smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2c(ccc1Cl)[C@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]31)C(=O)N2 ZINC000002356964 552101300 /nfs/dbraw/zinc/10/13/00/552101300.db2.gz UTOXIFKEGRUGKK-ZLAJIECUSA-N 0 1 532.340 2.401 50 5 KEBAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]31)C(=O)N2 ZINC000002356966 552101235 /nfs/dbraw/zinc/10/12/35/552101235.db2.gz UTOXIFKEGRUGKK-SWDAYOAKSA-N 0 1 532.340 2.401 50 5 KEBAMN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]31)C(=O)N2 ZINC000002356969 552101263 /nfs/dbraw/zinc/10/12/63/552101263.db2.gz UTOXIFKEGRUGKK-TWFFJXMTSA-N 0 1 532.340 2.401 50 5 KEBAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]31)C(=O)N2 ZINC000002356971 552101296 /nfs/dbraw/zinc/10/12/96/552101296.db2.gz UTOXIFKEGRUGKK-OLWVPUELSA-N 0 1 532.340 2.401 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccccc1 ZINC000002797262 1066439479 /nfs/dbraw/zinc/43/94/79/1066439479.db2.gz BUVZEDMCHLBEAV-PBMMVTTKSA-N 0 1 547.637 2.458 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002797264 1066439582 /nfs/dbraw/zinc/43/95/82/1066439582.db2.gz BUVZEDMCHLBEAV-IVNHJSRESA-N 0 1 547.637 2.458 50 5 KEBAMN NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000004018286 552429147 /nfs/dbraw/zinc/42/91/47/552429147.db2.gz UBFDDOUHYRSPJJ-ZEQRLZLVSA-N 0 1 504.543 2.052 50 5 KEBAMN NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000004018287 552429093 /nfs/dbraw/zinc/42/90/93/552429093.db2.gz UBFDDOUHYRSPJJ-RPWUZVMVSA-N 0 1 504.543 2.052 50 5 KEBAMN NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000004018288 552429164 /nfs/dbraw/zinc/42/91/64/552429164.db2.gz UBFDDOUHYRSPJJ-BJKOFHAPSA-N 0 1 504.543 2.052 50 5 KEBAMN NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000004018289 552429158 /nfs/dbraw/zinc/42/91/58/552429158.db2.gz UBFDDOUHYRSPJJ-DNQXCXABSA-N 0 1 504.543 2.052 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004182081 552446828 /nfs/dbraw/zinc/44/68/28/552446828.db2.gz ORAQNDMBKYAIHM-VMOHIOPYSA-N 0 1 555.565 2.438 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000004182083 552446902 /nfs/dbraw/zinc/44/69/02/552446902.db2.gz ORAQNDMBKYAIHM-IYMWYRQMSA-N 0 1 555.565 2.438 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008399788 553002055 /nfs/dbraw/zinc/00/20/55/553002055.db2.gz GFDRTJRQOWLBSL-ABBNRAPFSA-N 0 1 637.715 2.484 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008399792 553002079 /nfs/dbraw/zinc/00/20/79/553002079.db2.gz GFDRTJRQOWLBSL-CSJROMOCSA-N 0 1 637.715 2.484 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000008399967 553002927 /nfs/dbraw/zinc/00/29/27/553002927.db2.gz POEYCLHFRBEPTM-QTTRZTASSA-N 0 1 607.689 2.476 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000008399969 553002975 /nfs/dbraw/zinc/00/29/75/553002975.db2.gz POEYCLHFRBEPTM-QPJBPQEWSA-N 0 1 607.689 2.476 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000008399979 553002894 /nfs/dbraw/zinc/00/28/94/553002894.db2.gz VMSUSRCXMPPWIQ-OGRZUZBBSA-N 0 1 577.663 2.467 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccccc1OC ZINC000008399981 553002943 /nfs/dbraw/zinc/00/29/43/553002943.db2.gz VMSUSRCXMPPWIQ-ASSGYOTOSA-N 0 1 577.663 2.467 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008399988 553002900 /nfs/dbraw/zinc/00/29/00/553002900.db2.gz BUVZEDMCHLBEAV-LBKCIFGTSA-N 0 1 547.637 2.458 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccccc1 ZINC000008399993 553002980 /nfs/dbraw/zinc/00/29/80/553002980.db2.gz BUVZEDMCHLBEAV-QXHVWWCLSA-N 0 1 547.637 2.458 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008399994 553002919 /nfs/dbraw/zinc/00/29/19/553002919.db2.gz