smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CC[C@H](Oc2ccc(C[N@H+]3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000001494176 561676535 /nfs/dbraw/zinc/67/65/35/561676535.db2.gz XESAEBNNDALGPZ-MSOLQXFVSA-N 2 2 527.290 4.843 1 0 KJAFLP C[NH+]1CC[C@H](Oc2ccc(C[N@@H+]3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000001494176 561676533 /nfs/dbraw/zinc/67/65/33/561676533.db2.gz XESAEBNNDALGPZ-MSOLQXFVSA-N 2 2 527.290 4.843 1 0 KJAFLP C[N@H+]1CC[C@H](Oc2ccc(C[NH+]3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000001494176 561676531 /nfs/dbraw/zinc/67/65/31/561676531.db2.gz XESAEBNNDALGPZ-MSOLQXFVSA-N 2 2 527.290 4.843 1 0 KJAFLP C[N@@H+]1CC[C@H](Oc2ccc(C[NH+]3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000001494176 561676529 /nfs/dbraw/zinc/67/65/29/561676529.db2.gz XESAEBNNDALGPZ-MSOLQXFVSA-N 2 2 527.290 4.843 1 0 KJAFLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc2)c(Cl)c1 ZINC000001727762 561679373 /nfs/dbraw/zinc/67/93/73/561679373.db2.gz BWSPUQAAKXWTTA-UHFFFAOYSA-N 2 2 548.452 4.526 1 0 KJAFLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(S(=O)(=O)Oc3cccc(Cl)c3)cc2)c(Cl)c1 ZINC000001727764 561679351 /nfs/dbraw/zinc/67/93/51/561679351.db2.gz AFRALTBVZXFIJD-UHFFFAOYSA-N 2 2 548.452 4.526 1 0 KJAFLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(S(=O)(=O)Oc3cccc(C(F)(F)F)c3)cc2)c(Cl)c1 ZINC000001727969 561679318 /nfs/dbraw/zinc/67/93/18/561679318.db2.gz PKLGQTUCHQZNQO-UHFFFAOYSA-N 2 2 582.004 4.891 1 0 KJAFLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccccc3Cl)cc2)c(Cl)c1 ZINC000001727975 561679535 /nfs/dbraw/zinc/67/95/35/561679535.db2.gz WYCUZHWJRDYIRP-UHFFFAOYSA-N 2 2 548.452 4.526 1 0 KJAFLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccccc3C(F)(F)F)cc2)c(Cl)c1 ZINC000001728480 561679517 /nfs/dbraw/zinc/67/95/17/561679517.db2.gz WAGOLMNHOYAJPC-UHFFFAOYSA-N 2 2 582.004 4.891 1 0 KJAFLP C[NH+]1CC[C@@H](Oc2ccc(C[N@H+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000003964102 561691276 /nfs/dbraw/zinc/69/12/76/561691276.db2.gz XESAEBNNDALGPZ-ZWKOTPCHSA-N 2 2 527.290 4.843 1 0 KJAFLP C[NH+]1CC[C@@H](Oc2ccc(C[N@@H+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000003964102 561691275 /nfs/dbraw/zinc/69/12/75/561691275.db2.gz XESAEBNNDALGPZ-ZWKOTPCHSA-N 2 2 527.290 4.843 1 0 KJAFLP C[N@H+]1CC[C@@H](Oc2ccc(C[NH+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000003964102 561691272 /nfs/dbraw/zinc/69/12/72/561691272.db2.gz XESAEBNNDALGPZ-ZWKOTPCHSA-N 2 2 527.290 4.843 1 0 KJAFLP C[N@@H+]1CC[C@@H](Oc2ccc(C[NH+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000003964102 561691271 /nfs/dbraw/zinc/69/12/71/561691271.db2.gz XESAEBNNDALGPZ-ZWKOTPCHSA-N 2 2 527.290 4.843 1 0 KJAFLP O=C(NCCCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438594 561712269 /nfs/dbraw/zinc/71/22/69/561712269.db2.gz HYAIONDADCANQM-JGCGQSQUSA-N 2 2 540.752 4.974 1 0 KJAFLP O=C(NCCCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438594 561712268 /nfs/dbraw/zinc/71/22/68/561712268.db2.gz HYAIONDADCANQM-JGCGQSQUSA-N 2 2 540.752 4.974 1 0 KJAFLP O=C(NCCCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438599 561712249 /nfs/dbraw/zinc/71/22/49/561712249.db2.gz HYAIONDADCANQM-YTTGMZPUSA-N 2 2 540.752 4.974 1 0 KJAFLP O=C(NCCCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438599 561712248 /nfs/dbraw/zinc/71/22/48/561712248.db2.gz HYAIONDADCANQM-YTTGMZPUSA-N 2 2 540.752 4.974 1 0 KJAFLP CCc1[nH+]c2c(ccc(OC3CCN(C(C)=[NH2+])CC3)c2NC(C)=O)n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000013441136 561712762 /nfs/dbraw/zinc/71/27/62/561712762.db2.gz IMFOAYUDZBQOFF-UHFFFAOYSA-N 3 2 525.657 4.883 1 0 KJAFLP C[NH+]1CCC=C(c2nsnc2OCCCCCCCCOc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000013471092 561713942 /nfs/dbraw/zinc/71/39/42/561713942.db2.gz RYMPNGRNVBLMDN-UHFFFAOYSA-N 2 2 504.726 4.626 1 0 KJAFLP C[NH+]1CCC=C(c2nsnc2OCCCCCCCCOc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000013471092 561713940 /nfs/dbraw/zinc/71/39/40/561713940.db2.gz RYMPNGRNVBLMDN-UHFFFAOYSA-N 2 2 504.726 4.626 1 0 KJAFLP CCCCc1[nH+]cc(C=C2C(=O)N(CCCC)C(=O)N2Cc2c[nH]c(C)[nH+]2)n1Cc1ccc(C(=O)OC)cc1 ZINC000013743393 561726472 /nfs/dbraw/zinc/72/64/72/561726472.db2.gz CJGYJSWDKGWHBU-MYYYXRDXSA-N 2 2 532.645 4.698 1 0 KJAFLP CCCCc1[nH+]cc(C=C2C(=O)N(CCCC)C(=O)N2Cc2c[nH+]c(C)[nH]2)n1Cc1ccc(C(=O)OC)cc1 ZINC000013743393 561726471 /nfs/dbraw/zinc/72/64/71/561726471.db2.gz CJGYJSWDKGWHBU-MYYYXRDXSA-N 2 2 532.645 4.698 1 0 KJAFLP CC[N@H+](Cc1ccccc1OC)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000013746518 561726759 /nfs/dbraw/zinc/72/67/59/561726759.db2.gz YSNJFMSCCAMDGK-MUUNZHRXSA-N 2 2 539.724 4.548 1 0 KJAFLP CC[N@@H+](Cc1ccccc1OC)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000013746518 561726757 /nfs/dbraw/zinc/72/67/57/561726757.db2.gz YSNJFMSCCAMDGK-MUUNZHRXSA-N 2 2 539.724 4.548 1 0 KJAFLP CC[N@H+](Cc1ccccc1OC)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000013746521 561726725 /nfs/dbraw/zinc/72/67/25/561726725.db2.gz YSNJFMSCCAMDGK-NDEPHWFRSA-N 2 2 539.724 4.548 1 0 KJAFLP CC[N@@H+](Cc1ccccc1OC)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000013746521 561726724 /nfs/dbraw/zinc/72/67/24/561726724.db2.gz YSNJFMSCCAMDGK-NDEPHWFRSA-N 2 2 539.724 4.548 1 0 KJAFLP CN(C)C(=O)c1c[nH+]c2ccccc2c1NCCC[NH+]1CCN(c2ccccc2OCC(F)(F)F)CC1 ZINC000013764583 561728301 /nfs/dbraw/zinc/72/83/01/561728301.db2.gz ASVLTVMZMRWUDI-UHFFFAOYSA-N 2 2 515.580 4.502 1 0 KJAFLP S=C(NCCCNc1cccc[nH+]1)NCCCN(Cc1ccc(Br)cc1)c1cccc[nH+]1 ZINC000013782012 561729615 /nfs/dbraw/zinc/72/96/15/561729615.db2.gz LPFGEJGDBQHPNH-UHFFFAOYSA-N 2 2 513.509 4.602 1 0 KJAFLP C[NH+]1CC[C@H](Oc2ccc(C[N@H+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000014140581 561737128 /nfs/dbraw/zinc/73/71/28/561737128.db2.gz XESAEBNNDALGPZ-ROUUACIJSA-N 2 2 527.290 4.843 1 0 KJAFLP C[NH+]1CC[C@H](Oc2ccc(C[N@@H+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000014140581 561737125 /nfs/dbraw/zinc/73/71/25/561737125.db2.gz XESAEBNNDALGPZ-ROUUACIJSA-N 2 2 527.290 4.843 1 0 KJAFLP C[N@H+]1CC[C@H](Oc2ccc(C[NH+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000014140581 561737124 /nfs/dbraw/zinc/73/71/24/561737124.db2.gz XESAEBNNDALGPZ-ROUUACIJSA-N 2 2 527.290 4.843 1 0 KJAFLP C[N@@H+]1CC[C@H](Oc2ccc(C[NH+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000014140581 561737122 /nfs/dbraw/zinc/73/71/22/561737122.db2.gz XESAEBNNDALGPZ-ROUUACIJSA-N 2 2 527.290 4.843 1 0 KJAFLP CCN(c1[nH+]cccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NC(=O)N4CC[NH+](C)CC4)ccc3[nH]2)CC1 ZINC000014943755 561741997 /nfs/dbraw/zinc/74/19/97/561741997.db2.gz RYVGFQYOLRHQKG-UHFFFAOYSA-N 2 2 560.747 4.684 1 0 KJAFLP CCCN(c1[nH+]cccc1NC(C)C)C1CCN(C(=O)c2cc3cc(NC(=O)N4CC[NH+](C)CC4)ccc3[nH]2)CC1 ZINC000014943760 561742006 /nfs/dbraw/zinc/74/20/06/561742006.db2.gz LUFPANDAJTYMAK-UHFFFAOYSA-N 2 2 560.747 4.684 1 0 KJAFLP Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(-n2cc[nH+]c2C)c1 ZINC000014950383 561745492 /nfs/dbraw/zinc/74/54/92/561745492.db2.gz GIZJTKMNZOZPFC-UHFFFAOYSA-N 2 2 547.501 4.855 1 0 KJAFLP CNC(=O)c1cc(Oc2ccc3[nH+]c(Nc4ccc(C(F)(F)F)c(OCC[NH+](C)C)c4)[nH]c3c2)ccn1 ZINC000014965242 561749431 /nfs/dbraw/zinc/74/94/31/561749431.db2.gz ZKSUUBLMUIKQJD-UHFFFAOYSA-N 2 2 514.508 4.813 1 0 KJAFLP COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1cc2ccccc2n1C ZINC000016051846 561753769 /nfs/dbraw/zinc/75/37/69/561753769.db2.gz CMFPSTWYLODPNE-UHFFFAOYSA-N 2 2 580.693 4.644 1 0 in-vivo KJAFLP C[C@@H](C[NH+]1CCN(C[C@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927977 561760139 /nfs/dbraw/zinc/76/01/39/561760139.db2.gz BBLLVWVCYKBQBL-SUYBVONHSA-N 2 2 514.689 4.826 1 0 KJAFLP C[C@H](C[NH+]1CCN(C[C@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927980 561760073 /nfs/dbraw/zinc/76/00/73/561760073.db2.gz BBLLVWVCYKBQBL-MXBOTTGLSA-N 2 2 514.689 4.826 1 0 KJAFLP C[C@@H](C[NH+]1CCN(C[C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927984 561760128 /nfs/dbraw/zinc/76/01/28/561760128.db2.gz BBLLVWVCYKBQBL-HVNZXBJASA-N 2 2 514.689 4.826 1 0 KJAFLP C[C@H](C[NH+]1CCN(C[C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927989 561760093 /nfs/dbraw/zinc/76/00/93/561760093.db2.gz BBLLVWVCYKBQBL-NEEKEDPPSA-N 2 2 514.689 4.826 1 0 KJAFLP C[C@@H](C[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000022928044 561760033 /nfs/dbraw/zinc/76/00/33/561760033.db2.gz UZPSLFYNTAUAHT-RXFWQSSRSA-N 2 2 521.508 4.558 1 0 KJAFLP C[C@H](C[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000022928050 561760130 /nfs/dbraw/zinc/76/01/30/561760130.db2.gz UZPSLFYNTAUAHT-FQRUVTKNSA-N 2 2 521.508 4.558 1 0 KJAFLP C[C@@H](C[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000022928054 561760097 /nfs/dbraw/zinc/76/00/97/561760097.db2.gz UZPSLFYNTAUAHT-FNZWTVRRSA-N 2 2 521.508 4.558 1 0 KJAFLP C[C@H](C[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000022928059 561760077 /nfs/dbraw/zinc/76/00/77/561760077.db2.gz UZPSLFYNTAUAHT-IBVKSMDESA-N 2 2 521.508 4.558 1 0 KJAFLP COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(CCc3[nH]cc(-c4cccs4)[nH+]3)cc2)cc1OC ZINC000026016851 561766331 /nfs/dbraw/zinc/76/63/31/561766331.db2.gz FGDZLWZCGPFFOS-JOCHJYFZSA-N 2 2 507.656 4.513 1 0 KJAFLP COc1ccc(CC[NH2+]C[C@H](O)COc2ccc(CCc3[nH]cc(-c4cccs4)[nH+]3)cc2)cc1OC ZINC000026016858 561766364 /nfs/dbraw/zinc/76/63/64/561766364.db2.gz FGDZLWZCGPFFOS-QFIPXVFZSA-N 2 2 507.656 4.513 1 0 KJAFLP CC(C)NC(=O)N(CC[N@@H+](C)CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CC[NH+]1CCOCC1 ZINC000026019201 561766646 /nfs/dbraw/zinc/76/66/46/561766646.db2.gz OZXSADUUGFAWPU-UHFFFAOYSA-N 2 2 550.773 4.520 1 0 KJAFLP CC(C)NC(=O)N(CC[N@H+](C)CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CC[NH+]1CCOCC1 ZINC000026019201 561766644 /nfs/dbraw/zinc/76/66/44/561766644.db2.gz OZXSADUUGFAWPU-UHFFFAOYSA-N 2 2 550.773 4.520 1 0 KJAFLP COc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026260792 561775395 /nfs/dbraw/zinc/77/53/95/561775395.db2.gz CBYOVXGNAZQSRG-UHFFFAOYSA-N 2 2 629.633 4.752 1 0 KJAFLP COc1ccccc1OCC[NH+]1CCN(c2ccc(=O)n(CCCCCCC[NH+]3CCN(c4ccccc4Cl)CC3)n2)CC1 ZINC000026267182 561776524 /nfs/dbraw/zinc/77/65/24/561776524.db2.gz ULIGEVVLHYBGIH-UHFFFAOYSA-N 2 2 623.242 4.879 1 0 KJAFLP C=C1[NH+]=C(C)C(C(=O)OC)[C@H](c2ccc(C3C(C(=O)OC)C(=C)[NH2+]C(=C)C3C(=O)OC)cc2)C1C(=O)OC ZINC000026388357 561785108 /nfs/dbraw/zinc/78/51/08/561785108.db2.gz WMXPMXSPGANUFU-DGLGXAKCSA-N 2 2 524.570 4.529 1 0 KJAFLP O=C(c1ccc(F)cc1)C1CC[NH+](CCN2C(=O)OCc3cc(CCCC[NH+]4CCOCC4)ccc32)CC1 ZINC000026575960 561799662 /nfs/dbraw/zinc/79/96/62/561799662.db2.gz JDZYVIOTRKFEGM-UHFFFAOYSA-N 2 2 523.649 4.532 1 0 KJAFLP Cc1[nH+]c2ccccc2n1CCCCc1ccc([C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC2CCCCC2)cc1 ZINC000026579381 561804525 /nfs/dbraw/zinc/80/45/25/561804525.db2.gz ZLAOLUDQGGMLHW-KUSJRIKGSA-N 2 2 660.904 4.649 1 0 KJAFLP Cc1[nH+]c2ccccc2n1CCCCc1ccc([C@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC2CCCCC2)cc1 ZINC000026579382 561804475 /nfs/dbraw/zinc/80/44/75/561804475.db2.gz ZLAOLUDQGGMLHW-HPFIMXAPSA-N 2 2 660.904 4.649 1 0 KJAFLP C[NH+]1CCN(Cc2cc(NC(=O)C[NH+]3CCCCC3)cc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)CC1 ZINC000026671499 561812534 /nfs/dbraw/zinc/81/25/34/561812534.db2.gz UGMZPIVFTQSPMP-UHFFFAOYSA-N 2 2 507.082 4.804 1 0 KJAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(O)cc(O)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026847821 561826778 /nfs/dbraw/zinc/82/67/78/561826778.db2.gz VLRUJAUNTLRVJZ-GDLZYMKVSA-N 2 2 597.543 4.685 1 0 KJAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(O)cc(O)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026847828 561826754 /nfs/dbraw/zinc/82/67/54/561826754.db2.gz VLRUJAUNTLRVJZ-LJAQVGFWSA-N 2 2 597.543 4.685 1 0 KJAFLP Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(Cc4[nH]cc[nH+]4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026851722 561827270 /nfs/dbraw/zinc/82/72/70/561827270.db2.gz WFWJOZNEVLNHAC-MHZLTWQESA-N 2 2 583.564 4.613 1 0 KJAFLP COc1ccccc1N1CC[NH+](CCCCCCCn2ncc(Cl)c(N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027102721 561839288 /nfs/dbraw/zinc/83/92/88/561839288.db2.gz VTRIENNYHGTPOM-MUUNZHRXSA-N 2 2 651.252 4.640 1 0 KJAFLP COc1ccccc1N1CC[NH+](CCCCCCCn2ncc(Cl)c(N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027102726 561839264 /nfs/dbraw/zinc/83/92/64/561839264.db2.gz VTRIENNYHGTPOM-NDEPHWFRSA-N 2 2 651.252 4.640 1 0 KJAFLP COc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027108764 561840901 /nfs/dbraw/zinc/84/09/01/561840901.db2.gz RUJVTASFSBRIDC-MUUNZHRXSA-N 2 2 651.252 4.640 1 0 KJAFLP COc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027108767 561840879 /nfs/dbraw/zinc/84/08/79/561840879.db2.gz RUJVTASFSBRIDC-NDEPHWFRSA-N 2 2 651.252 4.640 1 0 KJAFLP C[C@H](Nc1nc(-n2c3ccc(N4CC[NH+](C)CC4)nc3nc2-c2ccc(F)cc2)cc[nH+]1)c1ccccc1 ZINC000027180668 561841709 /nfs/dbraw/zinc/84/17/09/561841709.db2.gz