 HCBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000543184837 1081026528 /nfs/dbraw/zinc/02/65/28/1081026528.db2.gz RIXAQDDWFHRLFJ-GFCCVEGCSA-N 1 2 401.441 0.628 20 5 HCBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000543184838 1081026724 /nfs/dbraw/zinc/02/67/24/1081026724.db2.gz RIXAQDDWFHRLFJ-LBPRGKRZSA-N 1 2 401.441 0.628 20 5 HCBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000543194337 1081037814 /nfs/dbraw/zinc/03/78/14/1081037814.db2.gz MDSHMRIEOLHILU-UHFFFAOYSA-N 1 2 413.452 0.867 20 5 HCBDLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000543207412 1081043784 /nfs/dbraw/zinc/04/37/84/1081043784.db2.gz BYOAJMYJKLWZNS-DLBZAZTESA-N 1 2 422.482 0.199 20 5 HCBDLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000543207415 1081043739 /nfs/dbraw/zinc/04/37/39/1081043739.db2.gz BYOAJMYJKLWZNS-IAGOWNOFSA-N 1 2 422.482 0.199 20 5 HCBDLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000543207416 1081043659 /nfs/dbraw/zinc/04/36/59/1081043659.db2.gz BYOAJMYJKLWZNS-IRXDYDNUSA-N 1 2 422.482 0.199 20 5 HCBDLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000543207417 1081043847 /nfs/dbraw/zinc/04/38/47/1081043847.db2.gz BYOAJMYJKLWZNS-SJORKVTESA-N 1 2 422.482 0.199 20 5 HCBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000552149275 1079448184 /nfs/dbraw/zinc/44/81/84/1079448184.db2.gz BHYXVUHTIBWGCJ-OAHLLOKOSA-N 1 2 415.450 0.886 20 5 HCBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000552149299 1079448455 /nfs/dbraw/zinc/44/84/55/1079448455.db2.gz CYMSLZIIQXUCNC-AWEZNQCLSA-N 1 2 401.423 0.496 20 5 HCBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000552149300 1079448364 /nfs/dbraw/zinc/44/83/64/1079448364.db2.gz CYMSLZIIQXUCNC-CQSZACIVSA-N 1 2 401.423 0.496 20 5 HCBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000552167777 1079448878 /nfs/dbraw/zinc/44/88/78/1079448878.db2.gz ILKNVERNQOQSSU-CYBMUJFWSA-N 1 2 420.422 0.321 20 5 HCBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000552167777 1079448869 /nfs/dbraw/zinc/44/88/69/1079448869.db2.gz ILKNVERNQOQSSU-CYBMUJFWSA-N 1 2 420.422 0.321 20 5 HCBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000552167778 1079448806 /nfs/dbraw/zinc/44/88/06/1079448806.db2.gz ILKNVERNQOQSSU-ZDUSSCGKSA-N 1 2 420.422 0.321 20 5 HCBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000552167778 1079448803 /nfs/dbraw/zinc/44/88/03/1079448803.db2.gz ILKNVERNQOQSSU-ZDUSSCGKSA-N 1 2 420.422 0.321 20 5 HCBDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553506754 1080086455 /nfs/dbraw/zinc/08/64/55/1080086455.db2.gz NABBDYSGEHDXDS-GFCCVEGCSA-N 1 2 406.468 0.969 20 5 HCBDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553506755 1080087084 /nfs/dbraw/zinc/08/70/84/1080087084.db2.gz NABBDYSGEHDXDS-LBPRGKRZSA-N 1 2 406.468 0.969 20 5 HCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000553790924 1080233105 /nfs/dbraw/zinc/23/31/05/1080233105.db2.gz HYQRHBHDNALDLZ-UHFFFAOYSA-N 1 2 419.482 0.715 20 5 HCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000553790924 1080233095 /nfs/dbraw/zinc/23/30/95/1080233095.db2.gz HYQRHBHDNALDLZ-UHFFFAOYSA-N 1 2 419.482 0.715 20 5 HCBDLO C[C@@H]1C[N@@H+](CCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000554579790 1080324197 /nfs/dbraw/zinc/32/41/97/1080324197.db2.gz DQLGJUFZCGILTO-CYBMUJFWSA-N 1 2 400.457 0.100 20 5 HCBDLO C[C@@H]1C[N@H+](CCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000554579790 1080324190 /nfs/dbraw/zinc/32/41/90/1080324190.db2.gz DQLGJUFZCGILTO-CYBMUJFWSA-N 1 2 400.457 0.100 20 5 HCBDLO C[C@H]1C[N@@H+](CCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000554579791 1080324021 /nfs/dbraw/zinc/32/40/21/1080324021.db2.gz DQLGJUFZCGILTO-ZDUSSCGKSA-N 1 2 400.457 0.100 20 5 HCBDLO C[C@H]1C[N@H+](CCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000554579791 1080324009 /nfs/dbraw/zinc/32/40/09/1080324009.db2.gz DQLGJUFZCGILTO-ZDUSSCGKSA-N 1 2 400.457 0.100 20 5 HCBDLO CC(C)(C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000556217975 1078530370 /nfs/dbraw/zinc/53/03/70/1078530370.db2.gz PSWJMLPERQJEKG-HNNXBMFYSA-N 1 2 404.467 0.922 20 5 HCBDLO CC(C)(C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000556217981 1078530272 /nfs/dbraw/zinc/53/02/72/1078530272.db2.gz PSWJMLPERQJEKG-OAHLLOKOSA-N 1 2 404.467 0.922 20 5 HCBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000556273985 1078565935 /nfs/dbraw/zinc/56/59/35/1078565935.db2.gz SISZMCSYSMGRFM-UHFFFAOYSA-N 1 2 411.422 0.979 20 5 HCBDLO COc1cc(CCNC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000556311276 1078599700 /nfs/dbraw/zinc/59/97/00/1078599700.db2.gz GTUCGCMIECKZSI-GFCCVEGCSA-N 1 2 405.411 0.672 20 5 HCBDLO COc1cc(CCNC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000556311280 1078599521 /nfs/dbraw/zinc/59/95/21/1078599521.db2.gz GTUCGCMIECKZSI-LBPRGKRZSA-N 1 2 405.411 0.672 20 5 HCBDLO CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000556325509 1078621438 /nfs/dbraw/zinc/62/14/38/1078621438.db2.gz ZYJAUBJUMZBNTF-UHFFFAOYSA-N 1 2 410.456 0.706 20 5 HCBDLO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000556560791 1078836719 /nfs/dbraw/zinc/83/67/19/1078836719.db2.gz MITAYJWJBSGSMV-JTQLQIEISA-N 1 2 415.244 0.821 20 5 HCBDLO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000556560791 1078836716 /nfs/dbraw/zinc/83/67/16/1078836716.db2.gz MITAYJWJBSGSMV-JTQLQIEISA-N 1 2 415.244 0.821 20 5 HCBDLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000556560796 1078836744 /nfs/dbraw/zinc/83/67/44/1078836744.db2.gz MITAYJWJBSGSMV-SNVBAGLBSA-N 1 2 415.244 0.821 20 5 HCBDLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000556560796 1078836738 /nfs/dbraw/zinc/83/67/38/1078836738.db2.gz MITAYJWJBSGSMV-SNVBAGLBSA-N 1 2 415.244 0.821 20 5 HCBDLO COCCNC(=O)C1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000603445314 1073516015 /nfs/dbraw/zinc/51/60/15/1073516015.db2.gz KFMBOVNPFVCGLY-UHFFFAOYSA-N 1 2 408.411 0.737 20 5 HCBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1NCCn1cc[nH+]c1 ZINC000603472579 1073525184 /nfs/dbraw/zinc/52/51/84/1073525184.db2.gz CKPMDNZJIAKNEU-UHFFFAOYSA-N 1 2 424.483 0.514 20 5 HCBDLO O=C(CC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000603674018 1073592271 /nfs/dbraw/zinc/59/22/71/1073592271.db2.gz BCDOGBYTCWXDST-UHFFFAOYSA-N 1 2 412.468 0.150 20 5 HCBDLO CS(=O)(=O)c1ccc(N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000603747120 1073614990 /nfs/dbraw/zinc/61/49/90/1073614990.db2.gz QZRQCCKXLSAIQF-UHFFFAOYSA-N 1 2 422.467 0.727 20 5 HCBDLO CNS(=O)(=O)c1ccc(NCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000603869243 1073648904 /nfs/dbraw/zinc/64/89/04/1073648904.db2.gz ZRBXANWMEXYLSN-UHFFFAOYSA-N 1 2 421.483 0.527 20 5 HCBDLO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000603890531 1073657476 /nfs/dbraw/zinc/65/74/76/1073657476.db2.gz BCAOIEGAPGRXQO-CYBMUJFWSA-N 1 2 421.435 0.156 20 5 HCBDLO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000603890532 1073657564 /nfs/dbraw/zinc/65/75/64/1073657564.db2.gz BCAOIEGAPGRXQO-ZDUSSCGKSA-N 1 2 421.435 0.156 20 5 HCBDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000603931803 1073665080 /nfs/dbraw/zinc/66/50/80/1073665080.db2.gz LPCMKSNDVFEPRD-UHFFFAOYSA-N 1 2 418.439 0.246 20 5 HCBDLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000604023936 1073680344 /nfs/dbraw/zinc/68/03/44/1073680344.db2.gz GLNWXFHTQCOPDV-UHFFFAOYSA-N 