QRCBRZXJRCTDFC-OGRZUZBBSA-N 0 1 577.663 2.467 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008399998 553003170 /nfs/dbraw/zinc/00/31/70/553003170.db2.gz QRCBRZXJRCTDFC-ASSGYOTOSA-N 0 1 577.663 2.467 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008400001 553003152 /nfs/dbraw/zinc/00/31/52/553003152.db2.gz YLOULKYFKJWXEN-ABBNRAPFSA-N 0 1 607.689 2.476 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008400003 553003130 /nfs/dbraw/zinc/00/31/30/553003130.db2.gz YLOULKYFKJWXEN-CSJROMOCSA-N 0 1 607.689 2.476 50 5 KEBAMN O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008892170 553176535 /nfs/dbraw/zinc/17/65/35/553176535.db2.gz LXNHTJMMTLMMAG-PXDATVDWSA-N 0 1 507.503 2.302 50 5 KEBAMN O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008892171 553176523 /nfs/dbraw/zinc/17/65/23/553176523.db2.gz LXNHTJMMTLMMAG-BWKNWUBXSA-N 0 1 507.503 2.302 50 5 KEBAMN O=c1c(C(c2cccc([N+](=O)[O-])c2)c2c(O)nc3n(c2=O)CCCS3)c(O)nc2n1CCCS2 ZINC000009065158 553205737 /nfs/dbraw/zinc/20/57/37/553205737.db2.gz MAPPWCHRTRULKW-UHFFFAOYSA-N 0 1 501.546 2.291 50 5 KEBAMN O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ncccn4)C[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000009344308 553243818 /nfs/dbraw/zinc/24/38/18/553243818.db2.gz JBWXWSGRQSHLLH-NBGIEHNGSA-N 0 1 517.477 2.045 50 5 KEBAMN COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2=O)cc1OC ZINC000009599492 553285714 /nfs/dbraw/zinc/28/57/14/553285714.db2.gz WKCBHNJFXDUHHS-UHFFFAOYSA-N 0 1 500.493 2.261 50 5 KEBAMN CCOC(=O)C1C(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000012412571 553364143 /nfs/dbraw/zinc/36/41/43/553364143.db2.gz IQCVIMPQRFRPOL-HSZRJFAPSA-N 0 1 509.519 2.317 50 5 KEBAMN CCOC(=O)C1C(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000012412573 553364158 /nfs/dbraw/zinc/36/41/58/553364158.db2.gz IQCVIMPQRFRPOL-QHCPKHFHSA-N 0 1 509.519 2.317 50 5 KEBAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012522263 553382949 /nfs/dbraw/zinc/38/29/49/553382949.db2.gz SSYWGHLHSZZESE-BJMVGYQFSA-N 0 1 529.619 2.410 50 5 KEBAMN Cn1nnnc1Sc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1[N+](=O)[O-] ZINC000012531656 553386400 /nfs/dbraw/zinc/38/64/00/553386400.db2.gz GEFLKBJJEIPHAO-UHFFFAOYSA-N 0 1 513.521 2.113 50 5 KEBAMN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000012569837 553398023 /nfs/dbraw/zinc/39/80/23/553398023.db2.gz MCIXFBWBYCCDOL-UHFFFAOYSA-N 0 1 504.546 2.016 50 5 KEBAMN CCOC(=O)C1C(COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000012632524 553405937 /nfs/dbraw/zinc/40/59/37/553405937.db2.gz YMMPBAFGOPEBQL-HXUWFJFHSA-N 0 1 516.894 2.393 50 5 KEBAMN CCOC(=O)C1C(COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000012632527 553405922 /nfs/dbraw/zinc/40/59/22/553405922.db2.gz YMMPBAFGOPEBQL-FQEVSTJZSA-N 0 1 516.894 2.393 50 5 KEBAMN O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ncccn4)C[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000013628770 553478464 /nfs/dbraw/zinc/47/84/64/553478464.db2.gz JBWXWSGRQSHLLH-NLFFAJNJSA-N 0 1 517.477 2.045 50 5 KEBAMN O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ncccn4)C[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000013628773 553478528 /nfs/dbraw/zinc/47/85/28/553478528.db2.gz JBWXWSGRQSHLLH-CJFMBICVSA-N 0 1 517.477 2.045 50 5 KEBAMN O=c1c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)nc3n(c2=O)CCCS3)c(O)nc2n1CCCS2 ZINC000013763527 553488702 /nfs/dbraw/zinc/48/87/02/553488702.db2.gz CQNYNTMPIVJGLA-UHFFFAOYSA-N 0 1 501.546 2.291 50 5 KEBAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000014359983 553513812 /nfs/dbraw/zinc/51/38/12/553513812.db2.gz WNFAEDOVYONHBQ-UHFFFAOYSA-N 0 1 503.581 2.010 50 5 KEBAMN COc1ccc(CCN2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1OC ZINC000016956666 553584984 /nfs/dbraw/zinc/58/49/84/553584984.db2.gz PPILOSHPZOWMKC-GJZUVCINSA-N 0 1 523.546 2.436 50 5 KEBAMN COc1ccc(CCN2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[N@H+](C)C[C@@H]43)C2=O)cc1OC ZINC000016956666 553584981 /nfs/dbraw/zinc/58/49/81/553584981.db2.gz PPILOSHPZOWMKC-GJZUVCINSA-N 0 1 523.546 2.436 50 5 KEBAMN COc1ccc(CCN2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1OC ZINC000016956667 553584995 /nfs/dbraw/zinc/58/49/95/553584995.db2.gz PPILOSHPZOWMKC-ATIYNZHBSA-N 0 1 523.546 2.436 50 5 KEBAMN COc1ccc(CCN2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[N@H+](C)C[C@@H]43)C2=O)cc1OC ZINC000016956667 553584994 /nfs/dbraw/zinc/58/49/94/553584994.db2.gz PPILOSHPZOWMKC-ATIYNZHBSA-N 0 1 523.546 2.436 50 5 KEBAMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000023043461 553769126 /nfs/dbraw/zinc/76/91/26/553769126.db2.gz HOKHQXJXBWETQT-UHFFFAOYSA-N 0 1 521.644 2.219 50 5 KEBAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000033000560 553888022 /nfs/dbraw/zinc/88/80/22/553888022.db2.gz XDIULPQFCNDLMR-UHFFFAOYSA-N 0 1 509.610 2.071 50 5 KEBAMN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000035894803 554091788 /nfs/dbraw/zinc/09/17/88/554091788.db2.gz DFYLXPJHAKSFCY-AHWVRZQESA-N 0 1 511.598 2.436 50 5 KEBAMN Cc1ccc(CN2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)c5cccc([N+](=O)[O-])c5)CC4)n3)CC2)cc1 ZINC000035926564 554100148 /nfs/dbraw/zinc/10/01/48/554100148.db2.gz IBCMYGOJUOTATG-UHFFFAOYSA-N 0 1 531.617 2.267 50 5 KEBAMN COc1ccc(CCN2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[N@@H+](C)C[C@H]43)C2=O)cc1OC ZINC000036329566 554219824 /nfs/dbraw/zinc/21/98/24/554219824.db2.gz PPILOSHPZOWMKC-BKMJKUGQSA-N 0 1 523.546 2.436 50 5 KEBAMN COc1ccc(CCN2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[N@H+](C)C[C@H]43)C2=O)cc1OC ZINC000036329566 554219822 /nfs/dbraw/zinc/21/98/22/554219822.db2.gz PPILOSHPZOWMKC-BKMJKUGQSA-N 0 1 523.546 2.436 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000059222116 554385589 /nfs/dbraw/zinc/38/55/89/554385589.db2.gz HZQILHNEJUZEQM-QTTRZTASSA-N 0 1 607.689 2.476 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000059222117 554385525 /nfs/dbraw/zinc/38/55/25/554385525.db2.gz HZQILHNEJUZEQM-QPJBPQEWSA-N 0 1 607.689 2.476 50 5 KEBAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000097986653 1066420039 /nfs/dbraw/zinc/42/00/39/1066420039.db2.gz SSYWGHLHSZZESE-YHYXMXQVSA-N 0 1 529.619 2.410 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100067632 554200020 /nfs/dbraw/zinc/20/00/20/554200020.db2.gz UJZPOFAPDJBVQD-PRWBYUBPSA-N 0 1 525.539 2.429 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100067635 554200044 /nfs/dbraw/zinc/20/00/44/554200044.db2.gz UJZPOFAPDJBVQD-SRKIZSPNSA-N 0 1 525.539 2.429 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000100747287 554465637 /nfs/dbraw/zinc/46/56/37/554465637.db2.gz DHWSMZYRWRUBTJ-OGRZUZBBSA-N 0 1 577.663 2.467 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000100747291 554465535 /nfs/dbraw/zinc/46/55/35/554465535.db2.gz DHWSMZYRWRUBTJ-ASSGYOTOSA-N 0 1 577.663 2.467 50 5 KEBAMN O=C1NC(=O)C2(C(=O)N1)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)N[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101284216 554705477 /nfs/dbraw/zinc/70/54/77/554705477.db2.gz QANLCIFRKDGWKG-OKILXGFUSA-N 0 1 539.313 2.422 50 5 KEBAMN O=C1NC(=O)C2(C(=O)N1)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)N[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101284217 