XUQRICHQPSQKSS-FQEVSTJZSA-N 2 2 508.605 4.942 1 0 KJAFLP C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2nc3cc4nc(NC(=O)C[NH+]5C[C@@H](C)C[C@H](C)C5)sc4cc3s2)C1 ZINC000027184064 561842313 /nfs/dbraw/zinc/84/23/13/561842313.db2.gz IITMPFUJXRCRPM-XLAORIBOSA-N 2 2 528.748 4.739 1 0 KJAFLP C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2nc3cc4nc(NC(=O)C[NH+]5C[C@@H](C)C[C@H](C)C5)sc4cc3s2)C1 ZINC000027184064 561842312 /nfs/dbraw/zinc/84/23/12/561842312.db2.gz IITMPFUJXRCRPM-XLAORIBOSA-N 2 2 528.748 4.739 1 0 KJAFLP c1cc(C[N@H+]2CCCSCCSCCC[NH2+]CC2)ccc1C[NH+]1CCCSCCSCCC[NH2+]CC1 ZINC000027310508 561850577 /nfs/dbraw/zinc/85/05/77/561850577.db2.gz JQNBFKZPAITYOF-UHFFFAOYSA-N 4 2 571.004 4.990 1 0 KJAFLP c1cc(C[N@@H+]2CCCSCCSCCC[NH2+]CC2)ccc1C[NH+]1CCCSCCSCCC[NH2+]CC1 ZINC000027310508 561850576 /nfs/dbraw/zinc/85/05/76/561850576.db2.gz JQNBFKZPAITYOF-UHFFFAOYSA-N 4 2 571.004 4.990 1 0 KJAFLP Clc1cc2nc(c1)C[NH2+]CCCN(Cc1ccc(CN3CCC[NH2+]Cc4cc(Cl)cc(n4)C[NH2+]CCC3)cc1)CCC[NH2+]C2 ZINC000027313017 561851089 /nfs/dbraw/zinc/85/10/89/561851089.db2.gz JBTDSVLQLIFMGW-UHFFFAOYSA-N 4 2 639.720 4.734 1 0 KJAFLP FC(F)(F)c1cc(COC[C@H](c2ccccc2)[NH+]2CCN(CC[NH+]3CCOCC3)CC2)cc(C(F)(F)F)c1 ZINC000027518392 561862273 /nfs/dbraw/zinc/86/22/73/561862273.db2.gz OJSVVPWTTKYYQY-RUZDIDTESA-N 2 2 545.568 4.932 1 0 KJAFLP FC(F)(F)c1cc(COC[C@@H](c2ccccc2)[NH+]2CCN(CC[NH+]3CCOCC3)CC2)cc(C(F)(F)F)c1 ZINC000027518393 561862264 /nfs/dbraw/zinc/86/22/64/561862264.db2.gz OJSVVPWTTKYYQY-VWLOTQADSA-N 2 2 545.568 4.932 1 0 KJAFLP C[NH+](C)C1CC[NH+](CCc2c(COc3ccc(Br)cc3C(N)=O)sc3ccccc32)CC1 ZINC000027527115 561866683 /nfs/dbraw/zinc/86/66/83/561866683.db2.gz KBWZELSUGXQFPZ-UHFFFAOYSA-N 2 2 516.505 4.910 1 0 KJAFLP COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3C[NH2+]CCCCCC[NH3+])[nH+]c(N)c2cc1OC ZINC000027550475 561867728 /nfs/dbraw/zinc/86/77/28/561867728.db2.gz MGVLNZLBZKMKDD-UHFFFAOYSA-N 3 2 579.790 4.607 1 0 KJAFLP COc1cc2[nH+]c(N(C)CCCCCCN(C)C(=O)c3ccc(C[N@H+]4CCSC4)cc3)nc(N)c2cc1OC ZINC000027550947 561867861 /nfs/dbraw/zinc/86/78/61/561867861.db2.gz YFEUUISKXLCYAK-UHFFFAOYSA-N 2 2 552.745 4.504 1 0 KJAFLP COc1cc2[nH+]c(N(C)CCCCCCN(C)C(=O)c3ccc(C[N@@H+]4CCSC4)cc3)nc(N)c2cc1OC ZINC000027550947 561867860 /nfs/dbraw/zinc/86/78/60/561867860.db2.gz YFEUUISKXLCYAK-UHFFFAOYSA-N 2 2 552.745 4.504 1 0 KJAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccc(Cl)cc1 ZINC000027628071 561873336 /nfs/dbraw/zinc/87/33/36/561873336.db2.gz MRARUCIBECYWKQ-UHFFFAOYSA-N 2 2 500.474 4.781 1 0 KJAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccc(Cl)cc1 ZINC000027628071 561873334 /nfs/dbraw/zinc/87/33/34/561873334.db2.gz MRARUCIBECYWKQ-UHFFFAOYSA-N 2 2 500.474 4.781 1 0 KJAFLP CN(CCCc1ccc(Cl)cc1)c1nc(N2CC[NH+](Cc3ccccn3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027629300 561873502 /nfs/dbraw/zinc/87/35/02/561873502.db2.gz BJBKKKHDONJWDS-UHFFFAOYSA-N 2 2 573.145 4.671 1 0 KJAFLP CN(CCCc1ccc(Cl)cc1)c1nc(N2CC[NH+](Cc3cccnc3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027629951 561873709 /nfs/dbraw/zinc/87/37/09/561873709.db2.gz CDAFOCZZOLXAMW-UHFFFAOYSA-N 2 2 573.145 4.671 1 0 KJAFLP CN(CCCc1ccc(Cl)cc1)c1nc(N2CC[NH+](Cc3ccncc3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027632064 561873994 /nfs/dbraw/zinc/87/39/94/561873994.db2.gz BMBRGXHCBMOLNP-UHFFFAOYSA-N 2 2 573.145 4.671 1 0 KJAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccnc2ccccc21 ZINC000027634966 561874339 /nfs/dbraw/zinc/87/43/39/561874339.db2.gz GEGPJSDDNDJWQA-UHFFFAOYSA-N 2 2 517.077 4.676 1 0 KJAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccnc2ccccc21 ZINC000027634966 561874338 /nfs/dbraw/zinc/87/43/38/561874338.db2.gz GEGPJSDDNDJWQA-UHFFFAOYSA-N 2 2 517.077 4.676 1 0 KJAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)[C@@H]1CCc2ccccc2C1 ZINC000027643485 561875576 /nfs/dbraw/zinc/87/55/76/561875576.db2.gz GKTORSSXCLMQSU-RUZDIDTESA-N 2 2 520.121 4.619 1 0 KJAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)[C@@H]1CCc2ccccc2C1 ZINC000027643485 561875573 /nfs/dbraw/zinc/87/55/73/561875573.db2.gz GKTORSSXCLMQSU-RUZDIDTESA-N 2 2 520.121 4.619 1 0 KJAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)[C@H]1CCc2ccccc2C1 ZINC000027643495 561875524 /nfs/dbraw/zinc/87/55/24/561875524.db2.gz GKTORSSXCLMQSU-VWLOTQADSA-N 2 2 520.121 4.619 1 0 KJAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)[C@H]1CCc2ccccc2C1 ZINC000027643495 561875522 /nfs/dbraw/zinc/87/55/22/561875522.db2.gz GKTORSSXCLMQSU-VWLOTQADSA-N 2 2 520.121 4.619 1 0 KJAFLP Cc1nc2cc3c4c(cccc4C(=O)N(CC[NH+](C)CCC[N@H+](C)CCN4C(=O)c5cccc6c7[nH]c(C)nc7cc(c65)C4=O)C3=O)c2[nH]1 ZINC000027656915 561877790 /nfs/dbraw/zinc/87/77/90/561877790.db2.gz AGVSNIPBBRXCTM-UHFFFAOYSA-N 2 2 656.747 4.508 1 0 KJAFLP Cc1nc2cc3c4c(cccc4C(=O)N(CC[NH+](C)CCC[N@@H+](C)CCN4C(=O)c5cccc6c7[nH]c(C)nc7cc(c65)C4=O)C3=O)c2[nH]1 ZINC000027656915 561877789 /nfs/dbraw/zinc/87/77/89/561877789.db2.gz AGVSNIPBBRXCTM-UHFFFAOYSA-N 2 2 656.747 4.508 1 0 KJAFLP COC(=O)c1cccc(CN(CC[NH2+]CCCO)Cc2cccc(C[NH+](Cc3cccc(C(=O)OC)c3)Cc3cccc(C(=O)OC)c3)n2)c1 ZINC000027747412 561883105 /nfs/dbraw/zinc/88/31/05/561883105.db2.gz FRIMZKOFXOQJQA-UHFFFAOYSA-N 2 2 682.818 4.618 1 0 KJAFLP CCOC(=O)CCC(=O)N(c1ccc2[nH+]c(C)n(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028013041 561896662 /nfs/dbraw/zinc/89/66/62/561896662.db2.gz VDNPLNQWHWITBZ-UHFFFAOYSA-N 3 2 581.721 4.968 1 0 KJAFLP CCOC(=O)CCC(=O)N(c1ccc2c(c1)[nH+]c(C)n2Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028022084 561898707 /nfs/dbraw/zinc/89/87/07/561898707.db2.gz MEWPKKDIYAHCHV-UHFFFAOYSA-N 3 2 581.721 4.968 1 0 KJAFLP CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000028125642 561905008 /nfs/dbraw/zinc/90/50/08/561905008.db2.gz VKCHGIQRDXGPSQ-VSGBNLITSA-N 2 2 571.688 4.739 1 0 KJAFLP CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000028125642 561905005 /nfs/dbraw/zinc/90/50/05/561905005.db2.gz VKCHGIQRDXGPSQ-VSGBNLITSA-N 2 2 571.688 4.739 1 0 KJAFLP CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000028125652 561904973 /nfs/dbraw/zinc/90/49/73/561904973.db2.gz VKCHGIQRDXGPSQ-IZLXSDGUSA-N 2 2 571.688 4.739 1 0 KJAFLP CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000028125652 561904970 /nfs/dbraw/zinc/90/49/70/561904970.db2.gz VKCHGIQRDXGPSQ-IZLXSDGUSA-N 2 2 571.688 4.739 1 0 KJAFLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1 ZINC000028350626 561915482 /nfs/dbraw/zinc/91/54/82/561915482.db2.gz NHZYDUWLLZYUEJ-VQWYHCMXSA-N 2 2 625.217 4.981 1 0 KJAFLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1 ZINC000028350633 561915530 /nfs/dbraw/zinc/91/55/30/561915530.db2.gz NHZYDUWLLZYUEJ-MWWWQXCZSA-N 2 2 625.217 4.981 1 0 KJAFLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1 ZINC000028350644 561915496 /nfs/dbraw/zinc/91/54/96/561915496.db2.gz NHZYDUWLLZYUEJ-IETCDDJASA-N 2 2 625.217 4.981 1 0 KJAFLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1 ZINC000028350652 561915480 /nfs/dbraw/zinc/91/54/80/561915480.db2.gz NHZYDUWLLZYUEJ-VYVPPWFUSA-N 2 2 625.217 4.981 1 0 KJAFLP C[C@@H]([NH2+]Cc1ccco1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028374258 561918964 /nfs/dbraw/zinc/91/89/64/561918964.db2.gz UQMVIJQKWVLCJN-PBHCEWPQSA-N 2 2 626.201 4.874 1 0 KJAFLP C[C@H]([NH2+]Cc1ccco1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028374266 561918937 /nfs/dbraw/zinc/91/89/37/561918937.db2.gz UQMVIJQKWVLCJN-YMHHMKOLSA-N 2 2 626.201 4.874 1 0 KJAFLP COc1cc(-c2nn(C3CC[NH+](C)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028565280 561936053 /nfs/dbraw/zinc/93/60/53/561936053.db2.gz HSOYBAXURXRYKS-UHFFFAOYSA-N 2 2 543.525 4.761 1 0 KJAFLP C[NH+]1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@H]3CC[N@@H+](C)C[C@@H]3F)C2=O)CC1 ZINC000028569914 561938503 /nfs/dbraw/zinc/93/85/03/561938503.db2.gz FMWQNIIEHDXZKU-YEOGNCHCSA-N 2 2 539.095 4.907 1 0 KJAFLP C[NH+]1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@H]3CC[N@H+](C)C[C@@H]3F)C2=O)CC1 ZINC000028569914 561938501 /nfs/dbraw/zinc/93/85/01/561938501.db2.gz FMWQNIIEHDXZKU-YEOGNCHCSA-N 2 2 539.095 4.907 1 0 KJAFLP C[NH+]1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@H]3CC[N@@H+](C)C[C@@H]3F)C2=O)CC1 ZINC000028569915 561938430 /nfs/dbraw/zinc/93/84/30/561938430.db2.gz FMWQNIIEHDXZKU-GYHUNEDQSA-N 2 2 539.095 4.907 1 0 KJAFLP C[NH+]1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@H]3CC[N@H+](C)C[C@@H]3F)C2=O)CC1 ZINC000028569915 561938429 /nfs/dbraw/zinc/93/84/29/561938429.db2.gz FMWQNIIEHDXZKU-GYHUNEDQSA-N 2 2 539.095 4.907 1 0 KJAFLP C[NH+]1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CC[N@@H+](C)C[C@@H]3F)C2=O)CC1 ZINC000028571202 561939275 /nfs/dbraw/zinc/93/92/75/561939275.db2.gz FMWQNIIEHDXZKU-GDFYOEGCSA-N 2 2 539.095 4.907 1 0 KJAFLP C[NH+]1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CC[N@H+](C)C[C@@H]3F)C2=O)CC1 ZINC000028571202 561939273 /nfs/dbraw/zinc/93/92/73/561939273.db2.gz FMWQNIIEHDXZKU-GDFYOEGCSA-N 2 2 539.095 4.907 1 0 KJAFLP C[NH+]1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CC[N@@H+](C)C[C@@H]3F)C2=O)CC1 ZINC000028571203 561939259 /nfs/dbraw/zinc/93/92/59/561939259.db2.gz FMWQNIIEHDXZKU-HZVPBQBQSA-N 2 2 539.095 4.907 1 0 KJAFLP C[NH+]1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CC[N@H+](C)C[C@@H]3F)C2=O)CC1 ZINC000028571203 561939257 /nfs/dbraw/zinc/93/92/57/561939257.db2.gz FMWQNIIEHDXZKU-HZVPBQBQSA-N 2 2 539.095 4.907 1 0 KJAFLP C[NH+]1CCC(Cn2c3ccccc3c3c2[C@H](Oc2ccc(Cl)cc2)C[C@@H](N2CC[NH+](C)CC2)C3=O)CC1 ZINC000028571740 561939546 /nfs/dbraw/zinc/93/95/46/561939546.db2.gz JQOSMURZPWPUEW-KAYWLYCHSA-N 2 2 521.105 4.959 1 0 KJAFLP C[NH+]1CCC(Cn2c3ccccc3c3c2[C@H](Oc2ccc(Cl)cc2)C[C@H](N2CC[NH+](C)CC2)C3=O)CC1 ZINC000028571741 561939549 /nfs/dbraw/zinc/93/95/49/561939549.db2.gz JQOSMURZPWPUEW-RRPNLBNLSA-N 2 2 521.105 4.959 1 0 KJAFLP C[NH+]1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@H]3CC[NH2+]C[C@@H]3F)C2=O)CC1 ZINC000028572385 561939987 /nfs/dbraw/zinc/93/99/87/561939987.db2.gz NLNIZEJOWHVZBP-LMRXRJEBSA-N 2 2 525.068 4.565 1 0 KJAFLP C[NH+]1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@H]3CC[NH2+]C[C@@H]3F)C2=O)CC1 ZINC000028572386 561940049 /nfs/dbraw/zinc/94/00/49/561940049.db2.gz NLNIZEJOWHVZBP-QTYVQNMISA-N 2 2 525.068 4.565 1 0 KJAFLP C[NH+]1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CC[NH2+]CC3)C2=O)CC1 ZINC000028572574 561940297 /nfs/dbraw/zinc/94/02/97/561940297.db2.gz JJJYHZWMXCJWRV-CLJLJLNGSA-N 2 2 507.078 4.617 1 0 KJAFLP O=C(CCCOc1ccccc1)NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714023 561954421 /nfs/dbraw/zinc/95/44/21/561954421.db2.gz GQLDCOPRIBXSPN-UHFFFAOYSA-N 2 2 524.109 4.673 1 0 KJAFLP O=C(CCCOc1ccccc1)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714023 561954420 /nfs/dbraw/zinc/95/44/20/561954420.db2.gz GQLDCOPRIBXSPN-UHFFFAOYSA-N 2 2 524.109 4.673 1 0 KJAFLP CCOc1ccc(C(=O)NCCC[NH+]2CCN(CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000028714024 561954448 /nfs/dbraw/zinc/95/44/48/561954448.db2.gz UOOCUKDYAQEDFS-UHFFFAOYSA-N 2 2 510.082 4.527 1 0 KJAFLP CCOc1ccc(C(=O)NCCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000028714024 561954447 /nfs/dbraw/zinc/95/44/47/561954447.db2.gz UOOCUKDYAQEDFS-UHFFFAOYSA-N 2 2 510.082 4.527 1 0 KJAFLP O=C(CCCc1ccccc1)NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714025 561954476 /nfs/dbraw/zinc/95/44/76/561954476.db2.gz RRNQHEIQPBLOQF-UHFFFAOYSA-N 2 2 508.110 4.837 1 0 KJAFLP O=C(CCCc1ccccc1)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714025 561954474 /nfs/dbraw/zinc/95/44/74/561954474.db2.gz RRNQHEIQPBLOQF-UHFFFAOYSA-N 2 2 508.110 4.837 1 0 KJAFLP Cc1cc(N2CCN(C(=O)c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)CC2)nc(N)[nH+]1 ZINC000028766659 561959827 /nfs/dbraw/zinc/95/98/27/561959827.db2.gz QGEFCECVPKGARW-UHFFFAOYSA-N 2 2 507.520 4.640 1 0 KJAFLP [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH+]c[nH]2)C[C@@H]1OCc1ccccc1 ZINC000028769964 561961008 /nfs/dbraw/zinc/96/10/08/561961008.db2.gz WOIHTIAABRGFIJ-SYEZAVJTSA-N 2 2 562.711 4.882 1 0 KJAFLP [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]c[nH+]2)C[C@@H]1OCc1ccccc1 ZINC000028769964 561961007 /nfs/dbraw/zinc/96/10/07/561961007.db2.gz WOIHTIAABRGFIJ-SYEZAVJTSA-N 2 2 562.711 4.882 1 0 KJAFLP O=C(C[N@@H+](CCOc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)OCO2)NCc1ccc(C(F)(F)F)cc1 ZINC000028818846 561965311 /nfs/dbraw/zinc/96/53/11/561965311.db2.gz SFGIHMAJHAGGRH-UHFFFAOYSA-N 2 2 552.553 4.817 1 0 KJAFLP O=C(C[N@H+](CCOc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)OCO2)NCc1ccc(C(F)(F)F)cc1 ZINC000028818846 561965309 /nfs/dbraw/zinc/96/53/09/561965309.db2.gz SFGIHMAJHAGGRH-UHFFFAOYSA-N 2 2 552.553 4.817 1 0 KJAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)[C@H](c1cccc(Cl)c1)n1cc[nH+]c1 ZINC000028822346 561966892 /nfs/dbraw/zinc/96/68/92/561966892.db2.gz YJZFUGDWYGMZLN-LJAQVGFWSA-N 3 2 580.564 4.954 1 0 KJAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)[C@@H](c1cccc(Cl)c1)n1cc[nH+]c1 