1 2 421.414 0.922 20 5 HCBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000604125560 1073711283 /nfs/dbraw/zinc/71/12/83/1073711283.db2.gz ZSGDKRTXYWAZQE-UHFFFAOYSA-N 1 2 414.470 0.918 20 5 HCBDLO COCCNC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000604287457 1073759319 /nfs/dbraw/zinc/75/93/19/1073759319.db2.gz LNXZVISNPKTGBW-INIZCTEOSA-N 1 2 404.423 0.701 20 5 HCBDLO COCCNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000604287458 1073759838 /nfs/dbraw/zinc/75/98/38/1073759838.db2.gz LNXZVISNPKTGBW-MRXNPFEDSA-N 1 2 404.423 0.701 20 5 HCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604441270 1073807465 /nfs/dbraw/zinc/80/74/65/1073807465.db2.gz FKWJBVAZKKCSJC-AWEZNQCLSA-N 1 2 405.455 0.384 20 5 HCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604441270 1073807461 /nfs/dbraw/zinc/80/74/61/1073807461.db2.gz FKWJBVAZKKCSJC-AWEZNQCLSA-N 1 2 405.455 0.384 20 5 HCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604441272 1073807482 /nfs/dbraw/zinc/80/74/82/1073807482.db2.gz FKWJBVAZKKCSJC-CQSZACIVSA-N 1 2 405.455 0.384 20 5 HCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604441272 1073807480 /nfs/dbraw/zinc/80/74/80/1073807480.db2.gz FKWJBVAZKKCSJC-CQSZACIVSA-N 1 2 405.455 0.384 20 5 HCBDLO CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000604465844 1073811061 /nfs/dbraw/zinc/81/10/61/1073811061.db2.gz BQFYNOZVZOANBE-UHFFFAOYSA-N 1 2 422.467 0.088 20 5 HCBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000604469642 1073807884 /nfs/dbraw/zinc/80/78/84/1073807884.db2.gz GDFKBXFDWKQYMR-HNNXBMFYSA-N 1 2 419.463 0.725 20 5 HCBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000604469643 1073807805 /nfs/dbraw/zinc/80/78/05/1073807805.db2.gz GDFKBXFDWKQYMR-OAHLLOKOSA-N 1 2 419.463 0.725 20 5 HCBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000604496339 1073812445 /nfs/dbraw/zinc/81/24/45/1073812445.db2.gz GPXBJTNNLIWZAJ-AWEZNQCLSA-N 1 2 419.463 0.887 20 5 HCBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000604496340 1073812521 /nfs/dbraw/zinc/81/25/21/1073812521.db2.gz GPXBJTNNLIWZAJ-CQSZACIVSA-N 1 2 419.463 0.887 20 5 HCBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604497025 1073812325 /nfs/dbraw/zinc/81/23/25/1073812325.db2.gz LFGZPULTOHTEMX-AWEZNQCLSA-N 1 2 419.463 0.887 20 5 HCBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604497026 1073812387 /nfs/dbraw/zinc/81/23/87/1073812387.db2.gz LFGZPULTOHTEMX-CQSZACIVSA-N 1 2 419.463 0.887 20 5 HCBDLO Cc1nn(C)c(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000604524899 1073811875 /nfs/dbraw/zinc/81/18/75/1073811875.db2.gz KJRBODLHMPIXNJ-UHFFFAOYSA-N 1 2 401.427 0.500 20 5 HCBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000604531976 1073815494 /nfs/dbraw/zinc/81/54/94/1073815494.db2.gz LAMGBDPXGHCMAO-UHFFFAOYSA-N 1 2 415.454 0.740 20 5 HCBDLO CC(C)(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000608813859 1074506981 /nfs/dbraw/zinc/50/69/81/1074506981.db2.gz CTTFPXMXOKLBGB-UHFFFAOYSA-N 1 2 415.454 0.777 20 5 HCBDLO CN(CC[NH+]1CCOCC1)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000608904649 1074517651 /nfs/dbraw/zinc/51/76/51/1074517651.db2.gz KHCRZMQUMPUBQS-UHFFFAOYSA-N 1 2 400.457 0.054 20 5 HCBDLO NS(=O)(=O)c1ccc(NCCC(=O)N2CC(Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000609153009 1077259071 /nfs/dbraw/zinc/25/90/71/1077259071.db2.gz LTHWXTKKQKQDST-UHFFFAOYSA-N 1 2 421.435 0.729 20 5 HCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609178330 1077448193 /nfs/dbraw/zinc/44/81/93/1077448193.db2.gz QVKCMYXDRQOWRG-CYBMUJFWSA-N 1 2 400.457 0.100 20 5 HCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609178330 1077448183 /nfs/dbraw/zinc/44/81/83/1077448183.db2.gz QVKCMYXDRQOWRG-CYBMUJFWSA-N 1 2 400.457 0.100 20 5 HCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609178331 1077448068 /nfs/dbraw/zinc/44/80/68/1077448068.db2.gz QVKCMYXDRQOWRG-ZDUSSCGKSA-N 1 2 400.457 0.100 20 5 HCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609178331 1077448062 /nfs/dbraw/zinc/44/80/62/1077448062.db2.gz QVKCMYXDRQOWRG-ZDUSSCGKSA-N 1 2 400.457 0.100 20 5 HCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609178392 1077448266 /nfs/dbraw/zinc/44/82/66/1077448266.db2.gz XGCIPHAWZOSUQW-CYBMUJFWSA-N 1 2 400.457 0.100 20 5 HCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609178392 1077448254 /nfs/dbraw/zinc/44/82/54/1077448254.db2.gz XGCIPHAWZOSUQW-CYBMUJFWSA-N 1 2 400.457 0.100 20 5 HCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609178393 1077448131 /nfs/dbraw/zinc/44/81/31/1077448131.db2.gz XGCIPHAWZOSUQW-ZDUSSCGKSA-N 1 2 400.457 0.100 20 5 HCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609178393 1077448125 /nfs/dbraw/zinc/44/81/25/1077448125.db2.gz XGCIPHAWZOSUQW-ZDUSSCGKSA-N 1 2 400.457 0.100 20 5 HCBDLO C[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000609191864 1077516703 /nfs/dbraw/zinc/51/67/03/1077516703.db2.gz KRXCRMASPOHXEO-KBPBESRZSA-N 1 2 414.484 0.489 20 5 HCBDLO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000609191866 1077517123 /nfs/dbraw/zinc/51/71/23/1077517123.db2.gz KRXCRMASPOHXEO-KGLIPLIRSA-N 1 2 414.484 0.489 20 5 HCBDLO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000609191868 1077516976 /nfs/dbraw/zinc/51/69/76/1077516976.db2.gz KRXCRMASPOHXEO-ZIAGYGMSSA-N 1 2 414.484 0.489 20 5 HCBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000609196793 1077518465 /nfs/dbraw/zinc/51/84/65/1077518465.db2.gz RNZUHLGSHSFVDZ-AWEZNQCLSA-N 1 2 402.448 0.955 20 5 HCBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000609196793 1077518450 /nfs/dbraw/zinc/51/84/50/1077518450.db2.gz RNZUHLGSHSFVDZ-AWEZNQCLSA-N 1 2 402.448 0.955 20 5 HCBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000609196794 1077518379 /nfs/dbraw/zinc/51/83/79/1077518379.db2.gz RNZUHLGSHSFVDZ-CQSZACIVSA-N 1 2 402.448 0.955 20 5 HCBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000609196794 1077518367 /nfs/dbraw/zinc/51/83/67/1077518367.db2.gz RNZUHLGSHSFVDZ-CQSZACIVSA-N 1 2 402.448 0.955 20 5 HCBDLO CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000609346894 1079250929 /nfs/dbraw/zinc/25/09/29/1079250929.db2.gz UUSIDMZKMWVFQY-UHFFFAOYSA-N 1 2 414.422 0.591 20 5 HCBDLO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609354555 1079249086 /nfs/dbraw/zinc/24/90/86/1079249086.db2.gz WPVZCPLYSKTOET-UHFFFAOYSA-N 1 2 406.420 0.948 20 5 HCBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609461213 1079268685 /nfs/dbraw/zinc/26/86/85/1079268685.db2.gz KHKVBURVJQPSPI-HNNXBMFYSA-N 1 2 406.439 0.271 20 5 HCBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609461214 1079268719 /nfs/dbraw/zinc/26/87/19/1079268719.db2.gz KHKVBURVJQPSPI-OAHLLOKOSA-N 1 2 406.439 0.271 20 5 HCBDLO COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000609491661 1079276662 /nfs/dbraw/zinc/27/66/62/1079276662.db2.gz ICNMITIZWREDQC-UHFFFAOYSA-N 1 2 417.422 0.728 20 5 HCBDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609543126 1078474144 /nfs/dbraw/zinc/47/41/44/1078474144.db2.gz RMTKCZBNGQERGQ-LLVKDONJSA-N 1 2 407.290 0.881 20 5 HCBDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609543126 1078474141 /nfs/dbraw/zinc/47/41/41/1078474141.db2.gz RMTKCZBNGQERGQ-LLVKDONJSA-N 1 2 407.290 0.881 20 5 HCBDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609543127 1078474065 /nfs/dbraw/zinc/47/40/65/1078474065.db2.gz RMTKCZBNGQERGQ-NSHDSACASA-N 