554705508 /nfs/dbraw/zinc/70/55/08/554705508.db2.gz QANLCIFRKDGWKG-KBPBESRZSA-N 0 1 539.313 2.422 50 5 KEBAMN O=C1NC(=O)C2(C(=O)N1)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)N[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101284218 554705523 /nfs/dbraw/zinc/70/55/23/554705523.db2.gz QANLCIFRKDGWKG-ZIAGYGMSSA-N 0 1 539.313 2.422 50 5 KEBAMN O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000104920685 571387845 /nfs/dbraw/zinc/38/78/45/571387845.db2.gz DFYLXPJHAKSFCY-AOYPEHQESA-N 0 1 511.598 2.436 50 5 KEBAMN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000104920686 571387710 /nfs/dbraw/zinc/38/77/10/571387710.db2.gz DFYLXPJHAKSFCY-AZGAKELHSA-N 0 1 511.598 2.436 50 5 KEBAMN O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169678412 571555592 /nfs/dbraw/zinc/55/55/92/571555592.db2.gz DFYLXPJHAKSFCY-RSXGOPAZSA-N 0 1 511.598 2.436 50 5 KEBAMN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CCC(N)=O)[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]31)C(=O)N2 ZINC000229636319 572158442 /nfs/dbraw/zinc/15/84/42/572158442.db2.gz UTOXIFKEGRUGKK-PIJCVIKBSA-N 0 1 532.340 2.401 50 5 KEBAMN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]31)C(=O)N2 ZINC000230018785 572179301 /nfs/dbraw/zinc/17/93/01/572179301.db2.gz UTOXIFKEGRUGKK-YMYXXHFHSA-N 0 1 532.340 2.401 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252666536 572273303 /nfs/dbraw/zinc/27/33/03/572273303.db2.gz BUVZEDMCHLBEAV-RUZDIDTESA-N 0 1 547.637 2.458 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccccc1 ZINC000252666537 572273279 /nfs/dbraw/zinc/27/32/79/572273279.db2.gz BUVZEDMCHLBEAV-VWLOTQADSA-N 0 1 547.637 2.458 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000252669022 572274454 /nfs/dbraw/zinc/27/44/54/572274454.db2.gz GFDRTJRQOWLBSL-HHHXNRCGSA-N 0 1 637.715 2.484 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000252669023 572274377 /nfs/dbraw/zinc/27/43/77/572274377.db2.gz GFDRTJRQOWLBSL-MHZLTWQESA-N 0 1 637.715 2.484 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000252672209 572277634 /nfs/dbraw/zinc/27/76/34/572277634.db2.gz POEYCLHFRBEPTM-HHHXNRCGSA-N 0 1 607.689 2.476 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000252672210 572277599 /nfs/dbraw/zinc/27/75/99/572277599.db2.gz POEYCLHFRBEPTM-MHZLTWQESA-N 0 1 607.689 2.476 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252673021 572278046 /nfs/dbraw/zinc/27/80/46/572278046.db2.gz QRCBRZXJRCTDFC-AREMUKBSSA-N 0 1 577.663 2.467 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252673022 572278071 /nfs/dbraw/zinc/27/80/71/572278071.db2.gz QRCBRZXJRCTDFC-SANMLTNESA-N 0 1 577.663 2.467 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000252675932 572279632 /nfs/dbraw/zinc/27/96/32/572279632.db2.gz VMSUSRCXMPPWIQ-AREMUKBSSA-N 0 1 577.663 2.467 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccccc1OC ZINC000252675933 572279603 /nfs/dbraw/zinc/27/96/03/572279603.db2.gz VMSUSRCXMPPWIQ-SANMLTNESA-N 0 1 577.663 2.467 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252677353 572280619 /nfs/dbraw/zinc/28/06/19/572280619.db2.gz YLOULKYFKJWXEN-HHHXNRCGSA-N 0 1 607.689 2.476 50 5 KEBAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252677354 572280744 /nfs/dbraw/zinc/28/07/44/572280744.db2.gz YLOULKYFKJWXEN-MHZLTWQESA-N 0 1 607.689 2.476 50 5 KEBAMN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CCC(N)=O)[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]31)C(=O)N2 ZINC000253487976 572291167 /nfs/dbraw/zinc/29/11/67/572291167.db2.gz UTOXIFKEGRUGKK-RIDYXINGSA-N 0 1 532.340 2.401 50 5 KEBAMN