ZINC000028822347 561966911 /nfs/dbraw/zinc/96/69/11/561966911.db2.gz YJZFUGDWYGMZLN-GDLZYMKVSA-N 3 2 580.564 4.954 1 0 KJAFLP CC(=O)NCCNc1[nH+]c2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc2n1CCC[NH+]1CCCCC1 ZINC000028823428 561968100 /nfs/dbraw/zinc/96/81/00/561968100.db2.gz UPZSWBDXOTTYST-UHFFFAOYSA-N 2 2 526.770 4.995 1 0 KJAFLP Cc1[nH+]cccc1-n1c(CCc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000028823812 561968450 /nfs/dbraw/zinc/96/84/50/561968450.db2.gz GORZTKVOBMTKPC-RBJSKKJNSA-N 2 2 533.680 4.637 1 0 KJAFLP Cc1[nH+]cccc1-n1c(CCc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC[NH2+]CC1 ZINC000028823813 561968443 /nfs/dbraw/zinc/96/84/43/561968443.db2.gz NVNCQQIGYBHTMU-MUUNZHRXSA-N 2 2 533.680 4.637 1 0 KJAFLP CC(C)C[C@H]([NH2+]CC[NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823897 561968606 /nfs/dbraw/zinc/96/86/06/561968606.db2.gz CGANDSYNDFLFKG-RRPNLBNLSA-N 2 2 592.587 4.650 1 0 KJAFLP CC(C)C[C@H]([NH2+]CC[NH3+])c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823898 561968597 /nfs/dbraw/zinc/96/85/97/561968597.db2.gz PZLVUHVHOCIJNX-XTEPFMGCSA-N 2 2 592.587 4.650 1 0 KJAFLP CC(C)C[C@@H](c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1)[N@@H+](C)CC[NH3+] ZINC000028823900 561968564 /nfs/dbraw/zinc/96/85/64/561968564.db2.gz FLYJFSWZKPJYBP-WUFINQPMSA-N 2 2 606.614 4.993 1 0 KJAFLP CC(C)C[C@@H](c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1)[N@H+](C)CC[NH3+] ZINC000028823900 561968563 /nfs/dbraw/zinc/96/85/63/561968563.db2.gz FLYJFSWZKPJYBP-WUFINQPMSA-N 2 2 606.614 4.993 1 0 KJAFLP C[NH2+]CC[NH2+][C@@H](CC(C)C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823901 561968614 /nfs/dbraw/zinc/96/86/14/561968614.db2.gz DUUPSEFOQYYDEP-LMSSTIIKSA-N 2 2 588.624 4.772 1 0 KJAFLP C[NH2+]CC[NH2+][C@@H](CC(C)C)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823902 561968586 /nfs/dbraw/zinc/96/85/86/561968586.db2.gz XXHJASVEYUQRFO-LMSSTIIKSA-N 2 2 606.614 4.911 1 0 KJAFLP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](CC[NH3+])C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824070 561968863 /nfs/dbraw/zinc/96/88/63/561968863.db2.gz PXMOUMJOVHXQIZ-NXCFDTQHSA-N 3 2 566.112 4.728 1 0 KJAFLP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](CC[NH3+])C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824070 561968861 /nfs/dbraw/zinc/96/88/61/561968861.db2.gz PXMOUMJOVHXQIZ-NXCFDTQHSA-N 3 2 566.112 4.728 1 0 KJAFLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2nc(Cc3ccccc3)c(N3CCOCC3)o2)CC1 ZINC000028824122 561969066 /nfs/dbraw/zinc/96/90/66/561969066.db2.gz GHUGNZJWGFESDO-UHFFFAOYSA-N 2 2 504.034 4.626 1 0 KJAFLP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CC[NH2+]CC2=O)CC1 ZINC000028825762 561970929 /nfs/dbraw/zinc/97/09/29/561970929.db2.gz KZZQDCIGVAXNMN-AZGAKELHSA-N 2 2 614.540 4.750 1 0 KJAFLP C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC000028864138 561972489 /nfs/dbraw/zinc/97/24/89/561972489.db2.gz AKKQMPVUZWTXBG-UHFFFAOYSA-N 2 2 614.524 4.771 1 0 KJAFLP C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC000028864138 561972487 /nfs/dbraw/zinc/97/24/87/561972487.db2.gz AKKQMPVUZWTXBG-UHFFFAOYSA-N 2 2 614.524 4.771 1 0 KJAFLP C[N@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC000028864138 561972486 /nfs/dbraw/zinc/97/24/86/561972486.db2.gz AKKQMPVUZWTXBG-UHFFFAOYSA-N 2 2 614.524 4.771 1 0 KJAFLP C[N@@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC000028864138 561972484 /nfs/dbraw/zinc/97/24/84/561972484.db2.gz AKKQMPVUZWTXBG-UHFFFAOYSA-N 2 2 614.524 4.771 1 0 KJAFLP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[NH+]1Cc1ccccn1)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864264 561973155 /nfs/dbraw/zinc/97/31/55/561973155.db2.gz ZYFQUKXLKFLJCB-RUZDIDTESA-N 2 2 592.090 4.608 1 0 KJAFLP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[NH+]1Cc1ccccn1)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864264 561973154 /nfs/dbraw/zinc/97/31/54/561973154.db2.gz ZYFQUKXLKFLJCB-RUZDIDTESA-N 2 2 592.090 4.608 1 0 KJAFLP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864264 561973153 /nfs/dbraw/zinc/97/31/53/561973153.db2.gz ZYFQUKXLKFLJCB-RUZDIDTESA-N 2 2 592.090 4.608 1 0 KJAFLP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864264 561973152 /nfs/dbraw/zinc/97/31/52/561973152.db2.gz ZYFQUKXLKFLJCB-RUZDIDTESA-N 2 2 592.090 4.608 1 0 KJAFLP C[NH2+]CC[NH2+][C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C ZINC000028867146 561973556 /nfs/dbraw/zinc/97/35/56/561973556.db2.gz LPIMZWKKMREGHM-ZBLYBZFDSA-N 2 2 503.106 4.821 1 0 KJAFLP O=C(NC1CC[NH+](Cc2ccc(OCCC[NH+]3CCCCC3)c(F)c2)CC1)c1cc(=O)c2ccc(F)cc2o1 ZINC000028884106 561977446 /nfs/dbraw/zinc/97/74/46/561977446.db2.gz CUGSGWYMBUMSOM-UHFFFAOYSA-N 2 2 539.623 4.720 1 0 KJAFLP O=C(NC1CC[NH+](Cc2ccc(OCCC[NH+](C3CC3)C3CC3)c(F)c2)CC1)c1cc(=O)c2ccc(F)cc2o1 ZINC000028884137 561977426 /nfs/dbraw/zinc/97/74/26/561977426.db2.gz AMVUYMPRVIDZMG-UHFFFAOYSA-N 2 2 551.634 4.861 1 0 KJAFLP O=C(c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CC[NH+](CCO)CC1 ZINC000028889695 561978126 /nfs/dbraw/zinc/97/81/26/561978126.db2.gz YOHSETSRMZWQJH-IDISGSTGSA-N 2 2 565.089 4.938 1 0 KJAFLP O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1cc[nH+]c(NCCCn2cc[nH+]c2)c1 ZINC000028951811 561981796 /nfs/dbraw/zinc/98/17/96/561981796.db2.gz NRCYJQOXMJLQTP-UHFFFAOYSA-N 2 2 506.513 4.966 1 0 KJAFLP CC(C)[N@H+]1C[C@H](C(=O)N2CC[NH+](C3(CNS(=O)(=O)Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953554 561982304 /nfs/dbraw/zinc/98/23/04/561982304.db2.gz IEPFNWPPQXNZIK-IHLOFXLRSA-N 2 2 601.257 4.731 1 0 KJAFLP CC(C)[N@@H+]1C[C@H](C(=O)N2CC[NH+](C3(CNS(=O)(=O)Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953554 561982303 /nfs/dbraw/zinc/98/23/03/561982303.db2.gz IEPFNWPPQXNZIK-IHLOFXLRSA-N 2 2 601.257 4.731 1 0 KJAFLP CC(C)[N@H+]1C[C@H](C(=O)N2CC[NH+](C3(CNS(=O)(=O)c4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953557 561982529 /nfs/dbraw/zinc/98/25/29/561982529.db2.gz QZCFRIBBLHYRBQ-WDYNHAJCSA-N 2 2 587.230 4.589 1 0 KJAFLP CC(C)[N@@H+]1C[C@H](C(=O)N2CC[NH+](C3(CNS(=O)(=O)c4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953557 561982528 /nfs/dbraw/zinc/98/25/28/561982528.db2.gz QZCFRIBBLHYRBQ-WDYNHAJCSA-N 2 2 587.230 4.589 1 0 KJAFLP CC(=O)N1CC[NH+](C[C@@H](O)CN2CC[NH+](CCc3c4cc(C(C)(C)C(=O)N5C6CCC5CC6)sc4[nH]c3-c3cc(C)cc(C)c3)CC2)CC1 ZINC000028961527 561984331 /nfs/dbraw/zinc/98/43/31/561984331.db2.gz WDDRUCUWAOFJED-PDZHLSQESA-N 2 2 688.983 4.629 1 0 KJAFLP CC(=O)N1CC[NH+](C[C@H](O)CN2CC[NH+](CCc3c4cc(C(C)(C)C(=O)N5C6CCC5CC6)sc4[nH]c3-c3cc(C)cc(C)c3)CC2)CC1 ZINC000028961531 561984337 /nfs/dbraw/zinc/98/43/37/561984337.db2.gz WDDRUCUWAOFJED-DQZOQLMQSA-N 2 2 688.983 4.629 1 0 KJAFLP CC(=O)c1sc(NC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975345 561986401 /nfs/dbraw/zinc/98/64/01/561986401.db2.gz IATQFPFNGNYBPW-BXTSTYNKSA-N 3 2 584.806 4.654 1 0 KJAFLP CC(=O)c1sc(NC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975345 561986399 /nfs/dbraw/zinc/98/63/99/561986399.db2.gz IATQFPFNGNYBPW-BXTSTYNKSA-N 3 2 584.806 4.654 1 0 KJAFLP CC(=O)c1sc(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975345 561986397 /nfs/dbraw/zinc/98/63/97/561986397.db2.gz IATQFPFNGNYBPW-BXTSTYNKSA-N 3 2 584.806 4.654 1 0 KJAFLP CC(=O)c1sc(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975345 561986395 /nfs/dbraw/zinc/98/63/95/561986395.db2.gz IATQFPFNGNYBPW-BXTSTYNKSA-N 3 2 584.806 4.654 1 0 KJAFLP CC(=O)c1sc(NC(=O)N[C@@H]2C[NH+](C3CC[NH+](C)CC3)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975453 561986669 /nfs/dbraw/zinc/98/66/69/561986669.db2.gz DUQPPLUAQADJCL-PNIUZAESSA-N 3 2 584.806 4.654 1 0 KJAFLP CC(=O)c1sc(NC(=O)N[C@@H]2C[NH+](C3CC[NH+](C)CC3)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975453 561986667 /nfs/dbraw/zinc/98/66/67/561986667.db2.gz DUQPPLUAQADJCL-PNIUZAESSA-N 3 2 584.806 4.654 1 0 KJAFLP CC(=O)c1sc(NC(=O)N[C@@H]2C[N@@H+](C3CC[NH+](C)CC3)CC[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975453 561986665 /nfs/dbraw/zinc/98/66/65/561986665.db2.gz DUQPPLUAQADJCL-PNIUZAESSA-N 3 2 584.806 4.654 1 0 KJAFLP CC(=O)c1sc(NC(=O)N[C@@H]2C[N@H+](C3CC[NH+](C)CC3)CC[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975453 561986664 /nfs/dbraw/zinc/98/66/64/561986664.db2.gz DUQPPLUAQADJCL-PNIUZAESSA-N 3 2 584.806 4.654 1 0 KJAFLP Nc1ccccc1NC(=O)c1cc2ccc([C@@H]([NH2+]CCc3[nH]cc[nH+]3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976333 561986854 /nfs/dbraw/zinc/98/68/54/561986854.db2.gz NHDHANRXWYTZHX-HHHXNRCGSA-N 2 2 524.650 4.649 1 0 KJAFLP Nc1ccccc1NC(=O)c1cc2ccc([C@H]([NH2+]CCc3[nH]cc[nH+]3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976339 561986921 /nfs/dbraw/zinc/98/69/21/561986921.db2.gz NHDHANRXWYTZHX-MHZLTWQESA-N 2 2 524.650 4.649 1 0 KJAFLP Nc1[nH+]cnc2c1cnn2C1CC[NH+](Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1 ZINC000029037305 561988477 /nfs/dbraw/zinc/98/84/77/561988477.db2.gz CCUQHOVPLNKBBL-UHFFFAOYSA-N 2 2 528.624 4.500 1 0 KJAFLP CCCC[N@H+]1C[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038669 561989107 /nfs/dbraw/zinc/98/91/07/561989107.db2.gz HKHRBWOCFLSICR-ZILOHOTNSA-N 2 2 536.518 4.805 1 0 KJAFLP CCCC[N@@H+]1C[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038669 561989106 /nfs/dbraw/zinc/98/91/06/561989106.db2.gz HKHRBWOCFLSICR-ZILOHOTNSA-N 2 2 536.518 4.805 1 0 KJAFLP CC[NH+](CC)CCCNc1nc(NCc2ccc3c(c2)OCO3)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038888 561989503 /nfs/dbraw/zinc/98/95/03/561989503.db2.gz PCTMBPBTZVLLSN-UHFFFAOYSA-N 2 2 507.683 4.737 1 0 KJAFLP CC[NH+](CC)CCCNc1nc(NCc2ccc3c(c2)OCO3)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038888 561989502 /nfs/dbraw/zinc/98/95/02/561989502.db2.gz PCTMBPBTZVLLSN-UHFFFAOYSA-N 2 2 507.683 4.737 1 0 KJAFLP CC[NH+](CC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NCc2ccc3c(c2)OCO3)[nH+]1 ZINC000029038888 561989501 /nfs/dbraw/zinc/98/95/01/561989501.db2.gz PCTMBPBTZVLLSN-UHFFFAOYSA-N 2 2 507.683 4.737 1 0 KJAFLP COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cn4cc[nH+]c4)c3=O)CC2)C(C)C)c1 ZINC000029063736 561996287 /nfs/dbraw/zinc/99/62/87/561996287.db2.gz KSSZZTROORAABZ-NDEPHWFRSA-N 2 2 517.674 4.953 1 0 KJAFLP COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cn4cc[nH+]c4)c3=O)CC2)C(C)C)c1 ZINC000029063743 561996298 /nfs/dbraw/zinc/99/62/98/561996298.db2.gz KSSZZTROORAABZ-MUUNZHRXSA-N 2 2 517.674 4.953 1 0 KJAFLP Nc1[nH+]cnc2c1cnn2C1CC[NH+](Cc2ccc(-c3ncc(-c4nnc[nH]4)cc3-c3ccccc3)cc2)CC1 ZINC000029125526 561997705 /nfs/dbraw/zinc/99/77/05/561997705.db2.gz WPQHLIPHCCADRU-UHFFFAOYSA-N 2 2 528.624 4.760 1 0 KJAFLP Nc1[nH+]cnc2c1cnn2C1CC[NH+](Cc2ccc(-c3ncc(-c4nc[nH]n4)cc3-c3ccccc3)cc2)CC1 ZINC000029125526 561997703 /nfs/dbraw/zinc/99/77/03/561997703.db2.gz WPQHLIPHCCADRU-UHFFFAOYSA-N 2 2 528.624 4.760 1 0 KJAFLP Cc1cc(C)cc(N(CCO)Cc2ccc3[nH+]c(NC4CC[NH+](C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029133952 562003799 /nfs/dbraw/zinc/00/37/99/562003799.db2.gz DFRQRIIOETWHFT-UHFFFAOYSA-N 2 2 528.701 4.615 1 0 KJAFLP Cc1cccc(NCc2ccc3[nH+]c(NCCC[NH+]4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134034 562003742 /nfs/dbraw/zinc/00/37/42/562003742.db2.gz JWXKMENOINHWIM-UHFFFAOYSA-N 2 2 500.647 4.548 1 0 KJAFLP Cc1cc(C)cc(NCc2ccc3[nH+]c(NCCC[NH+]4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134128 562003939 /nfs/dbraw/zinc/00/39/39/562003939.db2.gz YESSNUFZLDEBOG-UHFFFAOYSA-N 2 2 514.674 4.857 1 0 KJAFLP Cc1cc(C)cc(NCc2ccc3[nH+]c(NC4CC[NH+](CCO)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134258 562003968 /nfs/dbraw/zinc/00/39/68/562003968.db2.gz CMHZXSUJKLSWAB-UHFFFAOYSA-N 2 2 514.674 4.591 1 0 KJAFLP Cc1cc(C)cc(N(CCCC(N)=O)Cc2ccc3[nH+]c(NCCC[NH+]4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134651 562004198 /nfs/dbraw/zinc/00/41/98/562004198.db2.gz SPBIPXFNYLFXQN-UHFFFAOYSA-N 2 2 599.780 4.517 1 0 KJAFLP CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000029211297 562005823 /nfs/dbraw/zinc/00/58/23/562005823.db2.gz UAGSFDGENAZSIS-SANMLTNESA-N 2 2 538.092 4.580 1 0 KJAFLP CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000029211302 562005781 /nfs/dbraw/zinc/00/57/81/562005781.db2.gz UAGSFDGENAZSIS-AREMUKBSSA-N 2 2 538.092 4.580 1 0 KJAFLP [NH3+]CCC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029398917 562019225 /nfs/dbraw/zinc/01/92/25/562019225.db2.gz RCTWLVXHMKSTOS-UHFFFAOYSA-N 3 2 523.468 4.594 1 0 KJAFLP C[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029400120 562019499 /nfs/dbraw/zinc/01/94/99/562019499.db2.gz KJYCMMKAZIJTFD-GOSISDBHSA-N 3 2 523.468 4.592 1 0 KJAFLP C[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029400123 562019600 /nfs/dbraw/zinc/01/96/00/562019600.db2.gz KJYCMMKAZIJTFD-SFHVURJKSA-N 3 2 523.468 4.592 1 0 KJAFLP NC(=O)CCC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029403057 562020111 /nfs/dbraw/zinc/02/01/11/562020111.db2.gz OJIQCFXRJHEEKE-UHFFFAOYSA-N 2 2 551.478 4.511 1 0 KJAFLP