1 2 407.290 0.881 20 5 HCBDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609543127 1078474059 /nfs/dbraw/zinc/47/40/59/1078474059.db2.gz RMTKCZBNGQERGQ-NSHDSACASA-N 1 2 407.290 0.881 20 5 HCBDLO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609569348 1078477821 /nfs/dbraw/zinc/47/78/21/1078477821.db2.gz YGADLNHRGAEDNS-UHFFFAOYSA-N 1 2 406.420 0.948 20 5 HCBDLO CCOC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1C ZINC000609707577 1078521545 /nfs/dbraw/zinc/52/15/45/1078521545.db2.gz GWQJEELCOFYAPT-CYBMUJFWSA-N 1 2 414.484 0.604 20 5 HCBDLO CCOC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1C ZINC000609707577 1078521531 /nfs/dbraw/zinc/52/15/31/1078521531.db2.gz GWQJEELCOFYAPT-CYBMUJFWSA-N 1 2 414.484 0.604 20 5 HCBDLO CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1C ZINC000609707578 1078521405 /nfs/dbraw/zinc/52/14/05/1078521405.db2.gz GWQJEELCOFYAPT-ZDUSSCGKSA-N 1 2 414.484 0.604 20 5 HCBDLO CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1C ZINC000609707578 1078521395 /nfs/dbraw/zinc/52/13/95/1078521395.db2.gz GWQJEELCOFYAPT-ZDUSSCGKSA-N 1 2 414.484 0.604 20 5 HCBDLO O=C(NCCNc1cccc[nH+]1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609745258 1078528795 /nfs/dbraw/zinc/52/87/95/1078528795.db2.gz CFPPXHNTWITZHF-UHFFFAOYSA-N 1 2 408.440 0.679 20 5 HCBDLO CN(C)S(=O)(=O)N1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000609766466 1078537706 /nfs/dbraw/zinc/53/77/06/1078537706.db2.gz RDLYRBUWSFEZNQ-UHFFFAOYSA-N 1 2 413.456 0.317 20 5 HCBDLO O=C(CN1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1)NC1CC1 ZINC000609770809 1078535673 /nfs/dbraw/zinc/53/56/73/1078535673.db2.gz FHKBCRDTUMZBJB-UHFFFAOYSA-N 1 2 403.439 0.789 20 5 HCBDLO C[C@@H](O)C[NH+]1CCN(c2nc(N3CCN(C[C@H](C)O)CC3)c([N+](=O)[O-])s2)CC1 ZINC000609797175 1078538330 /nfs/dbraw/zinc/53/83/30/1078538330.db2.gz KPTRBEMNGLCJKL-UONOGXRCSA-N 1 2 414.532 0.057 20 5 HCBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609835970 1078545120 /nfs/dbraw/zinc/54/51/20/1078545120.db2.gz ACTSWSOCFDJQRC-HNNXBMFYSA-N 1 2 405.455 0.446 20 5 HCBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609835971 1078545009 /nfs/dbraw/zinc/54/50/09/1078545009.db2.gz ACTSWSOCFDJQRC-OAHLLOKOSA-N 1 2 405.455 0.446 20 5 HCBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609836022 1078549100 /nfs/dbraw/zinc/54/91/00/1078549100.db2.gz FKEZVLUWIBTFET-INIZCTEOSA-N 1 2 415.450 0.599 20 5 HCBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609836023 1078548940 /nfs/dbraw/zinc/54/89/40/1078548940.db2.gz FKEZVLUWIBTFET-MRXNPFEDSA-N 1 2 415.450 0.599 20 5 HCBDLO COC(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000609836041 1078549147 /nfs/dbraw/zinc/54/91/47/1078549147.db2.gz GQZFQFRHWNCKER-HNNXBMFYSA-N 1 2 420.422 0.044 20 5 HCBDLO COC(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000609836042 1078549241 /nfs/dbraw/zinc/54/92/41/1078549241.db2.gz GQZFQFRHWNCKER-OAHLLOKOSA-N 1 2 420.422 0.044 20 5 HCBDLO CCOc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000609836136 1078549062 /nfs/dbraw/zinc/54/90/62/1078549062.db2.gz NHAZDFWLRWDZRI-HNNXBMFYSA-N 1 2 406.439 0.656 20 5 HCBDLO CCOc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000609836137 1078548957 /nfs/dbraw/zinc/54/89/57/1078548957.db2.gz NHAZDFWLRWDZRI-OAHLLOKOSA-N 1 2 406.439 0.656 20 5 HCBDLO COc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000609836200 1078548545 /nfs/dbraw/zinc/54/85/45/1078548545.db2.gz TYRQZZRTURBKJH-CYBMUJFWSA-N 1 2 422.438 0.275 20 5 HCBDLO COc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000609836201 1078548426 /nfs/dbraw/zinc/54/84/26/1078548426.db2.gz TYRQZZRTURBKJH-ZDUSSCGKSA-N 1 2 422.438 0.275 20 5 HCBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609836247 1078548497 /nfs/dbraw/zinc/54/84/97/1078548497.db2.gz ZANNVVKRYBGOKK-KRWDZBQOSA-N 1 2 419.482 0.836 20 5 HCBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609836248 1078548601 /nfs/dbraw/zinc/54/86/01/1078548601.db2.gz ZANNVVKRYBGOKK-QGZVFWFLSA-N 1 2 419.482 0.836 20 5 HCBDLO Cc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840445 1078555001 /nfs/dbraw/zinc/55/50/01/1078555001.db2.gz MASWMEWAXAWPCC-UHFFFAOYSA-N 1 2 405.436 0.908 20 5 HCBDLO Cc1c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840923 1078555769 /nfs/dbraw/zinc/55/57/69/1078555769.db2.gz WXNNTRUYMULJSZ-INIZCTEOSA-N 1 2 414.484 0.637 20 5 HCBDLO Cc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609840924 1078555834 /nfs/dbraw/zinc/55/58/34/1078555834.db2.gz WXNNTRUYMULJSZ-MRXNPFEDSA-N 1 2 414.484 0.637 20 5 HCBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000609843598 1078551070 /nfs/dbraw/zinc/55/10/70/1078551070.db2.gz MHCLPBBPYDEVTB-HNNXBMFYSA-N 1 2 420.474 0.995 20 5 HCBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000609843599 1078551119 /nfs/dbraw/zinc/55/11/19/1078551119.db2.gz MHCLPBBPYDEVTB-OAHLLOKOSA-N 1 2 420.474 0.995 20 5 HCBDLO Cc1c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609847251 1078552538 /nfs/dbraw/zinc/55/25/38/1078552538.db2.gz WPMDKOXKXDHYKH-ZDUSSCGKSA-N 1 2 412.468 0.487 20 5 HCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000609847534 1078552040 /nfs/dbraw/zinc/55/20/40/1078552040.db2.gz QQHGFKJYBZLJHD-AWEZNQCLSA-N 1 2 409.491 0.498 20 5 HCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000609847534 1078552034 /nfs/dbraw/zinc/55/20/34/1078552034.db2.gz QQHGFKJYBZLJHD-AWEZNQCLSA-N 1 2 409.491 0.498 20 5 HCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000609847535 1078551950 /nfs/dbraw/zinc/55/19/50/1078551950.db2.gz QQHGFKJYBZLJHD-CQSZACIVSA-N 1 2 409.491 0.498 20 5 HCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000609847535 1078551942 /nfs/dbraw/zinc/55/19/42/1078551942.db2.gz QQHGFKJYBZLJHD-CQSZACIVSA-N 1 2 409.491 0.498 20 5 HCBDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609855413 1078554071 /nfs/dbraw/zinc/55/40/71/1078554071.db2.gz OYCZEYDGHLOJGR-INIZCTEOSA-N 1 2 417.466 0.832 20 5 HCBDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609855414 1078554096 /nfs/dbraw/zinc/55/40/96/1078554096.db2.gz OYCZEYDGHLOJGR-MRXNPFEDSA-N 1 2 417.466 0.832 20 5 HCBDLO COc1ccc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000609880728 1078557813 /nfs/dbraw/zinc/55/78/13/1078557813.db2.gz JTKCSWSAXVQRCF-HNNXBMFYSA-N 1 2 406.439 0.195 20 5 HCBDLO COc1ccc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000609880731 1078557784 /nfs/dbraw/zinc/55/77/84/1078557784.db2.gz JTKCSWSAXVQRCF-OAHLLOKOSA-N 1 2 406.439 0.195 20 5 HCBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609880917 1078559011 /nfs/dbraw/zinc/55/90/11/1078559011.db2.gz MUHOYQGRVPFGQB-HNNXBMFYSA-N 1 2 406.439 0.413 20 5 HCBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609880918 1078558901 /nfs/dbraw/zinc/55/89/01/1078558901.db2.gz MUHOYQGRVPFGQB-OAHLLOKOSA-N 1 2 406.439 0.413 20 5 HCBDLO NC(=O)c1ccc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c([N+](=O)[O-])c1 ZINC000609965796 1078576365 /nfs/dbraw/zinc/57/63/65/1078576365.db2.gz ZWJFLHFNPZTFDH-UHFFFAOYSA-N 1 2 413.438 0.647 20 5 HCBDLO NC(=O)c1ccc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000609965796 1078576356 /nfs/dbraw/zinc/57/63/56/1078576356.db2.gz ZWJFLHFNPZTFDH-UHFFFAOYSA-N 1 2 413.438 0.647 20 5 HCBDLO CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609966040 1078577008 /nfs/dbraw/zinc/57/70/08/1078577008.db2.gz CNXMMERFCMLTOF-UHFFFAOYSA-N 1 2 414.484 0.442 20 5 HCBDLO Cn1c(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)ccc1[N+](=O)[O-] ZINC000609984389 1078582611 /nfs/dbraw/zinc/58/26/11/1078582611.db2.gz AUDUBSQHVDIDNZ-UHFFFAOYSA-N 1 2 401.427 0.522 20 5 HCBDLO Cn1c(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000609984389 1078582605 /nfs/dbraw/zinc/58/26/05/1078582605.db2.gz AUDUBSQHVDIDNZ-UHFFFAOYSA-N 1 2 401.427 0.522 20 5 HCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000609984392 1078582769 /nfs/dbraw/zinc/58/27/69/1078582769.db2.gz BBQKQLRXNMQNRR-UHFFFAOYSA-N 1 2 416.442 0.157 20 5 HCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000609984392 1078582764 /nfs/dbraw/zinc/58/27/64/1078582764.db2.gz BBQKQLRXNMQNRR-UHFFFAOYSA-N 1 2 416.442 0.157 20 5 HCBDLO Cc1nn(C)c(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1[N+](=O)[O-] ZINC000609984468 1078582689 /nfs/dbraw/zinc/58/26/89/1078582689.db2.gz HLDSMUKRFNOGDE-UHFFFAOYSA-N 1 2 416.442 0.226 20 5 HCBDLO Cc1nn(C)c(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000609984468 1078582681 /nfs/dbraw/zinc/58/26/81/1078582681.db2.gz HLDSMUKRFNOGDE-UHFFFAOYSA-N 1 2 416.442 0.226 20 5 HCBDLO CN(CC(=O)N1CC(Oc2cc[nH+]cc2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988194 1078583679 /nfs/dbraw/zinc/58/36/79/1078583679.db2.gz PSNZFPUKGGZXIO-UHFFFAOYSA-N 1 2 406.420 0.900 20 5 HCBDLO C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000609988423 1078583699 /nfs/dbraw/zinc/58/36/99/1078583699.db2.gz IISZUBZAQFYUBO-KBPBESRZSA-N 1 2 414.484 0.441 20 5 HCBDLO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000609988424 1078583717 /nfs/dbraw/zinc/58/37/17/1078583717.db2.gz IISZUBZAQFYUBO-KGLIPLIRSA-N 1 2 414.484 0.441 20 5 HCBDLO C[C@H]([C@H](C)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000609988425 1078583830 /nfs/dbraw/zinc/58/38/30/1078583830.db2.gz IISZUBZAQFYUBO-UONOGXRCSA-N 1 2 414.484 0.441 20 5 HCBDLO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000609988426 1078583863 /nfs/dbraw/zinc/58/38/63/1078583863.db2.gz IISZUBZAQFYUBO-ZIAGYGMSSA-N 1 2 414.484 0.441 20 5 HCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988605 1078583762 /nfs/dbraw/zinc/58/37/62/1078583762.db2.gz OJABQDFFXZJIKX-CYBMUJFWSA-N 1 2 400.457 0.052 20 5 HCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988605 1078583752 /nfs/dbraw/zinc/58/37/52/1078583752.db2.gz OJABQDFFXZJIKX-CYBMUJFWSA-N 1 2 400.457 0.052 20 5 HCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988606 1078583057 /nfs/dbraw/zinc/58/30/57/1078583057.db2.gz OJABQDFFXZJIKX-ZDUSSCGKSA-N 1 2 400.457 0.052 20 5 HCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988606 1078583049 /nfs/dbraw/zinc/58/30/49/1078583049.db2.gz OJABQDFFXZJIKX-ZDUSSCGKSA-N 1 2 400.457 0.052 20 5 HCBDLO CN(CC(=O)NCC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609990100 1078592477 /nfs/dbraw/zinc/59/24/77/1078592477.db2.gz CUJZUTATGFQTHC-UHFFFAOYSA-N 1 2 414.484 0.442 20 5 HCBDLO CN(CC(=O)NCC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609990100 1078592467 /nfs/dbraw/zinc/59/24/67/1078592467.db2.gz CUJZUTATGFQTHC-UHFFFAOYSA-N 1 2 414.484 0.442 20 5 HCBDLO C[C@@H]1C[N@@H+](CCNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000609990757 1078592527 /nfs/dbraw/zinc/59/25/27/1078592527.db2.gz OBQZNSSFXVZAJV-CYBMUJFWSA-N 1 2 400.457 0.052 20 5 HCBDLO C[C@@H]1C[N@H+](CCNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000609990757 1078592513 /nfs/dbraw/zinc/59/25/13/1078592513.db2.gz OBQZNSSFXVZAJV-CYBMUJFWSA-N 1 2 400.457 0.052 20 5 HCBDLO C[C@H]1C[N@@H+](CCNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000609990760 1078592413 /nfs/dbraw/zinc/59/24/13/1078592413.db2.gz OBQZNSSFXVZAJV-ZDUSSCGKSA-N 1 2 400.457 0.052 20 5 HCBDLO C[C@H]1C[N@H+](CCNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000609990760 1078592405 /nfs/dbraw/zinc/59/24/05/1078592405.db2.gz OBQZNSSFXVZAJV-ZDUSSCGKSA-N 1 2 400.457 0.052 20 5 HCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609991253 1078593030 /nfs/dbraw/zinc/59/30/30/1078593030.db2.gz OBLASKNGRBXMDR-CYBMUJFWSA-N 1 2 400.457 0.052 20 5 HCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609991254 1078593074 /nfs/dbraw/zinc/59/30/74/1078593074.db2.gz OBLASKNGRBXMDR-ZDUSSCGKSA-N 1 2 400.457 0.052 20 5 HCBDLO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](CCn2cncn2)CC1 ZINC000610113589 1078624594 /nfs/dbraw/zinc/62/45/94/1078624594.db2.gz AUVZUTNMFMEGIU-UHFFFAOYSA-N 1 2 421.845 0.414 20 5 HCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000610113593 1078624727 /nfs/dbraw/zinc/62/47/27/1078624727.db2.gz BTISPEABYXHQKU-AWEZNQCLSA-N 1 2 401.427 0.149 20 5 HCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000610113594 1078624754 /nfs/dbraw/zinc/62/47/54/1078624754.db2.gz BTISPEABYXHQKU-CQSZACIVSA-N 1 2 401.427 0.149 20 5 HCBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000610113748 1078624671 /nfs/dbraw/zinc/62/46/71/1078624671.db2.gz SYYKQGVCNXWWTN-UHFFFAOYSA-N 1 2 401.427 0.151 20 5 HCBDLO C[C@H](CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000610116876 1078626526 /nfs/dbraw/zinc/62/65/26/1078626526.db2.gz RKTCKQHAZKVNIP-GFCCVEGCSA-N 1 2 410.456 0.693 20 5 HCBDLO C[C@@H](CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000610116878 1078626405 /nfs/dbraw/zinc/62/64/05/1078626405.db2.gz RKTCKQHAZKVNIP-LBPRGKRZSA-N 1 2 410.456 0.693 20 5 HCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610137954 1078630384 /nfs/dbraw/zinc/63/03/84/1078630384.db2.gz BMSBHHPBPWSQOI-HNNXBMFYSA-N 1 2 405.455 0.783 20 5 HCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610137955 1078630408 /nfs/dbraw/zinc/63/04/08/1078630408.db2.gz BMSBHHPBPWSQOI-OAHLLOKOSA-N 1 2 405.455 0.783 20 5 HCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610145537 1078631536 /nfs/dbraw/zinc/63/15/36/1078631536.db2.gz MZWYXMKVUOPHEJ-OAHLLOKOSA-N 1 2 405.455 0.783 20 5 HCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610145537 1078631526 /nfs/dbraw/zinc/63/15/26/1078631526.db2.gz MZWYXMKVUOPHEJ-OAHLLOKOSA-N 1 2 405.455 0.783 20 5 HCBDLO NS(=O)(=O)c1ccccc1N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000615456977 1078671362 /nfs/dbraw/zinc/67/13/62/1078671362.db2.gz PNZABIWHAOQTMO-UHFFFAOYSA-N 1 2 407.452 0.226 20 5 HCBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000615671778 1078682952 /nfs/dbraw/zinc/68/29/52/1078682952.db2.gz VGBRVEIICHUCSN-AWEZNQCLSA-N 1 2 419.463 0.887 20 5 HCBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000615671779 1078683515 /nfs/dbraw/zinc/68/35/15/1078683515.db2.gz VGBRVEIICHUCSN-CQSZACIVSA-N 1 2 419.463 0.887 20 5 HCBDLO CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC000615672451 1078683082 /nfs/dbraw/zinc/68/30/82/1078683082.db2.gz MVLSLCZAGMEYTR-GFCCVEGCSA-N 1 2 407.452 0.986 20 5 HCBDLO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC000615672453 1078683017 /nfs/dbraw/zinc/68/30/17/1078683017.db2.gz MVLSLCZAGMEYTR-LBPRGKRZSA-N 1 2 407.452 0.986 20 5 HCBDLO COC(=O)COc1ccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000616129552 1078720820 /nfs/dbraw/zinc/72/08/20/1078720820.db2.gz KGJDVVZIQJXCCK-UHFFFAOYSA-N 1 2 401.441 0.660 20 5 HCBDLO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000616131681 1078721330 /nfs/dbraw/zinc/72/13/30/1078721330.db2.gz SIHUTJFZENGHLD-ZDUSSCGKSA-N 1 2 401.441 0.660 20 5 HCBDLO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000616131681 