CC1(C)[NH+]=C(N)NC(=[NH2+])N1c1ccc(OCCCCCCCCCCOc2ccc(N3C(=[NH2+])NC(N)=[NH+]C3(C)C)cc2)cc1 ZINC000029410998 562021688 /nfs/dbraw/zinc/02/16/88/562021688.db2.gz ABUAAOQPYKVGAD-UHFFFAOYSA-N 4 2 604.804 4.636 1 0 KJAFLP COc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCCC[NH+]3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000029464998 562024078 /nfs/dbraw/zinc/02/40/78/562024078.db2.gz YLPUPQIOFJNHAW-UHFFFAOYSA-N 2 2 653.268 4.888 1 0 KJAFLP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000029481503 562027324 /nfs/dbraw/zinc/02/73/24/562027324.db2.gz PUFFERRQUTYALU-LQJZCPKCSA-N 2 2 570.778 4.614 1 0 KJAFLP COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029560345 562032897 /nfs/dbraw/zinc/03/28/97/562032897.db2.gz JNQYAFXUEILMBU-DEOSSOPVSA-N 2 2 534.632 4.557 1 0 KJAFLP COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029560348 562032943 /nfs/dbraw/zinc/03/29/43/562032943.db2.gz JNQYAFXUEILMBU-XMMPIXPASA-N 2 2 534.632 4.557 1 0 KJAFLP COc1ccc(S(=O)(=O)CCC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029565325 562034175 /nfs/dbraw/zinc/03/41/75/562034175.db2.gz CCSWNGVBNNCZEV-UHFFFAOYSA-N 2 2 536.673 4.973 1 0 KJAFLP CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029566047 562034492 /nfs/dbraw/zinc/03/44/92/562034492.db2.gz WSIORDLGIWQZTD-SANMLTNESA-N 2 2 516.617 4.743 1 0 KJAFLP CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029566051 562034459 /nfs/dbraw/zinc/03/44/59/562034459.db2.gz WSIORDLGIWQZTD-AREMUKBSSA-N 2 2 516.617 4.743 1 0 KJAFLP CS(=O)(=O)c1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029566144 562034488 /nfs/dbraw/zinc/03/44/88/562034488.db2.gz YQXPAWMOQDYRJB-UHFFFAOYSA-N 2 2 506.647 4.746 1 0 KJAFLP COc1ccc(OC[C@@H](O)C[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029568739 562035074 /nfs/dbraw/zinc/03/50/74/562035074.db2.gz BTSOOGIEGYSXLP-DEOSSOPVSA-N 2 2 504.606 4.549 1 0 KJAFLP COc1ccc(OC[C@H](O)C[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029568743 562035117 /nfs/dbraw/zinc/03/51/17/562035117.db2.gz BTSOOGIEGYSXLP-XMMPIXPASA-N 2 2 504.606 4.549 1 0 KJAFLP COc1ccccc1OC[C@@H](O)C[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029568747 562035017 /nfs/dbraw/zinc/03/50/17/562035017.db2.gz CRHHBIXRAIQHDM-DEOSSOPVSA-N 2 2 504.606 4.549 1 0 KJAFLP COc1ccccc1OC[C@H](O)C[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029568751 562035024 /nfs/dbraw/zinc/03/50/24/562035024.db2.gz CRHHBIXRAIQHDM-XMMPIXPASA-N 2 2 504.606 4.549 1 0 KJAFLP COc1ccc(C(=O)OCC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029568857 562035003 /nfs/dbraw/zinc/03/50/03/562035003.db2.gz JUMZPZOSZBGRGN-UHFFFAOYSA-N 2 2 502.590 4.966 1 0 KJAFLP CCNC(=O)COc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029569329 562035350 /nfs/dbraw/zinc/03/53/50/562035350.db2.gz RASVFXLQSBVBPR-UHFFFAOYSA-N 2 2 529.660 4.858 1 0 KJAFLP COC(=O)COc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029569505 562035292 /nfs/dbraw/zinc/03/52/92/562035292.db2.gz LQUDOVHYYWVTRP-UHFFFAOYSA-N 2 2 516.617 4.895 1 0 KJAFLP c1cc(-c2cc(-c3ccc(SCC[NH+]4CCOCC4)cc3)ncn2)ccc1SCC[NH+]1CCOCC1 ZINC000034602959 562039159 /nfs/dbraw/zinc/03/91/59/562039159.db2.gz YBIFEVOANUVYTO-UHFFFAOYSA-N 2 2 522.740 4.659 1 0 KJAFLP O=C1CC[C@@]2([NH2+]C/C=C/Cc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000035050547 562044467 /nfs/dbraw/zinc/04/44/67/562044467.db2.gz RTIXOOXRVMHTBL-CHXIJPCNSA-N 2 2 505.058 4.575 1 0 KJAFLP O=C1CC[C@@]2([NH2+]C/C=C/Cc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000035050547 562044465 /nfs/dbraw/zinc/04/44/65/562044465.db2.gz RTIXOOXRVMHTBL-CHXIJPCNSA-N 2 2 505.058 4.575 1 0 KJAFLP O=C1CC[C@@]2([NH2+]CC/C=C/c3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000035050548 562044393 /nfs/dbraw/zinc/04/43/93/562044393.db2.gz LHHZTZQOZGGGTA-WZYLLMEMSA-N 2 2 505.058 4.880 1 0 KJAFLP O=C1CC[C@@]2([NH2+]CC/C=C/c3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000035050548 562044392 /nfs/dbraw/zinc/04/43/92/562044392.db2.gz LHHZTZQOZGGGTA-WZYLLMEMSA-N 2 2 505.058 4.880 1 0 KJAFLP O=C1CC[C@@]2([NH2+]CCCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000035050556 562044530 /nfs/dbraw/zinc/04/45/30/562044530.db2.gz FHAIOTGQHWJDDS-ZBBWKFRYSA-N 2 2 507.074 4.799 1 0 KJAFLP O=C1CC[C@@]2([NH2+]CCCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000035050556 562044529 /nfs/dbraw/zinc/04/45/29/562044529.db2.gz FHAIOTGQHWJDDS-ZBBWKFRYSA-N 2 2 507.074 4.799 1 0 KJAFLP COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH2+]CCCc5ccc(Cl)cc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000035050558 562044578 /nfs/dbraw/zinc/04/45/78/562044578.db2.gz HEUWZOULKACFBC-ZBBWKFRYSA-N 2 2 507.074 4.712 1 0 KJAFLP COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH2+]CCCc5ccc(Cl)cc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000035050558 562044576 /nfs/dbraw/zinc/04/45/76/562044576.db2.gz HEUWZOULKACFBC-ZBBWKFRYSA-N 2 2 507.074 4.712 1 0 KJAFLP COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH2+]C/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000035050559 562044597 /nfs/dbraw/zinc/04/45/97/562044597.db2.gz WNTWXBMTVNDDJZ-HFLONSNSSA-N 2 2 519.085 4.878 1 0 KJAFLP COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH2+]C/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000035050559 562044595 /nfs/dbraw/zinc/04/45/95/562044595.db2.gz WNTWXBMTVNDDJZ-HFLONSNSSA-N 2 2 519.085 4.878 1 0 KJAFLP C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3-n3cc[nH+]c3)c3ccccc32)CC1 ZINC000036089448 562046937 /nfs/dbraw/zinc/04/69/37/562046937.db2.gz SRQDVOBYDYOTOQ-UHFFFAOYSA-N 2 2 512.017 4.648 1 0 KJAFLP O=C1C[N@@H+](CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(C[NH+]3CCC(C(F)(F)F)CC3)ccc2C1 ZINC000036126730 562047594 /nfs/dbraw/zinc/04/75/94/562047594.db2.gz FKGZUCNTGAPMBO-MHZLTWQESA-N 2 2 517.611 4.844 1 0 KJAFLP O=C1C[N@H+](CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(C[NH+]3CCC(C(F)(F)F)CC3)ccc2C1 ZINC000036126730 562047593 /nfs/dbraw/zinc/04/75/93/562047593.db2.gz FKGZUCNTGAPMBO-MHZLTWQESA-N 2 2 517.611 4.844 1 0 KJAFLP COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH2+]C/C=C/c5ccc(Cl)cc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000036221949 562051631 /nfs/dbraw/zinc/05/16/31/562051631.db2.gz GVBJTHQLULFNPT-QOHCPDRESA-N 2 2 505.058 4.793 1 0 KJAFLP COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH2+]C/C=C/c5ccc(Cl)cc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000036221949 562051629 /nfs/dbraw/zinc/05/16/29/562051629.db2.gz GVBJTHQLULFNPT-QOHCPDRESA-N 2 2 505.058 4.793 1 0 KJAFLP CC[NH+]1CCC(CC(C)C)([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000036285254 562053882 /nfs/dbraw/zinc/05/38/82/562053882.db2.gz ZBUVKSGDTHZTBY-FIRIVFDPSA-N 3 2 594.244 4.647 1 0 KJAFLP CC[NH+]1CCC(CC(C)C)([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000036285258 562053872 /nfs/dbraw/zinc/05/38/72/562053872.db2.gz ZBUVKSGDTHZTBY-IOWSJCHKSA-N 3 2 594.244 4.647 1 0 KJAFLP CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000036351480 562058315 /nfs/dbraw/zinc/05/83/15/562058315.db2.gz VKCHGIQRDXGPSQ-NSOVKSMOSA-N 2 2 571.688 4.739 1 0 KJAFLP CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000036351480 562058314 /nfs/dbraw/zinc/05/83/14/562058314.db2.gz VKCHGIQRDXGPSQ-NSOVKSMOSA-N 2 2 571.688 4.739 1 0 KJAFLP CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000036351481 562058305 /nfs/dbraw/zinc/05/83/05/562058305.db2.gz VKCHGIQRDXGPSQ-WUFINQPMSA-N 2 2 571.688 4.739 1 0 KJAFLP CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000036351481 562058304 /nfs/dbraw/zinc/05/83/04/562058304.db2.gz VKCHGIQRDXGPSQ-WUFINQPMSA-N 2 2 571.688 4.739 1 0 KJAFLP C[NH+]1CCN(CCCN(c2[nH]c3cc(F)c(F)cc3[nH+]2)[C@@H]2CC[C@]3(c4cccc(C=O)c4)C[C@@H]3C2)CC1 ZINC000036351724 562059158 /nfs/dbraw/zinc/05/91/58/562059158.db2.gz DPYOWKRMMBILEG-QFWOEDSFSA-N 2 2 507.629 4.608 1 0 KJAFLP C[NH+](C)Cc1cccc([C@@]23C[C@@H]2C[C@H](N(CCCN2CC[NH+](C)CC2)c2[nH]c4cc(F)c(F)cc4[nH+]2)CC3)c1 ZINC000036351809 562059428 /nfs/dbraw/zinc/05/94/28/562059428.db2.gz UHWJCLZESHKMAC-NVDQFQLTSA-N 3 2 536.715 4.857 1 0 KJAFLP C[NH+]1CCN(CCCN(c2[nH]c3cc(F)c(F)cc3[nH+]2)[C@@H]2CC[C@]3(c4cccc(C[N@H+]5CCC[C@H]5CO)c4)C[C@@H]3C2)CC1 ZINC000038149792 562066195 /nfs/dbraw/zinc/06/61/95/562066195.db2.gz CQLUIXRFWRPBOB-CWFKBQJKSA-N 3 2 592.779 4.752 1 0 KJAFLP C[NH+]1CCN(CCCN(c2[nH]c3cc(F)c(F)cc3[nH+]2)[C@@H]2CC[C@]3(c4cccc(C[N@@H+]5CCC[C@H]5CO)c4)C[C@@H]3C2)CC1 ZINC000038149792 562066193 /nfs/dbraw/zinc/06/61/93/562066193.db2.gz CQLUIXRFWRPBOB-CWFKBQJKSA-N 3 2 592.779 4.752 1 0 KJAFLP O=C1CSc2ccc(C[NH2+]C3CC[NH+](CCc4c(Cl)cnc5ccc(Cl)cc54)CC3)nc2N1 ZINC000038579458 562072159 /nfs/dbraw/zinc/07/21/59/562072159.db2.gz PPXYXQNTXLTOTB-UHFFFAOYSA-N 2 2 502.471 4.778 1 0 KJAFLP O=C(C[NH+]1CCC(O)CC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040404902 562074792 /nfs/dbraw/zinc/07/47/92/562074792.db2.gz LOAWJKXPGJYKQN-ZIQMFUFLSA-N 2 2 502.699 4.961 1 0 KJAFLP O=C(C[NH+]1CCC(O)CC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040404905 562074874 /nfs/dbraw/zinc/07/48/74/562074874.db2.gz LOAWJKXPGJYKQN-GJTYJFQVSA-N 2 2 502.699 4.961 1 0 KJAFLP CN(CC[NH+](C)C)C(=O)c1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000040405200 562074984 /nfs/dbraw/zinc/07/49/84/562074984.db2.gz XFHOAEIPIHFKFF-UHFFFAOYSA-N 3 2 523.081 4.690 1 0 KJAFLP C[NH+](C)CCCNC(=O)c1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000040405595 562074970 /nfs/dbraw/zinc/07/49/70/562074970.db2.gz LTNOFXLGDDNJGH-UHFFFAOYSA-N 3 2 523.081 4.738 1 0 KJAFLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CC[NH2+]C3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000040413305 562075438 /nfs/dbraw/zinc/07/54/38/562075438.db2.gz QDPMXBCJIXLUQB-DLBZAZTESA-N 2 2 513.263 4.501 1 0 KJAFLP O=C(N[C@H]1CC[N@H+](Cc2ccc(O[C@@H]3CC[NH2+]C3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000040413305 562075437 /nfs/dbraw/zinc/07/54/37/562075437.db2.gz QDPMXBCJIXLUQB-DLBZAZTESA-N 2 2 513.263 4.501 1 0 KJAFLP C[NH+]1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CC[NH2+]CC3)C2=O)CC1 ZINC000040822594 562080085 /nfs/dbraw/zinc/08/00/85/562080085.db2.gz JJJYHZWMXCJWRV-IZZNHLLZSA-N 2 2 507.078 4.617 1 0 KJAFLP CC[N@@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1ccc(Oc2ccccc2)nc1 ZINC000040863103 562080914 /nfs/dbraw/zinc/08/09/14/562080914.db2.gz BOTRSCKTZKZHFS-UHFFFAOYSA-N 2 2 526.062 4.788 1 0 KJAFLP CC[N@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1ccc(Oc2ccccc2)nc1 ZINC000040863103 562080912 /nfs/dbraw/zinc/08/09/12/562080912.db2.gz BOTRSCKTZKZHFS-UHFFFAOYSA-N 2 2 526.062 4.788 1 0 KJAFLP CC[N@@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000040874872 562081980 /nfs/dbraw/zinc/08/19/80/562081980.db2.gz RYNOHBTVPACALD-UHFFFAOYSA-N 2 2 526.106 4.820 1 0 KJAFLP CC[N@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000040874872 562081978 /nfs/dbraw/zinc/08/19/78/562081978.db2.gz RYNOHBTVPACALD-UHFFFAOYSA-N 2 2 526.106 4.820 1 0 KJAFLP [NH3+]CCCC(=O)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000040879565 562082472 /nfs/dbraw/zinc/08/24/72/562082472.db2.gz LNJVBKQGWKWNDE-UHFFFAOYSA-N 2 2 522.637 4.598 1 0 KJAFLP O=C(C[NH+]1CCCCC1)Nc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(C(=O)NCC[NH+]2CCCC2)c1 ZINC000040897888 562083145 /nfs/dbraw/zinc/08/31/45/562083145.db2.gz DOSDPMXDSKRFTI-UHFFFAOYSA-N 3 2 535.092 4.882 1 0 KJAFLP CCOc1cc2[nH+]ccc(Nc3cccc(Br)c3)c2cc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000040899909 562083444 /nfs/dbraw/zinc/08/34/44/562083444.db2.gz DSLGUZCGVWLDBV-QPJJXVBHSA-N 2 2 511.420 4.967 1 0 KJAFLP COc1cc2[nH+]c(N3CCC([NH+]4CCCC4)CC3)nc(NC3CC[NH+](Cc4ccccc4)CC3)c2cc1OC ZINC000040933019 562084596 /nfs/dbraw/zinc/08/45/96/562084596.db2.gz PKAQMUNUKPPTFK-UHFFFAOYSA-N 3 2 530.717 4.788 1 0 KJAFLP CCOc1cc2[nH+]cc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CC[NH+](CCOC)CC1 ZINC000040934324 562084746 /nfs/dbraw/zinc/08/47/46/562084746.db2.gz YQJPMDHVMJQUKV-UHFFFAOYSA-N 2 2 518.445 4.551 1 0 KJAFLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(O[C@H]3CC[NH2+]C3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000040936257 562085162 /nfs/dbraw/zinc/08/51/62/562085162.db2.gz QDPMXBCJIXLUQB-IRXDYDNUSA-N 2 2 513.263 4.501 1 0 KJAFLP O=C(N[C@H]1CC[N@H+](Cc2ccc(O[C@H]3CC[NH2+]C3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000040936257 562085159 /nfs/dbraw/zinc/08/51/59/562085159.db2.gz QDPMXBCJIXLUQB-IRXDYDNUSA-N 2 2 513.263 4.501 1 0 KJAFLP COc1cc2[nH+]c(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)nc(NCc3ccc(Cl)cc3)c2cc1OC ZINC000040955800 562086564 /nfs/dbraw/zinc/08/65/64/562086564.db2.gz JUTQNVZXCFFRSI-FQEVSTJZSA-N 2 2 526.081 4.586 1 0 KJAFLP COc1cc2[nH+]c(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)nc(NCc3ccc(Cl)cc3)c2cc1OC ZINC000040955800 562086563 /nfs/dbraw/zinc/08/65/63/562086563.db2.gz JUTQNVZXCFFRSI-FQEVSTJZSA-N 2 2 526.081 4.586 1 0 KJAFLP