1078721319 /nfs/dbraw/zinc/72/13/19/1078721319.db2.gz SIHUTJFZENGHLD-ZDUSSCGKSA-N 1 2 401.441 0.660 20 5 HCBDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(OCC(=O)OC)c([N+](=O)[O-])c3)CCN2C1=O ZINC000616136087 1078721906 /nfs/dbraw/zinc/72/19/06/1078721906.db2.gz OJLWGPOSUSDIJH-AWEZNQCLSA-N 1 2 406.395 0.615 20 5 HCBDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(OCC(=O)OC)c([N+](=O)[O-])c3)CCN2C1=O ZINC000616136087 1078721899 /nfs/dbraw/zinc/72/18/99/1078721899.db2.gz OJLWGPOSUSDIJH-AWEZNQCLSA-N 1 2 406.395 0.615 20 5 HCBDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(OCC(=O)OC)c([N+](=O)[O-])c3)CCN2C1=O ZINC000616136089 1078721882 /nfs/dbraw/zinc/72/18/82/1078721882.db2.gz OJLWGPOSUSDIJH-CQSZACIVSA-N 1 2 406.395 0.615 20 5 HCBDLO CCN1C(=O)[C@H]2C[N@H+](Cc3ccc(OCC(=O)OC)c([N+](=O)[O-])c3)CCN2C1=O ZINC000616136089 1078721874 /nfs/dbraw/zinc/72/18/74/1078721874.db2.gz OJLWGPOSUSDIJH-CQSZACIVSA-N 1 2 406.395 0.615 20 5 HCBDLO O=C(NCCCn1cc[nH+]c1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000616170025 1078724645 /nfs/dbraw/zinc/72/46/45/1078724645.db2.gz BTGVHKLSXSVDBM-UHFFFAOYSA-N 1 2 422.467 0.898 20 5 HCBDLO O=C(NCCCn1cc[nH+]c1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000616170033 1078724684 /nfs/dbraw/zinc/72/46/84/1078724684.db2.gz FLQUEQRDTZVDRC-UHFFFAOYSA-N 1 2 422.467 0.898 20 5 HCBDLO Cc1nc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C(=O)NCCO)n1C ZINC000617886509 1078846880 /nfs/dbraw/zinc/84/68/80/1078846880.db2.gz IDNOJMQJVBBQKR-UHFFFAOYSA-N 1 2 413.394 0.797 20 5 HCBDLO O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000618230655 1078857448 /nfs/dbraw/zinc/85/74/48/1078857448.db2.gz OYJYWEQYCOXACI-AWEZNQCLSA-N 1 2 402.407 0.795 20 5 HCBDLO O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000618230656 1078857493 /nfs/dbraw/zinc/85/74/93/1078857493.db2.gz OYJYWEQYCOXACI-CQSZACIVSA-N 1 2 402.407 0.795 20 5 HCBDLO O=[N+]([O-])c1cnn(C[C@H](O)Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000618952178 1078879056 /nfs/dbraw/zinc/87/90/56/1078879056.db2.gz YFXKQJYQYGJRCZ-DLBZAZTESA-N 1 2 414.426 0.412 20 5 HCBDLO O=[N+]([O-])c1cnn(C[C@H](O)Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000618952178 1078879051 /nfs/dbraw/zinc/87/90/51/1078879051.db2.gz YFXKQJYQYGJRCZ-DLBZAZTESA-N 1 2 414.426 0.412 20 5 HCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000618952179 1078879127 /nfs/dbraw/zinc/87/91/27/1078879127.db2.gz YFXKQJYQYGJRCZ-IAGOWNOFSA-N 1 2 414.426 0.412 20 5 HCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000618952179 1078879125 /nfs/dbraw/zinc/87/91/25/1078879125.db2.gz YFXKQJYQYGJRCZ-IAGOWNOFSA-N 1 2 414.426 0.412 20 5 HCBDLO O=[N+]([O-])c1cnn(C[C@H](O)Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000618952181 1078879095 /nfs/dbraw/zinc/87/90/95/1078879095.db2.gz YFXKQJYQYGJRCZ-IRXDYDNUSA-N 1 2 414.426 0.412 20 5 HCBDLO O=[N+]([O-])c1cnn(C[C@H](O)Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000618952181 1078879091 /nfs/dbraw/zinc/87/90/91/1078879091.db2.gz YFXKQJYQYGJRCZ-IRXDYDNUSA-N 1 2 414.426 0.412 20 5 HCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000618952182 1078879028 /nfs/dbraw/zinc/87/90/28/1078879028.db2.gz YFXKQJYQYGJRCZ-SJORKVTESA-N 1 2 414.426 0.412 20 5 HCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000618952182 1078879026 /nfs/dbraw/zinc/87/90/26/1078879026.db2.gz YFXKQJYQYGJRCZ-SJORKVTESA-N 1 2 414.426 0.412 20 5 HCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)cc1 ZINC000619264102 1078891593 /nfs/dbraw/zinc/89/15/93/1078891593.db2.gz ATVKYFVRFWCWIU-AWEZNQCLSA-N 1 2 406.468 0.840 20 5 HCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)cc1 ZINC000619264103 1078891723 /nfs/dbraw/zinc/89/17/23/1078891723.db2.gz ATVKYFVRFWCWIU-CQSZACIVSA-N 1 2 406.468 0.840 20 5 HCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)c1 ZINC000619264691 1078891739 /nfs/dbraw/zinc/89/17/39/1078891739.db2.gz JUEBUHWIJNXQET-AWEZNQCLSA-N 1 2 406.468 0.840 20 5 HCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)c1 ZINC000619264693 1078891656 /nfs/dbraw/zinc/89/16/56/1078891656.db2.gz JUEBUHWIJNXQET-CQSZACIVSA-N 1 2 406.468 0.840 20 5 HCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000619264753 1078891745 /nfs/dbraw/zinc/89/17/45/1078891745.db2.gz LBGNTJHWGHRMON-AWEZNQCLSA-N 1 2 406.468 0.840 20 5 HCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000619264754 1078891704 /nfs/dbraw/zinc/89/17/04/1078891704.db2.gz LBGNTJHWGHRMON-CQSZACIVSA-N 1 2 406.468 0.840 20 5 HCBDLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619476077 1078901743 /nfs/dbraw/zinc/90/17/43/1078901743.db2.gz BBYZQNYKFNYVBK-UHFFFAOYSA-N 1 2 414.484 0.872 20 5 HCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000619482942 1078902791 /nfs/dbraw/zinc/90/27/91/1078902791.db2.gz WMFUUQZKCXYOFF-UHFFFAOYSA-N 1 2 400.457 0.434 20 5 HCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000619491087 1078904900 /nfs/dbraw/zinc/90/49/00/1078904900.db2.gz IJXJSLIXRBCBEW-UHFFFAOYSA-N 1 2 400.457 0.388 20 5 HCBDLO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000619873531 1078951744 /nfs/dbraw/zinc/95/17/44/1078951744.db2.gz KYCVDXHHCZWTTO-HNNXBMFYSA-N 1 2 403.439 0.789 20 5 HCBDLO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000619873531 1078951733 /nfs/dbraw/zinc/95/17/33/1078951733.db2.gz KYCVDXHHCZWTTO-HNNXBMFYSA-N 1 2 403.439 0.789 20 5 HCBDLO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000619873532 1078951903 /nfs/dbraw/zinc/95/19/03/1078951903.db2.gz KYCVDXHHCZWTTO-OAHLLOKOSA-N 1 2 403.439 0.789 20 5 HCBDLO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000619873532 1078951892 /nfs/dbraw/zinc/95/18/92/1078951892.db2.gz KYCVDXHHCZWTTO-OAHLLOKOSA-N 1 2 403.439 0.789 20 5 HCBDLO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000761643199 1077565462 /nfs/dbraw/zinc/56/54/62/1077565462.db2.gz RVKRGPVQZQEGBN-UHFFFAOYSA-N 1 2 418.410 0.144 20 5 HCBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000761672439 1077612610 /nfs/dbraw/zinc/61/26/10/1077612610.db2.gz JWVFIFVXTLVJEF-UHFFFAOYSA-N 1 2 423.470 0.768 20 5 HCBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000761672439 1077612603 /nfs/dbraw/zinc/61/26/03/1077612603.db2.gz JWVFIFVXTLVJEF-UHFFFAOYSA-N 1 2 423.470 0.768 20 5 HCBDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765191034 1079396360 /nfs/dbraw/zinc/39/63/60/1079396360.db2.gz NGPAKDYJIPTIER-JTQLQIEISA-N 1 2 407.290 0.881 20 5 HCBDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765191034 1079396355 /nfs/dbraw/zinc/39/63/55/1079396355.db2.gz NGPAKDYJIPTIER-JTQLQIEISA-N 1 2 407.290 0.881 20 5 HCBDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765191039 1079396436 /nfs/dbraw/zinc/39/64/36/1079396436.db2.gz NGPAKDYJIPTIER-SNVBAGLBSA-N 1 2 407.290 0.881 20 5 HCBDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765191039 1079396428 /nfs/dbraw/zinc/39/64/28/1079396428.db2.gz NGPAKDYJIPTIER-SNVBAGLBSA-N 1 2 407.290 0.881 20 5 HCBDLO CC(=O)c1ccc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000914786398 1077755517 /nfs/dbraw/zinc/75/55/17/1077755517.db2.gz VAPVPXIFCBJCJW-UHFFFAOYSA-N 1 2 411.484 0.412 20 5 HCBDLO O=C(COC(=O)Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000914899684 1077801332 /nfs/dbraw/zinc/80/13/32/1077801332.db2.gz GBUJMCNIZMNETG-UHFFFAOYSA-N 1 2 417.422 0.483 20 5 HCBDLO CCCNC(=O)CN(C)C(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000917226328 1078248695 /nfs/dbraw/zinc/24/86/95/1078248695.db2.gz SKOUGBVTBWOHIA-UHFFFAOYSA-N 1 2 403.395 0.922 20 5 HCBDLO COCC(=O)NC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000917459138 1078291125 /nfs/dbraw/zinc/29/11/25/1078291125.db2.gz CYQQEDZAJRLAHH-IBGZPJMESA-N 1 2 419.438 0.546 20 5 HCBDLO COCC(=O)NC1CC[NH+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000917459139 1078291039 /nfs/dbraw/zinc/29/10/39/1078291039.db2.gz CYQQEDZAJRLAHH-LJQANCHMSA-N 1 2 419.438 0.546 20 5 HCBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000918107350 1078364800 /nfs/dbraw/zinc/36/48/00/1078364800.db2.gz JSBYPJNZSMPWAH-UHFFFAOYSA-N 1 2 410.438 0.673 20 5 HCBDLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000918192087 1078371312 /nfs/dbraw/zinc/37/13/12/1078371312.db2.gz NOHQFXAPYFBYEL-UHFFFAOYSA-N 1 2 421.414 0.922 20 5 HCBDLO O=C(C[N@H+]1CCC[C@@H]1C(=O)NC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000919804399 1079010839 /nfs/dbraw/zinc/01/08/39/1079010839.db2.gz OVCPVAROJIPGOA-GOSISDBHSA-N 1 2 401.467 0.986 20 5 HCBDLO O=C(C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000919804399 1079010832 /nfs/dbraw/zinc/01/08/32/1079010832.db2.gz OVCPVAROJIPGOA-GOSISDBHSA-N 1 2 401.467 0.986 20 5 HCBDLO O=C(C[N@H+]1CCC[C@H]1C(=O)NC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000919804400 1079010714 /nfs/dbraw/zinc/01/07/14/1079010714.db2.gz OVCPVAROJIPGOA-SFHVURJKSA-N 1 2 401.467 0.986 20 5 HCBDLO O=C(C[N@@H+]1CCC[C@H]1C(=O)NC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000919804400 1079010700 /nfs/dbraw/zinc/01/07/00/1079010700.db2.gz OVCPVAROJIPGOA-SFHVURJKSA-N 1 2 401.467 0.986 20 5 HCBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)NCC(=O)N1CCCC1 ZINC000922755554 1081357249 /nfs/dbraw/zinc/35/72/49/1081357249.db2.gz WSVFFRJVPSCCHJ-UHFFFAOYSA-N 1 2 401.379 0.676 20 5 HCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(OC)c([N+](=O)[O-])c(OC)n3)CC2)C1=O ZINC001164632749 719274111 /nfs/dbraw/zinc/27/41/11/719274111.db2.gz BRLIDBYJMHKNNA-UHFFFAOYSA-N 1 2 424.458 0.161 20 5 HCBDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(OC)c([N+](=O)[O-])c(OC)n3)CC2)C1=O ZINC001164632749 719274108 /nfs/dbraw/zinc/27/41/08/719274108.db2.gz BRLIDBYJMHKNNA-UHFFFAOYSA-N 1 2 424.458 0.161 20 5 HCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])CC2)C1=O ZINC001164634697 719271820 /nfs/dbraw/zinc/27/18/20/719271820.db2.gz LQIYFTITVGAHKB-UHFFFAOYSA-N 1 2 421.454 0.536 20 5 HCBDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])CC2)C1=O ZINC001164634697 719271813 /nfs/dbraw/zinc/27/18/13/719271813.db2.gz LQIYFTITVGAHKB-UHFFFAOYSA-N 1 2 421.454 0.536 20 5 HCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc([N+](=O)[O-])cc3C(=O)OC)CC2)C1=O ZINC001164635379 719269327 /nfs/dbraw/zinc/26/93/27/719269327.db2.gz PKVBBMLMGLIRGM-UHFFFAOYSA-N 1 2 421.454 0.536 20 5 HCBDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc([N+](=O)[O-])cc3C(=O)OC)CC2)C1=O ZINC001164635379 719269324 /nfs/dbraw/zinc/26/93/24/719269324.db2.gz PKVBBMLMGLIRGM-UHFFFAOYSA-N 1 2 421.454 0.536 20 5 HCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)C1=O ZINC001164635583 719271072 /nfs/dbraw/zinc/27/10/72/719271072.db2.gz SGORFLIKTFDBOR-UHFFFAOYSA-N 1 2 408.415 0.657 20 5 HCBDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)C1=O ZINC001164635583 719271066 /nfs/dbraw/zinc/27/10/66/719271066.db2.gz SGORFLIKTFDBOR-UHFFFAOYSA-N 1 2 408.415 0.657 20 5 HCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(C(=O)OC)c3[N+](=O)[O-])CC2)C1=O ZINC001164639094 719275709 /nfs/dbraw/zinc/27/57/09/719275709.db2.gz HFJKIBOUEVFNCY-UHFFFAOYSA-N 1 2 421.454 0.536 20 5 HCBDLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(C(=O)OC)c3[N+](=O)[O-])CC2)C1=O ZINC001164639094 719275707 /nfs/dbraw/zinc/27/57/07/719275707.db2.gz HFJKIBOUEVFNCY-UHFFFAOYSA-N 1 2 421.454 0.536 20 5 HCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC2)C1=O ZINC001164639157 719277160 /nfs/dbraw/zinc/27/71/60/719277160.db2.gz IRKALSOFKHWIPS-UHFFFAOYSA-N 1 2 413.862 0.641 20 5 HCBDLO COCCN1CC[N@H+](C)C2(CCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC2)C1=O ZINC001164639157 719277157 /nfs/dbraw/zinc/27/71/57/719277157.db2.gz IRKALSOFKHWIPS-UHFFFAOYSA-N 1 2 413.862 0.641 20 5 HCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(OC)nc(C)c3[N+](=O)[O-])CC2)C1=O ZINC001164639180 719274288 /nfs/dbraw/zinc/27/42/88/719274288.db2.gz JLIYVJMACUHSGL-UHFFFAOYSA-N 1 2 408.459 0.461 20 5 HCBDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(OC)nc(C)c3[N+](=O)[O-])CC2)C1=O ZINC001164639180 719274286 /nfs/dbraw/zinc/27/42/86/719274286.db2.gz JLIYVJMACUHSGL-UHFFFAOYSA-N 1 2 408.459 0.461 20 5 HCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC2)C1=O ZINC001164640075 719275675 /nfs/dbraw/zinc/27/56/75/719275675.db2.gz NLBAQGKOAFEZRE-UHFFFAOYSA-N 1 2 413.862 0.641 20 5 HCBDLO COCCN1CC[N@H+](C)C2(CCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC2)C1=O ZINC001164640075 719275673 /nfs/dbraw/zinc/27/56/73/719275673.db2.gz NLBAQGKOAFEZRE-UHFFFAOYSA-N 1 2 413.862 0.641 20 5 HCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])CC2)C1=O ZINC001164644852 719285017 /nfs/dbraw/zinc/28/50/17/719285017.db2.gz UOCDFCSRQVSFKF-UHFFFAOYSA-N 1 2 421.454 0.536 20 5 HCBDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])CC2)C1=O ZINC001164644852 719285014 /nfs/dbraw/zinc/28/50/14/719285014.db2.gz UOCDFCSRQVSFKF-UHFFFAOYSA-N 1 2 421.454 0.536 20 5 HCBDLO COc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncc1[N+](=O)[O-] ZINC001164702276 719930202 /nfs/dbraw/zinc/93/02/02/719930202.db2.gz DRDPJWJMVIANGJ-UHFFFAOYSA-N 1 2 416.442 0.077 20 5 HCBDLO COc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ccc1[N+](=O)[O-] ZINC001164702421 719938700 /nfs/dbraw/zinc/93/87/00/719938700.db2.gz GAVODGUJLGMXSM-UHFFFAOYSA-N 1 2 415.454 0.682 20 5 HCBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(OC)nc(C)c1[N+](=O)[O-] ZINC001164703040 719854738 /nfs/dbraw/zinc/85/47/38/719854738.db2.gz ONFADDYYMMUQTN-ACJLOTCBSA-N 1 2 409.443 0.935 20 5 HCBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(OC)nc(C)c1[N+](=O)[O-] ZINC001164703044 719854630 /nfs/dbraw/zinc/85/46/30/719854630.db2.gz ONFADDYYMMUQTN-FZKQIMNGSA-N 1 2 409.443 0.935 20 5 HCBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(OC)nc(C)c1[N+](=O)[O-] ZINC001164703048 719854401 /nfs/dbraw/zinc/85/44/01/719854401.db2.gz ONFADDYYMMUQTN-SCLBCKFNSA-N 1 2 409.443 0.935 20 5 HCBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(OC)nc(C)c1[N+](=O)[O-] ZINC001164703052 719854546 /nfs/dbraw/zinc/85/45/46/719854546.db2.gz ONFADDYYMMUQTN-UGSOOPFHSA-N 1 2 409.443 0.935 20 5 HCBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164704201 719931213 /nfs/dbraw/zinc/93/12/13/719931213.db2.gz PGUHDIBFJAEUEY-UHFFFAOYSA-N 1 2 420.861 0.722 20 5 HCBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164705545 719938263 /nfs/dbraw/zinc/93/82/63/719938263.db2.gz ZXSFFQJKLAJJLM-UHFFFAOYSA-N 1 2 403.418 0.813 20 5 HCBDLO Cc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncc1[N+](=O)[O-] ZINC001164708107 719935088 /nfs/dbraw/zinc/93/50/88/719935088.db2.gz CJCUZTKCWAPRTR-UHFFFAOYSA-N 1 2 400.443 0.377 20 5 HCBDLO COc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncc1[N+](=O)[O-] ZINC001164708353 719904093 /nfs/dbraw/zinc/90/40/93/719904093.db2.gz AGPPZWKLBHKOHM-UHFFFAOYSA-N 1 2 