COc1cc2[nH+]c(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc(NCc3ccc(Cl)cc3)c2cc1OC ZINC000040955803 562086571 /nfs/dbraw/zinc/08/65/71/562086571.db2.gz JUTQNVZXCFFRSI-HXUWFJFHSA-N 2 2 526.081 4.586 1 0 KJAFLP COc1cc2[nH+]c(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc(NCc3ccc(Cl)cc3)c2cc1OC ZINC000040955803 562086570 /nfs/dbraw/zinc/08/65/70/562086570.db2.gz JUTQNVZXCFFRSI-HXUWFJFHSA-N 2 2 526.081 4.586 1 0 KJAFLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043021579 562644947 /nfs/dbraw/zinc/64/49/47/562644947.db2.gz LXXCGDJSCVIHPJ-MUUNZHRXSA-N 2 2 555.645 4.833 1 0 KJAFLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043021582 562644955 /nfs/dbraw/zinc/64/49/55/562644955.db2.gz LXXCGDJSCVIHPJ-NDEPHWFRSA-N 2 2 555.645 4.833 1 0 KJAFLP CC(C)[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043076089 562645713 /nfs/dbraw/zinc/64/57/13/562645713.db2.gz SWXMZPVNESUFKL-XMMPIXPASA-N 2 2 502.585 4.681 1 0 KJAFLP CC(C)[C@H](Cn1cc[nH+]c1)NC(=O)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043076092 562645710 /nfs/dbraw/zinc/64/57/10/562645710.db2.gz SWXMZPVNESUFKL-DEOSSOPVSA-N 2 2 502.585 4.681 1 0 KJAFLP C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)C[NH+]1CCN(c2cccc(N3CCCC3)[nH+]2)CC1 ZINC000043640992 562650393 /nfs/dbraw/zinc/65/03/93/562650393.db2.gz UPUAOIBNQPKHHU-QPGXSWFSSA-N 2 2 558.767 4.556 1 0 KJAFLP C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)C[NH+]1CCN(c2cccc(N3CCCC3)[nH+]2)CC1 ZINC000043640993 562650420 /nfs/dbraw/zinc/65/04/20/562650420.db2.gz UPUAOIBNQPKHHU-NDHDHVJCSA-N 2 2 558.767 4.556 1 0 KJAFLP C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)C[NH+]1CCN(c2cccc(N3CCCC3)[nH+]2)CC1 ZINC000043640994 562650446 /nfs/dbraw/zinc/65/04/46/562650446.db2.gz UPUAOIBNQPKHHU-WXZAIELKSA-N 2 2 558.767 4.556 1 0 KJAFLP C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)C[NH+]1CCN(c2cccc(N3CCCC3)[nH+]2)CC1 ZINC000043640995 562650408 /nfs/dbraw/zinc/65/04/08/562650408.db2.gz UPUAOIBNQPKHHU-ZKMGGTLUSA-N 2 2 558.767 4.556 1 0 KJAFLP Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCC[NH2+]Cc4c[nH+]c[nH]4)c3Cl)c2n1 ZINC000044221744 562652686 /nfs/dbraw/zinc/65/26/86/562652686.db2.gz YDFGFQBXRVQTAF-UHFFFAOYSA-N 2 2 619.575 4.505 1 0 KJAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)NCCN2CCOCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000044281639 562653184 /nfs/dbraw/zinc/65/31/84/562653184.db2.gz UGLNKUZEORXULS-UHFFFAOYSA-N 2 2 581.117 4.615 1 0 KJAFLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000044307852 562654131 /nfs/dbraw/zinc/65/41/31/562654131.db2.gz JGMQOJSHZALBEB-RRPNLBNLSA-N 2 2 634.769 4.544 1 0 KJAFLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000044307852 562654130 /nfs/dbraw/zinc/65/41/30/562654130.db2.gz JGMQOJSHZALBEB-RRPNLBNLSA-N 2 2 634.769 4.544 1 0 KJAFLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000044307857 562654118 /nfs/dbraw/zinc/65/41/18/562654118.db2.gz JGMQOJSHZALBEB-KAYWLYCHSA-N 2 2 634.769 4.544 1 0 KJAFLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000044307857 562654117 /nfs/dbraw/zinc/65/41/17/562654117.db2.gz JGMQOJSHZALBEB-KAYWLYCHSA-N 2 2 634.769 4.544 1 0 KJAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)NCCCN2CC[NH2+]CC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000044351266 562654576 /nfs/dbraw/zinc/65/45/76/562654576.db2.gz FBPYLFOGJJZAHD-UHFFFAOYSA-N 3 2 594.160 4.578 1 0 KJAFLP O=C(Cc1[nH+]ccn1Cc1ccc2ccccc2c1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000044405443 562656672 /nfs/dbraw/zinc/65/66/72/562656672.db2.gz QMKCPJFVWUHBTI-PMERELPUSA-N 2 2 534.660 4.838 1 0 KJAFLP C[NH+](C)CCNC(=O)OCc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000044430641 562657626 /nfs/dbraw/zinc/65/76/26/562657626.db2.gz QFYVJSKQPQIBGR-UHFFFAOYSA-N 3 2 539.080 4.844 1 0 KJAFLP COc1cc2c(cc1OCC[NH+]1CCC([NH+]3CCCC3)CC1)N(C(=O)/C=C/c1ccccc1Cl)CC2 ZINC000045167975 562658077 /nfs/dbraw/zinc/65/80/77/562658077.db2.gz CFWDIVMMLHYXBB-CMDGGOBGSA-N 2 2 510.078 4.890 1 0 KJAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC([NH2+]CCOc4cc(C(F)(F)F)ccc4F)CC3)c2c1 ZINC000045168842 562658171 /nfs/dbraw/zinc/65/81/71/562658171.db2.gz KJOHLEGJYAFMBL-DEOSSOPVSA-N 2 2 507.528 4.568 1 0 KJAFLP Fc1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(CC[NH+]6CCOCC6)CC5)cc4)s3)nc2c1 ZINC000045168870 562658155 /nfs/dbraw/zinc/65/81/55/562658155.db2.gz SUCFMPYAEUPZQF-UHFFFAOYSA-N 2 2 505.663 4.547 1 0 KJAFLP Cc1noc(C)c1C[NH+]1CCCN(c2ccc3c(c2)CC[N@H+](Cc2ccc(-c4[nH]cc[nH+]4)cc2)CC3)CC1 ZINC000045188419 562658351 /nfs/dbraw/zinc/65/83/51/562658351.db2.gz LXIQEFUKTIOSFC-UHFFFAOYSA-N 3 2 510.686 4.995 1 0 KJAFLP Cc1noc(C)c1C[NH+]1CCCN(c2ccc3c(c2)CC[N@@H+](Cc2ccc(-c4[nH]cc[nH+]4)cc2)CC3)CC1 ZINC000045188419 562658350 /nfs/dbraw/zinc/65/83/50/562658350.db2.gz LXIQEFUKTIOSFC-UHFFFAOYSA-N 3 2 510.686 4.995 1 0 KJAFLP Cc1noc(C)c1C[N@H+]1CCCN(c2ccc3c(c2)CC[NH+](Cc2ccc(-c4[nH]cc[nH+]4)cc2)CC3)CC1 ZINC000045188419 562658349 /nfs/dbraw/zinc/65/83/49/562658349.db2.gz LXIQEFUKTIOSFC-UHFFFAOYSA-N 3 2 510.686 4.995 1 0 KJAFLP Cc1noc(C)c1C[N@@H+]1CCCN(c2ccc3c(c2)CC[NH+](Cc2ccc(-c4[nH]cc[nH+]4)cc2)CC3)CC1 ZINC000045188419 562658348 /nfs/dbraw/zinc/65/83/48/562658348.db2.gz LXIQEFUKTIOSFC-UHFFFAOYSA-N 3 2 510.686 4.995 1 0 KJAFLP O=S(=O)(c1ccc2ccccc2c1)N1CCC[N@@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)CC1 ZINC000045192086 562658669 /nfs/dbraw/zinc/65/86/69/562658669.db2.gz HMSCSKHLKAHQDD-UHFFFAOYSA-N 2 2 521.727 4.991 1 0 KJAFLP O=S(=O)(c1ccc2ccccc2c1)N1CCC[N@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)CC1 ZINC000045192086 562658668 /nfs/dbraw/zinc/65/86/68/562658668.db2.gz HMSCSKHLKAHQDD-UHFFFAOYSA-N 2 2 521.727 4.991 1 0 KJAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC([NH2+]Cc4cc5cc(OC(F)(F)F)ccc5[nH]4)CC3)c2c1 ZINC000045203017 562659261 /nfs/dbraw/zinc/65/92/61/562659261.db2.gz XIZDNVKEWUAZEA-SANMLTNESA-N 2 2 514.548 4.911 1 0 KJAFLP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(CC[NH+]6CCOCC6)CC5)cc4)s3)nc21 ZINC000045211166 562659371 /nfs/dbraw/zinc/65/93/71/562659371.db2.gz NSZTYVIBSIMNMC-UHFFFAOYSA-N 2 2 501.700 4.717 1 0 KJAFLP Cc1cc(OCCC[NH+]2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c2ccccc2[nH+]1 ZINC000045230260 562659616 /nfs/dbraw/zinc/65/96/16/562659616.db2.gz VMSKFMGPKFXLAY-UHFFFAOYSA-N 2 2 507.578 4.774 1 0 KJAFLP COCCN1C(=S)N=NC1c1c[nH+]c2c(cccc2C(F)(F)F)c1N1CC[NH+](C2CCCCC2)CC1 ZINC000045256621 562659932 /nfs/dbraw/zinc/65/99/32/562659932.db2.gz NIJKWXQRESUHDI-UHFFFAOYSA-N 2 2 520.625 4.902 1 0 KJAFLP COc1ccc2c(c1)C[NH+](C)[C@@](C)(C(=O)N[C@H](C[N@H+]1CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C1)C(C)C)C2 ZINC000045287405 562660229 /nfs/dbraw/zinc/66/02/29/562660229.db2.gz PGPLWUFZXSONLE-NSPDZHQZSA-N 2 2 507.719 4.588 1 0 KJAFLP COc1ccc2c(c1)C[NH+](C)[C@@](C)(C(=O)N[C@H](C[N@@H+]1CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C1)C(C)C)C2 ZINC000045287405 562660228 /nfs/dbraw/zinc/66/02/28/562660228.db2.gz PGPLWUFZXSONLE-NSPDZHQZSA-N 2 2 507.719 4.588 1 0 KJAFLP COc1ccc2c(c1)C[N@H+](C)[C@@](C)(C(=O)N[C@H](C[NH+]1CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C1)C(C)C)C2 ZINC000045287405 562660227 /nfs/dbraw/zinc/66/02/27/562660227.db2.gz PGPLWUFZXSONLE-NSPDZHQZSA-N 2 2 507.719 4.588 1 0 KJAFLP COc1ccc2c(c1)C[N@@H+](C)[C@@](C)(C(=O)N[C@H](C[NH+]1CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C1)C(C)C)C2 ZINC000045287405 562660226 /nfs/dbraw/zinc/66/02/26/562660226.db2.gz PGPLWUFZXSONLE-NSPDZHQZSA-N 2 2 507.719 4.588 1 0 KJAFLP Cc1cc(OCCC[NH+]2CCC(NS(=O)(=O)c3cccc(Br)c3)CC2)c2ccccc2[nH+]1 ZINC000045301449 562660532 /nfs/dbraw/zinc/66/05/32/562660532.db2.gz VEBUJODBXYOEPJ-UHFFFAOYSA-N 2 2 518.477 4.518 1 0 KJAFLP [NH3+]C1CCN(c2nc(NCCCc3ccc(O)cc3)nc(NCc3ccccc3-c3ccccc3)[nH+]2)CC1 ZINC000045302610 562660655 /nfs/dbraw/zinc/66/06/55/562660655.db2.gz MZMRGPQFGWEUFA-UHFFFAOYSA-N 2 2 509.658 4.829 1 0 KJAFLP [NH3+]C1CCN(c2nc(NCc3ccccc3-c3ccccc3)nc(NCCCc3ccc(O)cc3)[nH+]2)CC1 ZINC000045302610 562660654 /nfs/dbraw/zinc/66/06/54/562660654.db2.gz MZMRGPQFGWEUFA-UHFFFAOYSA-N 2 2 509.658 4.829 1 0 KJAFLP [NH3+]C1CCN(c2nc(NCCCc3ccc(O)cc3)[nH+]c(NCc3ccccc3-c3ccccc3)n2)CC1 ZINC000045302610 562660653 /nfs/dbraw/zinc/66/06/53/562660653.db2.gz MZMRGPQFGWEUFA-UHFFFAOYSA-N 2 2 509.658 4.829 1 0 KJAFLP COc1cc(F)c2ncc(Cl)c(CC[NH+]3CCC([NH2+]Cc4ccc5c(c4)NC(=O)CS5)CC3)c2c1 ZINC000045334720 562661285 /nfs/dbraw/zinc/66/12/85/562661285.db2.gz JQNYGYOMIIOFTG-UHFFFAOYSA-N 2 2 515.054 4.877 1 0 KJAFLP CC[NH+](CC)CCNc1nc(NCCCNc2cc[nH+]c3cc(Cl)ccc23)[nH+]c(N2CCCCC2)n1 ZINC000045353558 562661770 /nfs/dbraw/zinc/66/17/70/562661770.db2.gz ABVSWKIOCASRNP-UHFFFAOYSA-N 3 2 512.106 4.731 1 0 KJAFLP Cc1cc2[nH+]c(N3CC[NH+](CCO)CC3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045357311 562661950 /nfs/dbraw/zinc/66/19/50/562661950.db2.gz CONZTGIPLNJHNY-UHFFFAOYSA-N 2 2 520.718 4.951 1 0 KJAFLP Cc1cc2nc(N3CC[NH+](CCO)CC3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045357311 562661949 /nfs/dbraw/zinc/66/19/49/562661949.db2.gz CONZTGIPLNJHNY-UHFFFAOYSA-N 2 2 520.718 4.951 1 0 KJAFLP C[N@H+]1CCC=C(c2nsnc2OCCCC[NH2+]CCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000045366550 562662117 /nfs/dbraw/zinc/66/21/17/562662117.db2.gz DVECOLWIOOJDML-UHFFFAOYSA-N 3 2 506.720 4.935 1 0 KJAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCC[NH2+]CCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000045366550 562662116 /nfs/dbraw/zinc/66/21/16/562662116.db2.gz DVECOLWIOOJDML-UHFFFAOYSA-N 3 2 506.720 4.935 1 0 KJAFLP COc1cc2[nH+]c(N3CCC([N@@H+](C)CCCCO)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000045496821 562662750 /nfs/dbraw/zinc/66/27/50/562662750.db2.gz FULJKBQKEUBPBM-UHFFFAOYSA-N 2 2 500.043 4.717 1 0 KJAFLP COc1cc2[nH+]c(N3CCC([N@H+](C)CCCCO)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000045496821 562662749 /nfs/dbraw/zinc/66/27/49/562662749.db2.gz FULJKBQKEUBPBM-UHFFFAOYSA-N 2 2 500.043 4.717 1 0 KJAFLP O=C(C[NH+]1CCCCC1)Nc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(C(=O)N2CCOCC2)c1 ZINC000045498703 562662833 /nfs/dbraw/zinc/66/28/33/562662833.db2.gz QSHFINCERLJELW-UHFFFAOYSA-N 2 2 508.022 4.529 1 0 KJAFLP C[NH+](C)CCNc1nc(N2CCc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3C2)cc[nH+]1 ZINC000049605001 562665193 /nfs/dbraw/zinc/66/51/93/562665193.db2.gz PMBQZHAFBBBRHK-UHFFFAOYSA-N 2 2 549.054 4.918 1 0 KJAFLP COc1cc2[nH+]c(N3CCC(CNC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5C)cc4)CC3)nc(N3CC[NH+](C)CC3)c2cc1OC ZINC000049605185 562665434 /nfs/dbraw/zinc/66/54/34/562665434.db2.gz LQXVWHIRNLUZIX-UHFFFAOYSA-N 2 2 665.839 4.722 1 0 KJAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC([NH2+]Cc4nc5c(cccc5OCc5ccccc5)[nH]4)CC3)c2c1 ZINC000049605569 562666018 /nfs/dbraw/zinc/66/60/18/562666018.db2.gz LZQVRDDSNOSPPV-LJAQVGFWSA-N 2 2 537.664 4.986 1 0 KJAFLP C[NH+]1CCC([NH+]2CCN(CCOc3cc(NC(=O)/C=C/c4ccccc4Cl)ccc3Br)CC2)CC1 ZINC000049605571 562665995 /nfs/dbraw/zinc/66/59/95/562665995.db2.gz AWIMDACXPWHYIY-RMKNXTFCSA-N 2 2 561.952 4.845 1 0 KJAFLP C[NH+]1CC[C@H](Oc2cc(C[N@H+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605597 562666120 /nfs/dbraw/zinc/66/61/20/562666120.db2.gz XFUKIAYRJVFVSZ-ROUUACIJSA-N 2 2 574.290 4.685 1 0 KJAFLP C[NH+]1CC[C@H](Oc2cc(C[N@@H+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605597 562666119 /nfs/dbraw/zinc/66/61/19/562666119.db2.gz XFUKIAYRJVFVSZ-ROUUACIJSA-N 2 2 574.290 4.685 1 0 KJAFLP C[N@H+]1CC[C@H](Oc2cc(C[NH+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605597 562666118 /nfs/dbraw/zinc/66/61/18/562666118.db2.gz XFUKIAYRJVFVSZ-ROUUACIJSA-N 2 2 574.290 4.685 1 0 KJAFLP C[N@@H+]1CC[C@H](Oc2cc(C[NH+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605597 562666117 /nfs/dbraw/zinc/66/61/17/562666117.db2.gz XFUKIAYRJVFVSZ-ROUUACIJSA-N 2 2 574.290 4.685 1 0 KJAFLP C[NH+]1CC[C@@H](Oc2cc(C[N@H+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605598 562666064 /nfs/dbraw/zinc/66/60/64/562666064.db2.gz XFUKIAYRJVFVSZ-ZWKOTPCHSA-N 2 2 574.290 4.685 1 0 KJAFLP C[NH+]1CC[C@@H](Oc2cc(C[N@@H+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605598 562666063 /nfs/dbraw/zinc/66/60/63/562666063.db2.gz XFUKIAYRJVFVSZ-ZWKOTPCHSA-N 2 2 574.290 4.685 1 0 KJAFLP C[N@H+]1CC[C@@H](Oc2cc(C[NH+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605598 562666062 /nfs/dbraw/zinc/66/60/62/562666062.db2.gz XFUKIAYRJVFVSZ-ZWKOTPCHSA-N 2 2 574.290 4.685 1 0 KJAFLP C[N@@H+]1CC[C@@H](Oc2cc(C[NH+]3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605598 562666061 /nfs/dbraw/zinc/66/60/61/562666061.db2.gz XFUKIAYRJVFVSZ-ZWKOTPCHSA-N 2 2 574.290 4.685 1 0 KJAFLP COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)C[N@H+]2CC[C@@H](O)C2)ccc1OCC[NH+]1CCCC1 ZINC000049605671 562666125 /nfs/dbraw/zinc/66/61/25/562666125.db2.gz AXASNZPKVHWYBX-HSZRJFAPSA-N 2 2 599.153 4.809 1 0 KJAFLP COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)C[N@@H+]2CC[C@@H](O)C2)ccc1OCC[NH+]1CCCC1 ZINC000049605671 562666124 /nfs/dbraw/zinc/66/61/24/562666124.db2.gz AXASNZPKVHWYBX-HSZRJFAPSA-N 2 2 599.153 4.809 1 0 KJAFLP COc1ccc([C@@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000049626213 562667071 /nfs/dbraw/zinc/66/70/71/562667071.db2.gz XFGXXXZGYIVIGP-PXLJZGITSA-N 2 2 627.761 4.569 1 0 KJAFLP COc1ccc([C@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000049626215 562667053 /nfs/dbraw/zinc/66/70/53/562667053.db2.gz XFGXXXZGYIVIGP-OIDHKYIRSA-N 2 2 627.761 4.569 1 0 KJAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OCC[NH+]1CCCCC1 ZINC000049678615 562668630 /nfs/dbraw/zinc/66/86/30/562668630.db2.gz VDEFSHMEYOAABL-LJAQVGFWSA-N 2 2 538.656 4.594 1 0 KJAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OCC[NH+]1CCCCC1 ZINC000049678618 562668637 /nfs/dbraw/zinc/66/86/37/562668637.db2.gz VDEFSHMEYOAABL-GDLZYMKVSA-N 2 2 538.656 4.594 1 0 KJAFLP COc1ccc(C(OC[C@@H](O)C[NH2+]CC[NH2+]C[C@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000049694999 562670068 /nfs/dbraw/zinc/67/00/68/562670068.db2.gz CHJKRMYMUMGGIY-ACHIHNKUSA-N 2 2 660.808 4.534 1 0 KJAFLP COc1cc2[nH+]ccc(Oc3ccc(NC(=O)c4c(N5CC[NH+](C)CC5)ccn(-c5ccccc5)c4=O)nc3)c2cc1OC ZINC000049695446 562670567 /nfs/dbraw/zinc/67/05/67/562670567.db2.gz KKIIRQGJRIUEDS-UHFFFAOYSA-N 2 2 592.656 4.594 1 0 KJAFLP COc1ccc(C(OC[C@H](O)C[NH2+]CC[NH2+]C[C@@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000049708307 562670885 /nfs/dbraw/zinc/67/08/85/562670885.db2.gz CHJKRMYMUMGGIY-ROJLCIKYSA-N 2 2 660.808 4.534 1 0 KJAFLP O[C@@H](C[NH2+]CC[NH2+]C[C@H](O)COC(c1cccs1)c1cccs1)COC(c1cccs1)c1cccs1 ZINC000049709059 562671201 /nfs/dbraw/zinc/67/12/01/562671201.db2.gz FENRZDBIURGBDZ-PMACEKPBSA-N 2 2 564.820 4.746 1 0 KJAFLP O[C@H](C[NH2+]CC[NH2+]C[C@@H](O)COC(c1cccs1)c1cccs1)COC(c1cccs1)c1cccs1 ZINC000049709424 562671334 /nfs/dbraw/zinc/67/13/34/562671334.db2.gz FENRZDBIURGBDZ-WOJBJXKFSA-N 2 2 564.820 4.746 1 0 KJAFLP CC[C@H](C)[C@@H](C[NH+]1CC[C@@](C)(c2cccc(OC)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2C[N@H+]1C ZINC000049709953 562671457 /nfs/dbraw/zinc/67/14/57/562671457.db2.gz MIVYGQGLBSAGAW-GEUOHPOXSA-N 2 2 507.719 4.588 1 0 KJAFLP CC[C@H](C)[C@@H](C[NH+]1CC[C@@](C)(c2cccc(OC)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2C[N@@H+]1C ZINC000049709953 562671456 /nfs/dbraw/zinc/67/14/56/562671456.db2.gz MIVYGQGLBSAGAW-GEUOHPOXSA-N 2 2 507.719 4.588 1 0 KJAFLP CC[C@H](C)[C@@H](C[N@H+]1CC[C@@](C)(c2cccc(OC)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2C[NH+]1C ZINC000049709953 562671455 /nfs/dbraw/zinc/67/14/55/562671455.db2.gz MIVYGQGLBSAGAW-GEUOHPOXSA-N 2 2 507.719 4.588 1 0 KJAFLP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(OC)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2C[NH+]1C ZINC000049709953 562671454 /nfs/dbraw/zinc/67/14/54/562671454.db2.gz MIVYGQGLBSAGAW-GEUOHPOXSA-N 2 2 507.719 4.588 1 0 KJAFLP COc1ccc(CNC(=O)c2ccc3c(c2)[NH+]=C(/C=C/c2ccccc2)N(CC[NH+]2CCOCC2)C3)cc1 ZINC000049723367 562673329 /nfs/dbraw/zinc/67/33/29/562673329.db2.gz COFYUVMKZQAOAF-NTEUORMPSA-N 2 2 510.638 4.516 1 0 KJAFLP C[N@H+]1CCC=C(c2nsnc2OCCCOCCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746956 562674686 /nfs/dbraw/zinc/67/46/86/562674686.db2.gz UFDWCHMFGTWGGU-UHFFFAOYSA-N 2 2 578.783 4.868 1 0 KJAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCOCCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746956 562674685 /nfs/dbraw/zinc/67/46/85/562674685.db2.gz UFDWCHMFGTWGGU-UHFFFAOYSA-N 2 2 578.783 4.868 1 0 KJAFLP C[N@H+]1CCC=C(c2nsnc2OCCCOCCCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049756045 562674824 /nfs/dbraw/zinc/67/48/24/562674824.db2.gz JTFYAHITKTWTLJ-UHFFFAOYSA-N 2 2 578.783 4.868 1 0 KJAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCOCCCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049756045 562674823 /nfs/dbraw/zinc/67/48/23/562674823.db2.gz JTFYAHITKTWTLJ-UHFFFAOYSA-N 2 2 578.783 4.868 1 0 KJAFLP COc1cc(Nc2nc(NCCCNc3cc[nH+]c4cc(Cl)ccc34)[nH+]c(N3CCOCC3)n2)cc(OC)c1 ZINC000049756662 562675176 /nfs/dbraw/zinc/67/51/76/562675176.db2.gz URECETULQIOPBA-UHFFFAOYSA-N 2 2 551.051 4.585 1 0 KJAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5s4)[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000049777949 562680720 /nfs/dbraw/zinc/68/07/20/562680720.db2.gz NSOPRCNUTOWNNJ-SQDTVNEGSA-N 2 2 588.774 4.923 1 0 KJAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5s4)[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000049777949 562680719 /nfs/dbraw/zinc/68/07/19/562680719.db2.gz NSOPRCNUTOWNNJ-SQDTVNEGSA-N 2 2 588.774 4.923 1 0 KJAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5s4)[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000049777950 562680713 /nfs/dbraw/zinc/68/07/13/562680713.db2.gz NSOPRCNUTOWNNJ-GPNZKFMPSA-N 2 2 588.774 4.923 1 0 KJAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5s4)[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)c2c1 ZINC000049777951 562680710 /nfs/dbraw/zinc/68/07/10/562680710.db2.gz NSOPRCNUTOWNNJ-DPXQANEFSA-N 2 2 588.774 4.923 1 0 KJAFLP CC(C)[NH+]1CCN(C(=O)c2ccc(C[N@@H+](C)CCCN3CCN(c4cccc(Cl)c4Cl)CC3)s2)CC1 ZINC000049780270 562681516 /nfs/dbraw/zinc/68/15/16/562681516.db2.gz NBLDGXOQBJZAJG-UHFFFAOYSA-N 2 2 552.616 4.865 1 0 KJAFLP CC(C)[NH+]1CCN(C(=O)c2ccc(C[N@H+](C)CCCN3CCN(c4cccc(Cl)c4Cl)CC3)s2)CC1 ZINC000049780270 562681515 /nfs/dbraw/zinc/68/15/15/562681515.db2.gz NBLDGXOQBJZAJG-UHFFFAOYSA-N 2 2 552.616 4.865 1 0 KJAFLP O[C@@H](Cn1nc(-c2ccc(C(F)(F)F)c(SCC[NH+]3CCC(F)CC3)c2)c2c1CC[NH2+]C2)C[NH+]1CCCCC1 ZINC000049780672 562682076 /nfs/dbraw/zinc/68/20/76/562682076.db2.gz LZILNQBYNQZWDJ-JOCHJYFZSA-N 3 2 569.713 4.587 1 0 KJAFLP O[C@H](Cn1nc(-c2ccc(C(F)(F)F)c(SCC[NH+]3CCC(F)CC3)c2)c2c1CC[NH2+]C2)C[NH+]1CCCCC1 ZINC000049780673 562682070 /nfs/dbraw/zinc/68/20/70/562682070.db2.gz LZILNQBYNQZWDJ-QFIPXVFZSA-N 3 2 569.713 4.587 1 0 KJAFLP C[NH+]1CCN(c2ccc(-c3c[nH+]c4c(c3)N(Cc3c(Cl)cccc3C(F)(F)F)CCN4)cn2)CC1 ZINC000049803722 562686233 /nfs/dbraw/zinc/68/62/33/562686233.db2.gz QIBLDUNJBOMYQX-UHFFFAOYSA-N 2 2 502.972 5.000 1 0 KJAFLP CCOc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCC[NH+]3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000049833200 562687570 /nfs/dbraw/zinc/68/75/70/562687570.db2.gz CEUKEBDCJVKUQZ-UHFFFAOYSA-N 2 2 653.268 4.888 1 0 KJAFLP CCOc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCC[NH+]3CCN(c4ccccc4OCC)CC3)c(=O)c2Cl)CC1 ZINC000049833581 562687889 /nfs/dbraw/zinc/68/78/89/562687889.db2.gz VPGSUCZVSUITFC-UHFFFAOYSA-N 2 2 653.268 4.888 1 0 KJAFLP CC(C)Oc1ccccc1N1CC[NH+](CCCCCn2ncc(N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049841315 562688216 /nfs/dbraw/zinc/68/82/16/562688216.db2.gz KEXZBQSCYJICOO-MUUNZHRXSA-N 2 2 651.252 4.638 1 0 KJAFLP CC(C)Oc1ccccc1N1CC[NH+](CCCCCn2ncc(N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049841316 562688241 /nfs/dbraw/zinc/68/82/41/562688241.db2.gz KEXZBQSCYJICOO-NDEPHWFRSA-N 2 2 651.252 4.638 1 0 KJAFLP CCOc1ccccc1N1CC[NH+](CCCCCCn2ncc(N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049841474 562688412 /nfs/dbraw/zinc/68/84/12/562688412.db2.gz UOHOVARVYPIDAL-MUUNZHRXSA-N 2 2 651.252 4.640 1 0 KJAFLP CCOc1ccccc1N1CC[NH+](CCCCCCn2ncc(N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049841475 562688418 /nfs/dbraw/zinc/68/84/18/562688418.db2.gz UOHOVARVYPIDAL-NDEPHWFRSA-N 2 2 651.252 4.640 1 0 KJAFLP CCOc1ccccc1OCC[NH+]1CCN(c2cnn(CCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049841586 562688512 /nfs/dbraw/zinc/68/85/12/562688512.db2.gz TYXIXPLOEYJSBT-UHFFFAOYSA-N 2 2 653.268 4.886 1 0 KJAFLP C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CC[NH+](C)CC1 ZINC000049872509 562690081 /nfs/dbraw/zinc/69/00/81/562690081.db2.gz ZCDDSAFCVJQEDO-VWNXMTODSA-N 2 2 541.705 4.774 1 0 KJAFLP C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CC[NH+](C)CC1 ZINC000049872509 562690080 /nfs/dbraw/zinc/69/00/80/562690080.db2.gz ZCDDSAFCVJQEDO-VWNXMTODSA-N 2 2 541.705 4.774 1 0 KJAFLP C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CC[NH+](C)CC1 ZINC000049872510 562690086 /nfs/dbraw/zinc/69/00/86/562690086.db2.gz ZCDDSAFCVJQEDO-UPVQGACJSA-N 2 2 541.705 4.774 1 0 KJAFLP C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CC[NH+](C)CC1 ZINC000049872510 562690085 /nfs/dbraw/zinc/69/00/85/562690085.db2.gz ZCDDSAFCVJQEDO-UPVQGACJSA-N 2 2 541.705 4.774 1 0 KJAFLP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C[N@@H+](C)CCC[NH+](C)C)c4)ccc3F)c2)CC[NH2+]1 ZINC000049881603 562690953 /nfs/dbraw/zinc/69/09/53/562690953.db2.gz CIASUTYANWXVKR-VWLOTQADSA-N 3 2 545.747 4.600 1 0 KJAFLP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C[N@H+](C)CCC[NH+](C)C)c4)ccc3F)c2)CC[NH2+]1 ZINC000049881603 562690952 /nfs/dbraw/zinc/69/09/52/562690952.db2.gz CIASUTYANWXVKR-VWLOTQADSA-N 3 2 545.747 4.600 1 0 KJAFLP COc1cc2[nH+]c(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)nc(N(C)CCc3ccc(Cl)cc3)c2cc1OC ZINC000049889094 562691777 /nfs/dbraw/zinc/69/17/77/562691777.db2.gz GQWOASRGSHATHM-QFIPXVFZSA-N 2 2 554.135 4.652 1 0 KJAFLP COc1cc2[nH+]c(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)nc(N(C)CCc3ccc(Cl)cc3)c2cc1OC ZINC000049889094 562691776 /nfs/dbraw/zinc/69/17/76/562691776.db2.gz GQWOASRGSHATHM-QFIPXVFZSA-N 2 2 554.135 4.652 1 0 KJAFLP O[C@@H]1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC[NH2+]1 ZINC000049889530 562692208 /nfs/dbraw/zinc/69/22/08/562692208.db2.gz GEUJZAFEKBKRHA-WJOKGBTCSA-N 2 2 624.753 4.647 1 0 KJAFLP O[C@@H]1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC[NH2+]1 ZINC000049889530 562692207 /nfs/dbraw/zinc/69/22/07/562692207.db2.gz GEUJZAFEKBKRHA-WJOKGBTCSA-N 2 2 624.753 4.647 1 0 KJAFLP O[C@@H]1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC[NH2+]1 ZINC000049889530 562692206 /nfs/dbraw/zinc/69/22/06/562692206.db2.gz GEUJZAFEKBKRHA-WJOKGBTCSA-N 2 2 624.753 4.647 1 0 KJAFLP CCOc1ccccc1N1CC[NH+](CCCCCCn2ncc(N3CC[NH+](CCOc4ccccc4OC)CC3)c(Cl)c2=O)CC1 ZINC000049898813 562692891 /nfs/dbraw/zinc/69/28/91/562692891.db2.gz NAAIBXRKYAZKLR-UHFFFAOYSA-N 2 2 653.268 4.888 1 0 KJAFLP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000049917711 562693791 /nfs/dbraw/zinc/69/37/91/562693791.db2.gz HTRFNZIKGSZNQY-FQLXRVMXSA-N 2 2 588.539 4.632 1 0 KJAFLP CC(C)[NH+]1CCN(C(=O)c2ccc(C[NH2+]CCCN3CCN(c4cccc(Cl)c4Cl)CC3)s2)CC1 ZINC000049917768 562693889 /nfs/dbraw/zinc/69/38/89/562693889.db2.gz BUNSAGGXQNIFPG-UHFFFAOYSA-N 2 2 538.589 4.523 1 0 KJAFLP COc1ccc([C@@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000049918146 562694499 /nfs/dbraw/zinc/69/44/99/562694499.db2.gz PKTBHWQEGJXUSI-HEVIKAOCSA-N 2 2 580.729 4.666 1 0 KJAFLP COc1ccc([C@@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000049918146 562694498 /nfs/dbraw/zinc/69/44/98/562694498.db2.gz PKTBHWQEGJXUSI-HEVIKAOCSA-N 2 2 580.729 4.666 1 0 KJAFLP COc1ccc([C@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000049918147 562694503 /nfs/dbraw/zinc/69/45/03/562694503.db2.gz PKTBHWQEGJXUSI-SZAHLOSFSA-N 2 2 580.729 4.666 1 0 KJAFLP COc1ccc([C@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000049918147 562694502 /nfs/dbraw/zinc/69/45/02/562694502.db2.gz PKTBHWQEGJXUSI-SZAHLOSFSA-N 2 2 580.729 4.666 1 0 KJAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cccs4)[NH+]4CCN(c5ccc(F)cc5)CC4)CC3)c2c1 ZINC000049918189 562694612 /nfs/dbraw/zinc/69/46/12/562694612.db2.gz KXKRRBCODZJAMA-XDFJSJKPSA-N 2 2 603.764 4.622 1 0 KJAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cccs4)[NH+]4CCN(c5ccc(F)cc5)CC4)CC3)c2c1 ZINC000049918190 562694605 /nfs/dbraw/zinc/69/46/05/562694605.db2.gz KXKRRBCODZJAMA-CDZUIXILSA-N 2 2 603.764 4.622 1 0 KJAFLP C[NH+]1CCN(C(=O)c2cn(Cc3c[nH+]cn3Cc3ccc4c(c3)OCO4)cc2-c2cccc3ccccc32)CC1 ZINC000053084393 562696171 /nfs/dbraw/zinc/69/61/71/562696171.db2.gz HWLBLFBLGGVDBT-UHFFFAOYSA-N 2 2 533.632 4.718 1 0 KJAFLP Cc1nc(Nc2[nH+]ccn2-c2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053296955 562697426 /nfs/dbraw/zinc/69/74/26/562697426.db2.gz KLSNYJMDCLUDHH-UHFFFAOYSA-N 2 2 596.614 4.809 1 0 KJAFLP CS(=O)(=O)N(c1cc[nH+]cc1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000058468484 562697934 /nfs/dbraw/zinc/69/79/34/562697934.db2.gz SOGVSPVLCXEDPN-URLMMPGGSA-N 2 2 612.674 4.690 1 0 KJAFLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000058604014 562700962 /nfs/dbraw/zinc/70/09/62/562700962.db2.gz JGMQOJSHZALBEB-SXOMAYOGSA-N 2 2 634.769 4.544 1 0 KJAFLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000058604014 562700961 /nfs/dbraw/zinc/70/09/61/562700961.db2.gz JGMQOJSHZALBEB-SXOMAYOGSA-N 2 2 634.769 4.544 1 0 KJAFLP COc1cc2[nH+]c(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc(N(C)CCc3ccc(Cl)cc3)c2cc1OC ZINC000058638757 562701252 /nfs/dbraw/zinc/70/12/52/562701252.db2.gz GQWOASRGSHATHM-JOCHJYFZSA-N 2 2 554.135 4.652 1 0 KJAFLP COc1cc2[nH+]c(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc(N(C)CCc3ccc(Cl)cc3)c2cc1OC ZINC000058638757 562701251 /nfs/dbraw/zinc/70/12/51/562701251.db2.gz GQWOASRGSHATHM-JOCHJYFZSA-N 2 2 554.135 4.652 1 0 