415.454 0.682 20 5 HCBDLO COc1ncnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1[N+](=O)[O-] ZINC001164708403 719909563 /nfs/dbraw/zinc/90/95/63/719909563.db2.gz CMSBQDBKVXBLNN-UHFFFAOYSA-N 1 2 416.442 0.077 20 5 HCBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164708693 719903844 /nfs/dbraw/zinc/90/38/44/719903844.db2.gz HGOQLLUYUNDXCN-UHFFFAOYSA-N 1 2 403.418 0.813 20 5 HCBDLO Cc1ncc([N+](=O)[O-])c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708715 719904795 /nfs/dbraw/zinc/90/47/95/719904795.db2.gz IQRJBPABEIHVNB-UHFFFAOYSA-N 1 2 400.443 0.377 20 5 HCBDLO COc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c([N+](=O)[O-])c1 ZINC001164708923 719905559 /nfs/dbraw/zinc/90/55/59/719905559.db2.gz NLUKMQDNXBYXOU-UHFFFAOYSA-N 1 2 415.454 0.682 20 5 HCBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164709094 719922679 /nfs/dbraw/zinc/92/26/79/719922679.db2.gz XRHOCMBXQTTZNX-UHFFFAOYSA-N 1 2 400.443 0.256 20 5 HCBDLO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709239 719915592 /nfs/dbraw/zinc/91/55/92/719915592.db2.gz RFELSHPVICXZDP-UHFFFAOYSA-N 1 2 415.454 0.220 20 5 HCBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164709475 719912673 /nfs/dbraw/zinc/91/26/73/719912673.db2.gz VTKOWIQHMWRDJM-UHFFFAOYSA-N 1 2 400.443 0.256 20 5 HCBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164709499 719913329 /nfs/dbraw/zinc/91/33/29/719913329.db2.gz WPFXSIKDKGPGHW-UHFFFAOYSA-N 1 2 400.443 0.256 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(OC)nc(C)c3[N+](=O)[O-])C2)C1 ZINC001164718185 720249109 /nfs/dbraw/zinc/24/91/09/720249109.db2.gz CNPOSPQVJFYIOB-GOSISDBHSA-N 1 2 408.459 0.367 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(OC)nc(C)c3[N+](=O)[O-])C2)C1 ZINC001164718185 720249102 /nfs/dbraw/zinc/24/91/02/720249102.db2.gz CNPOSPQVJFYIOB-GOSISDBHSA-N 1 2 408.459 0.367 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(OC)nc(C)c3[N+](=O)[O-])C2)C1 ZINC001164718186 720249672 /nfs/dbraw/zinc/24/96/72/720249672.db2.gz CNPOSPQVJFYIOB-SFHVURJKSA-N 1 2 408.459 0.367 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(OC)nc(C)c3[N+](=O)[O-])C2)C1 ZINC001164718186 720249664 /nfs/dbraw/zinc/24/96/64/720249664.db2.gz CNPOSPQVJFYIOB-SFHVURJKSA-N 1 2 408.459 0.367 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(C(=O)OC)c3[N+](=O)[O-])C2)C1 ZINC001164718306 720258624 /nfs/dbraw/zinc/25/86/24/720258624.db2.gz DHPCUFIDVRSKFE-IBGZPJMESA-N 1 2 421.454 0.441 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(C(=O)OC)c3[N+](=O)[O-])C2)C1 ZINC001164718306 720258603 /nfs/dbraw/zinc/25/86/03/720258603.db2.gz DHPCUFIDVRSKFE-IBGZPJMESA-N 1 2 421.454 0.441 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(C(=O)OC)c3[N+](=O)[O-])C2)C1 ZINC001164718308 720259347 /nfs/dbraw/zinc/25/93/47/720259347.db2.gz DHPCUFIDVRSKFE-LJQANCHMSA-N 1 2 421.454 0.441 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(C(=O)OC)c3[N+](=O)[O-])C2)C1 ZINC001164718308 720259342 /nfs/dbraw/zinc/25/93/42/720259342.db2.gz DHPCUFIDVRSKFE-LJQANCHMSA-N 1 2 421.454 0.441 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(OC)c([N+](=O)[O-])c(OC)n3)C2)C1 ZINC001164718337 720249828 /nfs/dbraw/zinc/24/98/28/720249828.db2.gz DUSJKPIFMJTWLQ-GOSISDBHSA-N 1 2 424.458 0.067 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(OC)c([N+](=O)[O-])c(OC)n3)C2)C1 ZINC001164718337 720249810 /nfs/dbraw/zinc/24/98/10/720249810.db2.gz DUSJKPIFMJTWLQ-GOSISDBHSA-N 1 2 424.458 0.067 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(OC)c([N+](=O)[O-])c(OC)n3)C2)C1 ZINC001164718338 720248004 /nfs/dbraw/zinc/24/80/04/720248004.db2.gz DUSJKPIFMJTWLQ-SFHVURJKSA-N 1 2 424.458 0.067 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(OC)c([N+](=O)[O-])c(OC)n3)C2)C1 ZINC001164718338 720247990 /nfs/dbraw/zinc/24/79/90/720247990.db2.gz DUSJKPIFMJTWLQ-SFHVURJKSA-N 1 2 424.458 0.067 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC001164718508 720229619 /nfs/dbraw/zinc/22/96/19/720229619.db2.gz MOUNVUORNGSCCI-KRWDZBQOSA-N 1 2 408.415 0.563 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC001164718508 720229612 /nfs/dbraw/zinc/22/96/12/720229612.db2.gz MOUNVUORNGSCCI-KRWDZBQOSA-N 1 2 408.415 0.563 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC001164718509 720232390 /nfs/dbraw/zinc/23/23/90/720232390.db2.gz MOUNVUORNGSCCI-QGZVFWFLSA-N 1 2 408.415 0.563 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC001164718509 720232384 /nfs/dbraw/zinc/23/23/84/720232384.db2.gz MOUNVUORNGSCCI-QGZVFWFLSA-N 1 2 408.415 0.563 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C2)C1 ZINC001164719036 720256604 /nfs/dbraw/zinc/25/66/04/720256604.db2.gz KMIATZQIAXWJOW-KRWDZBQOSA-N 1 2 413.862 0.546 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C2)C1 ZINC001164719036 720256596 /nfs/dbraw/zinc/25/65/96/720256596.db2.gz KMIATZQIAXWJOW-KRWDZBQOSA-N 1 2 413.862 0.546 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C2)C1 ZINC001164719037 720254869 /nfs/dbraw/zinc/25/48/69/720254869.db2.gz KMIATZQIAXWJOW-QGZVFWFLSA-N 1 2 413.862 0.546 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C2)C1 ZINC001164719037 720254864 /nfs/dbraw/zinc/25/48/64/720254864.db2.gz KMIATZQIAXWJOW-QGZVFWFLSA-N 1 2 413.862 0.546 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C2)C1 ZINC001164720211 720264669 /nfs/dbraw/zinc/26/46/69/720264669.db2.gz SKKQOCSOODFVDA-KRWDZBQOSA-N 1 2 413.862 0.546 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C2)C1 ZINC001164720211 720264656 /nfs/dbraw/zinc/26/46/56/720264656.db2.gz SKKQOCSOODFVDA-KRWDZBQOSA-N 1 2 413.862 0.546 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C2)C1 ZINC001164720212 720263987 /nfs/dbraw/zinc/26/39/87/720263987.db2.gz SKKQOCSOODFVDA-QGZVFWFLSA-N 1 2 413.862 0.546 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C2)C1 ZINC001164720212 720263982 /nfs/dbraw/zinc/26/39/82/720263982.db2.gz SKKQOCSOODFVDA-QGZVFWFLSA-N 1 2 413.862 0.546 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 ZINC001164720497 720232317 /nfs/dbraw/zinc/23/23/17/720232317.db2.gz XNICMLXFTXSULF-IBGZPJMESA-N 1 2 421.454 0.441 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 ZINC001164720497 720232300 /nfs/dbraw/zinc/23/23/00/720232300.db2.gz XNICMLXFTXSULF-IBGZPJMESA-N 1 2 421.454 0.441 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 ZINC001164720499 720231271 /nfs/dbraw/zinc/23/12/71/720231271.db2.gz XNICMLXFTXSULF-LJQANCHMSA-N 1 2 421.454 0.441 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 ZINC001164720499 720231265 /nfs/dbraw/zinc/23/12/65/720231265.db2.gz XNICMLXFTXSULF-LJQANCHMSA-N 1 2 421.454 0.441 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)cc(OC)c3[N+](=O)[O-])C2)C1 ZINC001164720651 720241576 /nfs/dbraw/zinc/24/15/76/720241576.db2.gz ZPJJMWGCTJSCPK-IBGZPJMESA-N 1 2 407.471 0.972 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)cc(OC)c3[N+](=O)[O-])C2)C1 ZINC001164720651 720241562 /nfs/dbraw/zinc/24/15/62/720241562.db2.gz ZPJJMWGCTJSCPK-IBGZPJMESA-N 1 2 407.471 0.972 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)cc(OC)c3[N+](=O)[O-])C2)C1 ZINC001164720662 720242364 /nfs/dbraw/zinc/24/23/64/720242364.db2.gz ZPJJMWGCTJSCPK-LJQANCHMSA-N 1 2 407.471 0.972 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)cc(OC)c3[N+](=O)[O-])C2)C1 ZINC001164720662 720242357 /nfs/dbraw/zinc/24/23/57/720242357.db2.gz ZPJJMWGCTJSCPK-LJQANCHMSA-N 1 2 407.471 0.972 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])C2)C1 ZINC001164723358 720308417 /nfs/dbraw/zinc/30/84/17/720308417.db2.gz OAOGONGTMSEAQB-IBGZPJMESA-N 1 2 421.454 0.441 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])C2)C1 ZINC001164723358 720308411 /nfs/dbraw/zinc/30/84/11/720308411.db2.gz OAOGONGTMSEAQB-IBGZPJMESA-N 1 2 421.454 0.441 20 5 HCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])C2)C1 ZINC001164723359 720307662 /nfs/dbraw/zinc/30/76/62/720307662.db2.gz OAOGONGTMSEAQB-LJQANCHMSA-N 1 2 421.454 0.441 20 5 HCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])C2)C1 ZINC001164723359 720307654 /nfs/dbraw/zinc/30/76/54/720307654.db2.gz OAOGONGTMSEAQB-LJQANCHMSA-N 1 2 421.454 0.441 20 5 HCBDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc([N+](=O)[O-])cc[n+]1[O-])C2 ZINC001164823605 720430880 /nfs/dbraw/zinc/43/08/80/720430880.db2.gz HXBDORYYLVFIGZ-HNNXBMFYSA-N 1 2 418.454 0.414 20 5 HCBDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc([N+](=O)[O-])cc[n+]1[O-])C2 ZINC001164823607 720429951 /nfs/dbraw/zinc/42/99/51/720429951.db2.gz HXBDORYYLVFIGZ-OAHLLOKOSA-N 1 2 418.454 0.414 20 5 HCBDLO Cc1ncc([N+](=O)[O-])c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824535 720446658 /nfs/dbraw/zinc/44/66/58/720446658.db2.gz NTEJPSQCTJOULG-HNNXBMFYSA-N 1 2 417.470 0.879 20 5 HCBDLO Cc1ncc([N+](=O)[O-])c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824540 720447693 /nfs/dbraw/zinc/44/76/93/720447693.db2.gz NTEJPSQCTJOULG-OAHLLOKOSA-N 1 2 417.470 0.879 20 5 HCBDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(N)c([N+](=O)[O-])cn1)C2 ZINC001164830143 720459739 /nfs/dbraw/zinc/45/97/39/720459739.db2.gz JDCRFYLVNNXNNL-AWEZNQCLSA-N 1 2 417.470 0.758 20 5 HCBDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(N)c([N+](=O)[O-])cn1)C2 ZINC001164830161 720459265 /nfs/dbraw/zinc/45/92/65/720459265.db2.gz JDCRFYLVNNXNNL-CQSZACIVSA-N 1 2 417.470 0.758 20 5 HCBDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc([N+](=O)[O-])c(N)n1)C2 ZINC001164830575 720458909 /nfs/dbraw/zinc/45/89/09/720458909.db2.gz KESNMCWMXAWRRK-AWEZNQCLSA-N 1 2 417.470 0.758 20 5 HCBDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc([N+](=O)[O-])c(N)n1)C2 ZINC001164830581 720458513 /nfs/dbraw/zinc/45/85/13/720458513.db2.gz KESNMCWMXAWRRK-CQSZACIVSA-N 1 2 417.470 0.758 20 5 HCBDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc([N+](=O)[O-])cc1N)C2 ZINC001164832679 720469506 /nfs/dbraw/zinc/46/95/06/720469506.db2.gz VMTSSYJKQUPBOX-AWEZNQCLSA-N 1 2 417.470 0.758 20 5 HCBDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc([N+](=O)[O-])cc1N)C2 ZINC001164832680 720469250 /nfs/dbraw/zinc/46/92/50/720469250.db2.gz VMTSSYJKQUPBOX-CQSZACIVSA-N 1 2 417.470 0.758 20 5 HCBDLO Cc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001164833919 720478510 /nfs/dbraw/zinc/47/85/10/720478510.db2.gz QUYQCQFCFBIJNB-HNNXBMFYSA-N 1 2 417.470 0.879 20 5 HCBDLO Cc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001164833926 720478485 /nfs/dbraw/zinc/47/84/85/720478485.db2.gz QUYQCQFCFBIJNB-OAHLLOKOSA-N 1 2 417.470 0.879 20 5 HCBDLO COc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1[N+](=O)[O-] ZINC001164911971 721767759 /nfs/dbraw/zinc/76/77/59/721767759.db2.gz IXGDXQITLIVRPH-IBGZPJMESA-N 1 2 416.438 0.896 20 5 HCBDLO COc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1[N+](=O)[O-] ZINC001164911971 721767755 /nfs/dbraw/zinc/76/77/55/721767755.db2.gz IXGDXQITLIVRPH-IBGZPJMESA-N 1 2 416.438 0.896 20 5 HCBDLO COc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1[N+](=O)[O-] ZINC001164911973 721766919 /nfs/dbraw/zinc/76/69/19/721766919.db2.gz IXGDXQITLIVRPH-LJQANCHMSA-N 1 2 416.438 0.896 20 5 HCBDLO COc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1[N+](=O)[O-] ZINC001164911973 721766916 /nfs/dbraw/zinc/76/69/16/721766916.db2.gz IXGDXQITLIVRPH-LJQANCHMSA-N 1 2 416.438 0.896 20 5 HCBDLO O=[N+]([O-])c1cc[n+]([O-])c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913008 721769313 /nfs/dbraw/zinc/76/93/13/721769313.db2.gz SXKUOVAOFITFIF-IBGZPJMESA-N 1 2 401.423 0.731 20 5 HCBDLO O=[N+]([O-])c1cc[n+]([O-])c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913008 721769310 /nfs/dbraw/zinc/76/93/10/721769310.db2.gz SXKUOVAOFITFIF-IBGZPJMESA-N 1 2 401.423 0.731 20 5 HCBDLO O=[N+]([O-])c1cc[n+]([O-])c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913009 721768894 /nfs/dbraw/zinc/76/88/94/721768894.db2.gz SXKUOVAOFITFIF-LJQANCHMSA-N 1 2 401.423 0.731 20 5 HCBDLO O=[N+]([O-])c1cc[n+]([O-])c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913009 721768892 /nfs/dbraw/zinc/76/88/92/721768892.db2.gz SXKUOVAOFITFIF-LJQANCHMSA-N 1 2 401.423 0.731 20 5 HCBDLO COc1ncnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164914920 721782557 /nfs/dbraw/zinc/78/25/57/721782557.db2.gz HWJBPSWXHUGQGP-IBGZPJMESA-N 1 2 416.438 0.896 20 5 HCBDLO COc1ncnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164914920 721782554 /nfs/dbraw/zinc/78/25/54/721782554.db2.gz HWJBPSWXHUGQGP-IBGZPJMESA-N 1 2 416.438 0.896 20 5 HCBDLO COc1ncnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164914921 721782202 /nfs/dbraw/zinc/78/22/02/721782202.db2.gz HWJBPSWXHUGQGP-LJQANCHMSA-N 1 2 416.438 0.896 20 5 HCBDLO COc1ncnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164914921 721782198 /nfs/dbraw/zinc/78/21/98/721782198.db2.gz HWJBPSWXHUGQGP-LJQANCHMSA-N 1 2 416.438 0.896 20 5 HCBDLO C[N@H+]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC001168536794 1079390058 /nfs/dbraw/zinc/39/00/58/1079390058.db2.gz BKUQHWXTCYANJN-GFCCVEGCSA-N 1 2 405.192 0.948 20 5 HCBDLO C[N@@H+]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC001168536794 1079390047 /nfs/dbraw/zinc/39/00/47/1079390047.db2.gz BKUQHWXTCYANJN-GFCCVEGCSA-N 1 2 405.192 0.948 20 5 HCBDLO C[N@H+]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC001168536795 1079390631 /nfs/dbraw/zinc/39/06/31/1079390631.db2.gz BKUQHWXTCYANJN-LBPRGKRZSA-N 1 2 405.192 0.948 20 5 HCBDLO C[N@@H+]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC001168536795 1079390623 /nfs/dbraw/zinc/39/06/23/1079390623.db2.gz BKUQHWXTCYANJN-LBPRGKRZSA-N 1 2 405.192 0.948 20 5 HCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC001212192506 1074280416 /nfs/dbraw/zinc/28/04/16/1074280416.db2.gz BHIZXGHVZGFUHP-GFCCVEGCSA-N 1 2 408.436 0.868 20 5 HCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC001212192506 1074280407 /nfs/dbraw/zinc/28/04/07/1074280407.db2.gz BHIZXGHVZGFUHP-GFCCVEGCSA-N 1 2 408.436 0.868 20 5 HCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC001212192507 1074280659 /nfs/dbraw/zinc/28/06/59/1074280659.db2.gz BHIZXGHVZGFUHP-LBPRGKRZSA-N 1 2 408.436 0.868 20 5 HCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC001212192507 1074280653 /nfs/dbraw/zinc/28/06/53/1074280653.db2.gz BHIZXGHVZGFUHP-LBPRGKRZSA-N 1 2 408.436 0.868 20 5 HCBDLO CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)C1=O ZINC001212309364 1078818263 /nfs/dbraw/zinc/81/82/63/1078818263.db2.gz PKNQLEBUNAHREX-CYBMUJFWSA-N 1 2 400.432 0.707 20 5 HCBDLO CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)C1=O ZINC001212309366 1078818303 /nfs/dbraw/zinc/81/83/03/1078818303.db2.gz PKNQLEBUNAHREX-ZDUSSCGKSA-N 1 2 400.432 0.707 20 5 HCBDLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 ZINC001212343531 1078852043 /nfs/dbraw/zinc/85/20/43/1078852043.db2.gz DNRYPMSPDISUJP-UHFFFAOYSA-N 1 2 416.504 0.422 20 5 HCBDLO