KJAFLP Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H](c3cc(F)cc(F)c3)C3CC[NH+](CC(F)F)CC3)C[C@@H]2C1 ZINC000064526359 562706620 /nfs/dbraw/zinc/70/66/20/562706620.db2.gz HIEMJINKLJLCCH-MVERNJQCSA-N 2 2 547.641 4.526 1 0 KJAFLP Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3cc(F)cc(F)c3)C3CC[NH+](CC(F)F)CC3)C[C@@H]2C1 ZINC000064526359 562706619 /nfs/dbraw/zinc/70/66/19/562706619.db2.gz HIEMJINKLJLCCH-MVERNJQCSA-N 2 2 547.641 4.526 1 0 KJAFLP Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](c3cc(F)cc(F)c3)C3CC[NH+](CC(F)F)CC3)C[C@@H]2C1 ZINC000064526361 562706627 /nfs/dbraw/zinc/70/66/27/562706627.db2.gz HIEMJINKLJLCCH-ZEVJAHDQSA-N 2 2 547.641 4.526 1 0 KJAFLP Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3cc(F)cc(F)c3)C3CC[NH+](CC(F)F)CC3)C[C@@H]2C1 ZINC000064526361 562706626 /nfs/dbraw/zinc/70/66/26/562706626.db2.gz HIEMJINKLJLCCH-ZEVJAHDQSA-N 2 2 547.641 4.526 1 0 KJAFLP Cc1cc(C2(c3cc(C)c(OC[C@H](O)C[NH+]4CCOCC4)c(C)c3)CCCCCC2)cc(C)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000064527193 562706850 /nfs/dbraw/zinc/70/68/50/562706850.db2.gz GCTRBHMETITVJH-KKLWWLSJSA-N 2 2 624.863 4.704 1 0 KJAFLP Cc1cc(C2(c3cc(C)c(OC[C@@H](O)C[NH+]4CCOCC4)c(C)c3)CCCCCC2)cc(C)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000064527194 562706778 /nfs/dbraw/zinc/70/67/78/562706778.db2.gz GCTRBHMETITVJH-AQOUDTPCSA-N 2 2 624.863 4.704 1 0 KJAFLP Cc1cc(C2(c3cc(C)c(OC[C@@H](O)C[NH+]4CCOCC4)c(C)c3)CCCCCC2)cc(C)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000064527195 562706815 /nfs/dbraw/zinc/70/68/15/562706815.db2.gz GCTRBHMETITVJH-HEVIKAOCSA-N 2 2 624.863 4.704 1 0 KJAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1 ZINC000066073982 562709586 /nfs/dbraw/zinc/70/95/86/562709586.db2.gz LCGAEBCCQAHCNV-JWHBBQGKSA-N 2 2 571.747 4.764 1 0 KJAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1 ZINC000066073982 562709585 /nfs/dbraw/zinc/70/95/85/562709585.db2.gz LCGAEBCCQAHCNV-JWHBBQGKSA-N 2 2 571.747 4.764 1 0 KJAFLP CC(C)(C)OC(=O)C[NH2+][C@@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000066075721 562710065 /nfs/dbraw/zinc/71/00/65/562710065.db2.gz ITGCFKQZXLLSPY-YVIDWFBLSA-N 2 2 574.762 4.913 1 0 KJAFLP CC(C)(C)OC(=O)C[NH2+][C@@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000066075721 562710064 /nfs/dbraw/zinc/71/00/64/562710064.db2.gz ITGCFKQZXLLSPY-YVIDWFBLSA-N 2 2 574.762 4.913 1 0 KJAFLP CC(C)(C)OC(=O)C[NH2+][C@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000066079560 562710615 /nfs/dbraw/zinc/71/06/15/562710615.db2.gz ITGCFKQZXLLSPY-DFHLVPMUSA-N 2 2 574.762 4.913 1 0 KJAFLP CC(C)(C)OC(=O)C[NH2+][C@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000066079560 562710614 /nfs/dbraw/zinc/71/06/14/562710614.db2.gz ITGCFKQZXLLSPY-DFHLVPMUSA-N 2 2 574.762 4.913 1 0 KJAFLP CNC(=O)c1cnc(N2CC[N@H+](C3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@@H](CC(C)C)C2)c(Cl)c1 ZINC000066079788 562710686 /nfs/dbraw/zinc/71/06/86/562710686.db2.gz OLWIGCQZRLZDLB-DEOSSOPVSA-N 2 2 518.533 4.949 1 0 KJAFLP CNC(=O)c1cnc(N2CC[N@@H+](C3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@@H](CC(C)C)C2)c(Cl)c1 ZINC000066079788 562710685 /nfs/dbraw/zinc/71/06/85/562710685.db2.gz OLWIGCQZRLZDLB-DEOSSOPVSA-N 2 2 518.533 4.949 1 0 KJAFLP CC[NH+](CC)CCC[NH2+]CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000067973938 562715664 /nfs/dbraw/zinc/71/56/64/562715664.db2.gz RHIQKBDGYXXOFL-UHFFFAOYSA-N 2 2 647.475 4.549 1 0 KJAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)c2nn[nH]n2)CC1 ZINC000071296105 562717439 /nfs/dbraw/zinc/71/74/39/562717439.db2.gz JWBCOXHRHLBATD-ZVBBVAIHSA-N 2 2 566.754 4.954 1 0 KJAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)c2nn[nH]n2)CC1 ZINC000071296105 562717438 /nfs/dbraw/zinc/71/74/38/562717438.db2.gz JWBCOXHRHLBATD-ZVBBVAIHSA-N 2 2 566.754 4.954 1 0 KJAFLP O=C(C[NH+]1CCN(c2cc[nH+]c(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccccc1)Cc1ccncc1 ZINC000071316360 562717883 /nfs/dbraw/zinc/71/78/83/562717883.db2.gz OWGWIDVJYFPTSN-UHFFFAOYSA-N 2 2 556.114 4.531 1 0 KJAFLP COc1cc2c(cc1OCCC[NH+]1CCCC1)[nH+]c(N1CCCCC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072116763 562723220 /nfs/dbraw/zinc/72/32/20/562723220.db2.gz LNNUARHMSLSGCH-UHFFFAOYSA-N 3 2 510.727 4.778 1 0 KJAFLP COc1cc2c(cc1OCCOCC[NH+](C)C)[nH+]c(C1CCCCC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072118725 562723649 /nfs/dbraw/zinc/72/36/49/562723649.db2.gz AOUKSAFLYFTXJC-UHFFFAOYSA-N 3 2 513.727 4.928 1 0 KJAFLP C[NH+](C)CCCn1cc(C[NH+]2CCN(c3cc(C(=O)Nc4ccc5c(c4)-c4c(c(C(N)=O)nn4-c4ccc(F)cc4)CC5)c(Cl)cn3)CC2)cn1 ZINC000072123683 562724849 /nfs/dbraw/zinc/72/48/49/562724849.db2.gz XUUJEVQPTANGLC-UHFFFAOYSA-N 2 2 711.246 4.647 1 0 KJAFLP C[C@H](Oc1cc(-c2cnn(C(C)(C)C(=O)NCC[NH+](C)C)c2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000072181272 562732707 /nfs/dbraw/zinc/73/27/07/562732707.db2.gz NJNFJKUWAWYKBY-AWEZNQCLSA-N 2 2 523.440 4.526 1 0 KJAFLP C[C@@H](Oc1cc(-c2cnn(C(C)(C)C(=O)NCC[NH+](C)C)c2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000072181273 562732731 /nfs/dbraw/zinc/73/27/31/562732731.db2.gz NJNFJKUWAWYKBY-CQSZACIVSA-N 2 2 523.440 4.526 1 0 KJAFLP Cc1ccc(Cn2cc(CN(C(=O)[C@H]3C[NH2+]CC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c2cccc3F)c[nH+]1 ZINC000073139403 562733439 /nfs/dbraw/zinc/73/34/39/562733439.db2.gz LVQKKHWEPPQIMP-XJFCNFDWSA-N 2 2 548.609 4.799 1 0 KJAFLP Cc1cc(Cn2cc(CN(C(=O)[C@H]3C[NH2+]CC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c2cccc3F)cc[nH+]1 ZINC000073139405 562733433 /nfs/dbraw/zinc/73/34/33/562733433.db2.gz WUJLFXTVWGUSLT-XJFCNFDWSA-N 2 2 548.609 4.799 1 0 KJAFLP COCCCc1cc(CCC[NH+]2CCOCC2)c(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000073158011 562733914 /nfs/dbraw/zinc/73/39/14/562733914.db2.gz PIBCEYLKROLZIT-SJHOIFEDSA-N 2 2 632.192 4.988 1 0 KJAFLP C[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000073197359 562735340 /nfs/dbraw/zinc/73/53/40/562735340.db2.gz UPCSNYCXZVMYAB-WJOKGBTCSA-N 2 2 591.152 4.541 1 0 KJAFLP Nc1c(N2CC[NH+](Cc3ccccc3)CC2)nc[nH+]c1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000073198442 562735710 /nfs/dbraw/zinc/73/57/10/562735710.db2.gz OCEHIXGDNPFBMF-QFIPXVFZSA-N 2 2 523.472 4.906 1 0 KJAFLP O=C(OCc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cc(CC[NH2+]CC(F)F)ccc2Cl)C2CC2)cc1)c1ccccc1 ZINC000073198888 562735871 /nfs/dbraw/zinc/73/58/71/562735871.db2.gz ANANIBOXRQGGII-GDLZYMKVSA-N 2 2 625.116 4.590 1 0 KJAFLP C[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000073200465 562736089 /nfs/dbraw/zinc/73/60/89/562736089.db2.gz YQMPXGLYDVWNQC-MUUNZHRXSA-N 2 2 615.096 4.984 1 0 KJAFLP O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000073276302 562737293 /nfs/dbraw/zinc/73/72/93/562737293.db2.gz OSZUJJYEPLOVTD-UHFFFAOYSA-N 2 2 527.513 4.581 1 0 KJAFLP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000073280278 562737443 /nfs/dbraw/zinc/73/74/43/562737443.db2.gz JYULPTUAHQIXEE-UMSFTDKQSA-N 2 2 602.845 4.899 1 0 KJAFLP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000073280281 562737481 /nfs/dbraw/zinc/73/74/81/562737481.db2.gz JYULPTUAHQIXEE-UUWRZZSWSA-N 2 2 602.845 4.899 1 0 KJAFLP c1ccc(C23NC(=[NH+]c4nc5ccccc5[nH]4)NC2(c2ccccc2)NC(=[NH+]c2nc4ccccc4[nH]2)N3)cc1 ZINC000079112460 562738843 /nfs/dbraw/zinc/73/88/43/562738843.db2.gz PCDSBNXNTDTPKY-UHFFFAOYSA-N 2 2 524.592 4.588 1 0 KJAFLP CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000082150592 562739836 /nfs/dbraw/zinc/73/98/36/562739836.db2.gz QFUDZMNMTPASGD-JGCGQSQUSA-N 2 2 605.179 4.931 1 0 KJAFLP CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c1 ZINC000082150595 562739852 /nfs/dbraw/zinc/73/98/52/562739852.db2.gz FNGVABQVTMRTLN-JGCGQSQUSA-N 2 2 635.205 4.940 1 0 KJAFLP COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cc(C[NH2+]CCF)ccc2Cl)C2CC2)cc1 ZINC000082154430 562740336 /nfs/dbraw/zinc/74/03/36/562740336.db2.gz PYCVFISYPBMBGN-JGCGQSQUSA-N 2 2 653.195 4.889 1 0 KJAFLP C[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c1 ZINC000082154934 562740466 /nfs/dbraw/zinc/74/04/66/562740466.db2.gz JZOFEMRRIQPNLC-WJOKGBTCSA-N 2 2 621.178 4.550 1 0 KJAFLP O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)N(Cc1cc(C[NH2+]CCF)ccc1Cl)C1CC1 ZINC000082155118 562740442 /nfs/dbraw/zinc/74/04/42/562740442.db2.gz WDOFCYNBUSYUMQ-JGCGQSQUSA-N 2 2 623.169 4.881 1 0 KJAFLP CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000082155129 562740446 /nfs/dbraw/zinc/74/04/46/562740446.db2.gz DCQWHFJLWKMKOP-MGBGTMOVSA-N 2 2 619.206 4.974 1 0 KJAFLP CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c1 ZINC000082155131 562740437 /nfs/dbraw/zinc/74/04/37/562740437.db2.gz JUKPSQTVBRUWHE-MGBGTMOVSA-N 2 2 649.232 4.982 1 0 KJAFLP C[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000082157230 562740854 /nfs/dbraw/zinc/74/08/54/562740854.db2.gz BMMVCHZVKTWTSY-JGCGQSQUSA-N 2 2 605.179 4.584 1 0 KJAFLP C[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c1 ZINC000082157233 562740864 /nfs/dbraw/zinc/74/08/64/562740864.db2.gz DGUDTLMPZUGTKR-JGCGQSQUSA-N 2 2 635.205 4.592 1 0 KJAFLP C[NH+](C)CCCNc1nc(NCc2ccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)cc2)c2ccccc2[nH+]1 ZINC000084586663 562743431 /nfs/dbraw/zinc/74/34/31/562743431.db2.gz PISIDYIMJYUTHL-UHFFFAOYSA-N 3 2 566.754 4.605 1 0 KJAFLP [NH3+][C@@H](CC(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1cc(F)c(F)cc1F ZINC000084690994 562749758 /nfs/dbraw/zinc/74/97/58/562749758.db2.gz WHSWXRARWQGRHT-JOCHJYFZSA-N 2 2 503.515 4.576 1 0 KJAFLP CCOC(=O)c1ccc(C[NH+]2CCC(Nc3nc(Nc4c(C)cc(C)cc4C)nc(NC)[nH+]3)CC2)cc1 ZINC000084714263 562750951 /nfs/dbraw/zinc/75/09/51/562750951.db2.gz ITMOSFPQCLAWOF-UHFFFAOYSA-N 2 2 503.651 4.835 1 0 KJAFLP CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3[C@H](CN3C(=O)C=CC3=O)c3cc[nH+]c(N)c3)C(=O)O/C4=C\C[C@H](C)C[NH2+]C)[C@@H]21 ZINC000085571205 565145303 /nfs/dbraw/zinc/14/53/03/565145303.db2.gz VDUMNIOENVPMPZ-RJRIYUBLSA-N 2 2 638.765 4.629 1 0 biogenic,in-vitro KJAFLP C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2cc(N)[nH+]cc2CC(=O)N2C[C@H](C[NH2+]C)[C@H]2CCC(C)C)Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594649 291853573 /nfs/dbraw/zinc/85/35/73/291853573.db2.gz HDOPBXYIAOMAMZ-FEKLVXTCSA-N 2 2 644.813 5.000 1 0 biogenic,in-vitro KJAFLP C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c3c2O[C@@]1(C)[C@H]1Cc2c[nH+]c(N)cc2CC2=C1C(=CC2)c1c(N)[nH+]ccc1C3 ZINC000085595199 565152921 /nfs/dbraw/zinc/15/29/21/565152921.db2.gz XEILKZRZQJNWBC-SPEVLVPCSA-N 2 2 660.727 4.620 1 0 biogenic,in-vitro KJAFLP C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(Cc3cc[nH+]c(N)c3)c2O[C@@]1(C)CCc1ccc(NCC)[nH+]c1 ZINC000085595223 565152767 /nfs/dbraw/zinc/15/27/67/565152767.db2.gz WEJXXCIEJAGNIH-GVPAPYLISA-N 2 2 614.699 4.590 1 0 biogenic,in-vitro KJAFLP C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(Cc3cc[nH+]c(N)c3)c2O[C@@]1(C)CCc1ccc(NCC)[nH+]c1 ZINC000085595223 565152763 /nfs/dbraw/zinc/15/27/63/565152763.db2.gz WEJXXCIEJAGNIH-GVPAPYLISA-N 2 2 614.699 4.590 1 0 biogenic,in-vitro KJAFLP C/C=C(\C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(Cc3cc[nH+]c(N)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1)C1CCCC1 ZINC000085595245 565152633 /nfs/dbraw/zinc/15/26/33/565152633.db2.gz GHOGIXPHFHBSSM-HYSGIXQSSA-N 2 2 640.737 4.911 1 0 biogenic,in-vitro KJAFLP C/C=C(\C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(Cc3cc[nH+]c(N)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1)C1CCCC1 ZINC000085595245 565152629 /nfs/dbraw/zinc/15/26/29/565152629.db2.gz GHOGIXPHFHBSSM-HYSGIXQSSA-N 2 2 640.737 4.911 1 0 biogenic,in-vitro KJAFLP CCCCC[C@@H](OC(C)=O)C1([C@@H](OC(=O)C[NH2+]C)C2(Cc3ccc(O)c(OC)c3)CC[NH2+]CC2)CCCC1 ZINC000085596821 291861809 /nfs/dbraw/zinc/86/18/09/291861809.db2.gz FXLAZMHXRLNKBP-IAPPQJPRSA-N 2 2 532.722 4.517 1 0 biogenic,in-vitro KJAFLP [NH2+]=C(N[C@H](CCCC(O)=CC(=O)CCc1ccc(O)c(OC2CCCC2)c1)CCn1cc[nH+]c1)NC1CCCCC1 ZINC000085626989 560068966 /nfs/dbraw/zinc/06/89/66/560068966.db2.gz BQLAFGHRTPGYDQ-AREMUKBSSA-O 2 2 566.767 4.866 1 0 biogenic,in-vitro KJAFLP [NH2+]=C(N[C@H](CCCC(=O)C=C(O)CCc1ccc(O)c(OC2CCCC2)c1)CCn1cc[nH+]c1)NC1CCCCC1 ZINC000085626989 560068964 /nfs/dbraw/zinc/06/89/64/560068964.db2.gz BQLAFGHRTPGYDQ-AREMUKBSSA-O 2 2 566.767 4.866 1 0 biogenic,in-vitro KJAFLP COc1ccc(C(OC[C@@H](O)C[NH2+]CC[NH2+]C[C@H](O)COC(c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1OC ZINC000095536892 562754241 /nfs/dbraw/zinc/75/42/41/562754241.db2.gz XXQXUBKYRLYZLD-ACHIHNKUSA-N 2 2 780.912 4.569 1 0 KJAFLP O=C(NCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095539836 562755321 /nfs/dbraw/zinc/75/53/21/562755321.db2.gz KFMHLMMVJDAMBL-QRMJEQFMSA-N 2 2 732.970 4.974 1 0 KJAFLP O=C(NCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095539836 562755320 /nfs/dbraw/zinc/75/53/20/562755320.db2.gz KFMHLMMVJDAMBL-QRMJEQFMSA-N 2 2 732.970 4.974 1 0 KJAFLP O=C(NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095540105 562755499 /nfs/dbraw/zinc/75/54/99/562755499.db2.gz OIXDQFQFMZDLEJ-XGOPIZSISA-N 2 2 718.943 4.584 1 0 KJAFLP O=C(NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095540105 562755498 /nfs/dbraw/zinc/75/54/98/562755498.db2.gz OIXDQFQFMZDLEJ-XGOPIZSISA-N 2 2 718.943 4.584 1 0 KJAFLP O=C(NCC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C=C1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[NH+](CC5CC5)CC[C@]41[C@@]3(O)C2)OCc1ccccc1 ZINC000095542355 562756682 /nfs/dbraw/zinc/75/66/82/562756682.db2.gz KMSCRBUSFBVFLD-COTKPVQASA-N 2 2 782.894 4.770 1 0 KJAFLP O=C(NCC[N@H+]1CC[C@@]23c4c5c(O)ccc4C=C1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[NH+](CC5CC5)CC[C@]41[C@@]3(O)C2)OCc1ccccc1 ZINC000095542355 562756681 /nfs/dbraw/zinc/75/66/81/562756681.db2.gz KMSCRBUSFBVFLD-COTKPVQASA-N 2 2 782.894 4.770 1 0 KJAFLP O=C(NCC[NH+]1CC[C@@]23c4c5c(O)ccc4C=C1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2)OCc1ccccc1 ZINC000095542355 562756680 /nfs/dbraw/zinc/75/66/80/562756680.db2.gz KMSCRBUSFBVFLD-COTKPVQASA-N 2 2 782.894 4.770 1 0 KJAFLP O=C(NCC[NH+]1CC[C@@]23c4c5c(O)ccc4C=C1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@H+](CC5CC5)CC[C@]41[C@@]3(O)C2)OCc1ccccc1 ZINC000095542355 562756679 /nfs/dbraw/zinc/75/66/79/562756679.db2.gz KMSCRBUSFBVFLD-COTKPVQASA-N 2 2 782.894 4.770 1 0 KJAFLP CC(c1cc(Br)c(OC[C@H](O)CN2CC[NH+](C)CC2)c(Br)c1)c1cc(Br)c(OC[C@H](O)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000095544795 562757854 /nfs/dbraw/zinc/75/78/54/562757854.db2.gz MCOBOFAYSPSCNR-DNQXCXABSA-N 2 2 842.306 4.863 1 0 KJAFLP CC(c1cc(Br)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c(Br)c1)c1cc(Br)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000095544797 562757870 /nfs/dbraw/zinc/75/78/70/562757870.db2.gz MCOBOFAYSPSCNR-ZEQRLZLVSA-N 2 2 842.306 4.863 1 0 KJAFLP CC[NH+](CC)CCC[NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nc2ccccc2c(NCCC[NH+](C)C)n1 ZINC000095558537 562762474 /nfs/dbraw/zinc/76/24/74/562762474.db2.gz PRJJLCZUGXXQOP-UHFFFAOYSA-N 3 2 526.129 4.574 1 0 KJAFLP Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3n[nH]cc3c2)nn1 ZINC000095573374 562769691 /nfs/dbraw/zinc/76/96/91/562769691.db2.gz KOIRZEHURFRWOY-UHFFFAOYSA-N 2 2 658.733 4.997 1 0 KJAFLP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCC[NH2+]CCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095574608 562769999 /nfs/dbraw/zinc/76/99/99/562769999.db2.gz MJOASWYRHSZQRG-AIMWIADMSA-N 3 2 549.800 4.929 1 0 KJAFLP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCC[NH2+]CCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095574608 562769998 /nfs/dbraw/zinc/76/99/98/562769998.db2.gz MJOASWYRHSZQRG-AIMWIADMSA-N 3 2 549.800 4.929 1 0 KJAFLP Cc1ccc(C(=O)Nc2ccc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3n[nH]cc3c2)nn1 ZINC000095579620 562771628 /nfs/dbraw/zinc/77/16/28/562771628.db2.gz YDHFUBCYRHHRFM-PSWAGMNNSA-N 2 2 601.637 4.779 1 0 KJAFLP Cc1ccc(C(=O)Nc2ccc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3n[nH]cc3c2)nn1 ZINC000095579620 562771627 /nfs/dbraw/zinc/77/16/27/562771627.db2.gz YDHFUBCYRHHRFM-PSWAGMNNSA-N 2 2 601.637 4.779 1 0 KJAFLP Cc1ccc(C(=O)Nc2ccc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3n[nH]cc3c2)nn1 ZINC000095579620 562771626 /nfs/dbraw/zinc/77/16/26/562771626.db2.gz YDHFUBCYRHHRFM-PSWAGMNNSA-N 2 2 601.637 4.779 1 0 KJAFLP Cc1ccc(C(=O)Nc2ccc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3n[nH]cc3c2)nn1 ZINC000095579620 562771625 /nfs/dbraw/zinc/77/16/25/562771625.db2.gz YDHFUBCYRHHRFM-PSWAGMNNSA-N 2 2 601.637 4.779 1 0 KJAFLP CCC1=CC2C[NH+](C1)CCc1c3cc(O)ccc3[nH]c1C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C34CC[N@H+]3CC=CC(CC)(C34)C(OC(C)=O)C1(O)C(=O)OC)C2 ZINC000095579874 562771735 /nfs/dbraw/zinc/77/17/35/562771735.db2.gz HMWKIBTUCVHUOZ-AGJHSZMPSA-N 2 2 808.973 4.502 1 0 KJAFLP CCC1=CC2C[NH+](C1)CCc1c3cc(O)ccc3[nH]c1C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C34CC[N@@H+]3CC=CC(CC)(C34)C(OC(C)=O)C1(O)C(=O)OC)C2 ZINC000095579874 562771734 /nfs/dbraw/zinc/77/17/34/562771734.db2.gz HMWKIBTUCVHUOZ-AGJHSZMPSA-N 2 2 808.973 4.502 1 0 KJAFLP CCC1=CC2C[N@@H+](C1)CCc1c3cc(O)ccc3[nH]c1C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C34CC[NH+]3CC=CC(CC)(C34)C(OC(C)=O)C1(O)C(=O)OC)C2 ZINC000095579874 562771733 /nfs/dbraw/zinc/77/17/33/562771733.db2.gz HMWKIBTUCVHUOZ-AGJHSZMPSA-N 2 2 808.973 4.502 1 0 KJAFLP CCC1=CC2C[N@H+](C1)CCc1c3cc(O)ccc3[nH]c1C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C34CC[NH+]3CC=CC(CC)(C34)C(OC(C)=O)C1(O)C(=O)OC)C2 ZINC000095579874 562771732 /nfs/dbraw/zinc/77/17/32/562771732.db2.gz HMWKIBTUCVHUOZ-AGJHSZMPSA-N 2 2 808.973 4.502 1 0 KJAFLP CCCC[C@@H](OC(=O)C[NH+](C)C)c1ccccc1C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)c1ccccc1[C@@H](CCCC)OC(=O)C[NH+](C)C ZINC000095582795 562772735 /nfs/dbraw/zinc/77/27/35/562772735.db2.gz PPODRSAPIAYVDB-HZYZZZOTSA-N 2 2 696.838 4.907 1 0 KJAFLP CCCC[C@H](OC(=O)C[NH+](C)C)c1ccccc1C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)c1ccccc1[C@H](CCCC)OC(=O)C[NH+](C)C ZINC000095585070 562773461 /nfs/dbraw/zinc/77/34/61/562773461.db2.gz PPODRSAPIAYVDB-SLHIGMGZSA-N 2 2 696.838 4.907 1 0 KJAFLP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1cncn1)Cc1cc(F)ccc1F)CCc1cc2c(cc1-3)OCO2 ZINC000095596467 562777019 /nfs/dbraw/zinc/77/70/19/562777019.db2.gz JRJSLCZFIAOCRC-UHFFFAOYSA-N 2 2 586.619 4.539 1 0 KJAFLP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cncn1)Cc1cc(F)ccc1F)CCc1cc2c(cc1-3)OCO2 ZINC000095596467 562777018 /nfs/dbraw/zinc/77/70/18/562777018.db2.gz JRJSLCZFIAOCRC-UHFFFAOYSA-N 2 2 586.619 4.539 1 0 KJAFLP COc1ccccc1C1CCN(C(=O)N[C@@H](Cc2cc(Br)c(O)c(Br)c2)C(=O)N[C@H](CCCC[NH3+])C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000095606711 562782317 /nfs/dbraw/zinc/78/23/17/562782317.db2.gz CVPWNBYUSUFFDB-ZWXJPIIXSA-N 2 2 829.635 4.784 1 0 KJAFLP CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(=O)NCc1ccccc1 ZINC000095612336 562785395 /nfs/dbraw/zinc/78/53/95/562785395.db2.gz RWVVRACXMDSPQB-HPVVNECPSA-N 2 2 779.979 4.602 1 0 KJAFLP CC(C)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2)Oc2c(-c3nnn(-c4cc[nH+]cc4)n3)cccc2C1=O ZINC000095665591 562788157 /nfs/dbraw/zinc/78/81/57/562788157.db2.gz GUEUMSYNFPNKSP-RXFWQSSRSA-N 2 2 546.075 4.757 1 0 KJAFLP CC(C)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2)Oc2c(-c3nnn(-c4cc[nH+]cc4)n3)cccc2C1=O ZINC000095665591 562788156 /nfs/dbraw/zinc/78/81/56/562788156.db2.gz GUEUMSYNFPNKSP-RXFWQSSRSA-N 2 2 546.075 4.757 1 0 KJAFLP COc1ccc2c(c1)[nH]c1c2C2(CC[NH+](Cc3ccccn3)CC2)C[N@@H+](Cc2cccc(OC)c2)[C@H]1CO ZINC000095867527 562789854 /nfs/dbraw/zinc/78/98/54/562789854.db2.gz DUCDUSXLFYQTSN-NDEPHWFRSA-N 2 2 512.654 4.663 1 0 KJAFLP COc1ccc2c(c1)[nH]c1c2C2(CC[NH+](Cc3ccccn3)CC2)C[N@H+](Cc2cccc(OC)c2)[C@H]1CO ZINC000095867527 562789853 /nfs/dbraw/zinc/78/98/53/562789853.db2.gz DUCDUSXLFYQTSN-NDEPHWFRSA-N 2 2 512.654 4.663 1 0 KJAFLP C[NH+](C)CCNC(=O)c1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CC[NH+]3CCOCC3)sc2c1 ZINC000096258252 562792822 /nfs/dbraw/zinc/79/28/22/562792822.db2.gz WPOWJOWVTRSEKV-UHFFFAOYSA-N 2 2 614.816 4.976 1 0 KJAFLP COc1cc(=O)oc2cc(OCCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096271826 562793872 /nfs/dbraw/zinc/79/38/72/562793872.db2.gz XYMNXQZLQMQWHO-UHFFFAOYSA-N 2 2 570.690 4.644 1 0 KJAFLP O=C(CN1CC[NH+](CCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000096271841 562793925 /nfs/dbraw/zinc/79/39/25/562793925.db2.gz HRESYZKNQSWLGX-UHFFFAOYSA-N 2 2 540.664 4.635 1 0 KJAFLP Cc1cc(=O)oc2cc(OCCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096271843 562793918 /nfs/dbraw/zinc/79/39/18/562793918.db2.gz JIZMVVINYFLRDM-UHFFFAOYSA-N 2 2 554.691 4.944 1 0 KJAFLP COc1cc2c(cc1OCCC[NH+]1CCCC1)[nH+]c(N1CCC(F)(F)CC1)nc2NC1CC[NH+](C2CC2)CC1 ZINC000096285774 562795925 /nfs/dbraw/zinc/79/59/25/562795925.db2.gz JQGOVQUEQSAZSW-UHFFFAOYSA-N 3 2 544.691 4.777 1 0 KJAFLP COc1cc2c(cc1OCCC[NH+]1CCCC1)[nH+]c(N1CC(F)(F)C(F)(F)C1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000096285778 562795917 /nfs/dbraw/zinc/79/59/17/562795917.db2.gz PILLSKXLPRVYLP-UHFFFAOYSA-N 3 2 568.660 4.878 1 0 KJAFLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCc2ccccc2)CC1 ZINC000096306984 562796334 /nfs/dbraw/zinc/79/63/34/562796334.db2.gz AGLVBYARDIXEPC-NNYJQHGCSA-N 2 2 602.223 4.752 1 0 KJAFLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCc2ccccc2)CC1 ZINC000096306985 562796337 /nfs/dbraw/zinc/79/63/37/562796337.db2.gz AGLVBYARDIXEPC-HUDILLDJSA-N 2 2 602.223 4.752 1 0 KJAFLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCc2ccccc2)CC1 ZINC000096306986 562796332 /nfs/dbraw/zinc/79/63/32/562796332.db2.gz AGLVBYARDIXEPC-WXALXNGTSA-N 2 2 602.223 4.752 1 0 KJAFLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCc2ccccc2)CC1 ZINC000096306987 562796322 /nfs/dbraw/zinc/79/63/22/562796322.db2.gz AGLVBYARDIXEPC-VXFSRXNSSA-N 2 2 602.223 4.752 1 0 KJAFLP CN1c2ccc(OC(=O)NCCCCCCCCCCC[NH+]3CCOCC3)cc2[C@]2(C)CC[N@H+](C)[C@H]12 ZINC000096900190 562796728 /nfs/dbraw/zinc/79/67/28/562796728.db2.gz LKBQETKGWDWQQB-PXJZQJOASA-N 2 2 500.728 4.987 1 0 KJAFLP CN1c2ccc(OC(=O)NCCCCCCCCCCC[NH+]3CCOCC3)cc2[C@]2(C)CC[N@@H+](C)[C@H]12 ZINC000096900190 562796727 /nfs/dbraw/zinc/79/67/27/562796727.db2.gz LKBQETKGWDWQQB-PXJZQJOASA-N 2 2 500.728 4.987 1 0 KJAFLP c1cn(CCOc2ccc(-c3oc4nccc(NCCN5CC[NH2+]CC5)c4c3-c3ccccc3)cc2)c[nH+]1 ZINC000096900557 562796921 /nfs/dbraw/zinc/79/69/21/562796921.db2.gz WYNDNQIGGGWABE-UHFFFAOYSA-N 2 2 508.626 4.754 1 0 KJAFLP COc1ccc(C[C@@H]2c3cc(OCCCC[NH+](C)C)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913938 562800513 /nfs/dbraw/zinc/80/05/13/562800513.db2.gz RGNUTFRGYPVCNT-GDLZYMKVSA-N 2 2 575.750 4.891 1 0 KJAFLP COc1ccc(C[C@@H]2c3cc(OCCCC[NH+](C)C)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913938 562800512 /nfs/dbraw/zinc/80/05/12/562800512.db2.gz RGNUTFRGYPVCNT-GDLZYMKVSA-N 2 2 575.750 4.891 1 0 KJAFLP COc1ccc(C[C@H]2c3cc(OCCCC[NH+](C)C)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913939 562800591 /nfs/dbraw/zinc/80/05/91/562800591.db2.gz RGNUTFRGYPVCNT-LJAQVGFWSA-N 2 2 575.750 4.891 1 0 KJAFLP COc1ccc(C[C@H]2c3cc(OCCCC[NH+](C)C)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913939 562800590 /nfs/dbraw/zinc/80/05/90/562800590.db2.gz RGNUTFRGYPVCNT-LJAQVGFWSA-N 2 2 575.750 4.891 1 0 KJAFLP COc1ccc([C@@H]([NH2+]CCCNc2cc[nH+]c3cc(Cl)ccc23)c2nnnn2C(C)(C)C)cc1OC ZINC000096915638 562800990 /nfs/dbraw/zinc/80/09/90/562800990.db2.gz HTERIXKVQSVTRV-XMMPIXPASA-N 2 2 510.042 4.828 1 0 KJAFLP COc1ccc([C@H]([NH2+]CCCNc2cc[nH+]c3cc(Cl)ccc23)c2nnnn2C(C)(C)C)cc1OC ZINC000096915639 562801001 /nfs/dbraw/zinc/80/10/01/562801001.db2.gz HTERIXKVQSVTRV-DEOSSOPVSA-N 2 2 510.042 4.828 1 0 KJAFLP O=c1oc2cc(OCC[NH+]3CCOCC3)ccc2c(-c2ccc(OCC[NH+]3CCOCC3)cc2)c1-c1ccccc1 ZINC000096922046 562801661 /nfs/dbraw/zinc/80/16/61/562801661.db2.gz BUBZTLNPGATOHL-UHFFFAOYSA-N 2 2 556.659 4.549 1 0 KJAFLP C[NH+]1CCN(c2cc3nc(/C=C/c4ccc(NC(=O)C[NH+]5CCCCC5)cc4)n(-c4ccccc4)c(=O)c3cc2F)CC1 ZINC000096938706 562804534 /nfs/dbraw/zinc/80/45/34/562804534.db2.gz KCQSFNDLWOJIJZ-NTCAYCPXSA-N 2 2 580.708 4.871 1 0 KJAFLP CC[NH+](CC)CC(=O)Nc1ccc(/C=C/c2nc3cc(N4CC[NH+](C)CC4)c(F)cc3c(=O)n2-c2ccccc2)cc1 ZINC000096938707 562804567 /nfs/dbraw/zinc/80/45/67/562804567.db2.gz NBZWENHAJQHYJQ-DTQAZKPQSA-N 2 2 568.697 4.727 1 0 KJAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)O[C@H]1CC[C@@](C)([NH3+])CC1 ZINC000101284308 581093231 /nfs/dbraw/zinc/09/32/31/581093231.db2.gz HVJQYIDZJSEHCZ-VUGZHAMKSA-N 2 2 538.656 4.768 1 0 KJAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)O[C@H]1CC[C@@](C)([NH3+])CC1 ZINC000101284311 581093265 /nfs/dbraw/zinc/09/32/65/581093265.db2.gz HVJQYIDZJSEHCZ-XFHDSQNASA-N 2 2 538.656 4.768 1 0 KJAFLP CC(=O)N[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)[nH+]c3c1CCN(C(=O)C(C)(C)C)C3)C2)c1cccc(F)c1 ZINC000101391205 562810518 /nfs/dbraw/zinc/81/05/18/562810518.db2.gz OALXFTNKIGJWPY-QUMGSSFMSA-N 2 2 523.697 4.697 1 0 KJAFLP CC(=O)N[C@@H](CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)[nH+]c3c1CCN(C(=O)C(C)(C)C)C3)C2)c1cccc(F)c1 ZINC000101391205 562810517 /nfs/dbraw/zinc/81/05/17/562810517.db2.gz OALXFTNKIGJWPY-QUMGSSFMSA-N 2 2 523.697 4.697 1 0 KJAFLP C[NH+](C)CCN1CC[NH+](CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696561 562811952 /nfs/dbraw/zinc/81/19/52/562811952.db2.gz IKVNZLLAPCVOSZ-UHFFFAOYSA-N 2 2 625.795 4.782 1 0 KJAFLP O=c1c(=O)c(NCCNc2cc[nH+]c3cc(Cl)ccc23)c1NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000101702650 562812000 /nfs/dbraw/zinc/81/20/00/562812000.db2.gz CUGRVLOBVZKQTL-UHFFFAOYSA-N 2 2 521.408 4.734 1 0 KJAFLP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000101794495 562812142 /nfs/dbraw/zinc/81/21/42/562812142.db2.gz YELQSMXPCPMVON-RHKQRFKBSA-N 2 2 541.740 4.520 1 0 KJAFLP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCC[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000101794495 562812141 /nfs/dbraw/zinc/81/21/41/562812141.db2.gz YELQSMXPCPMVON-RHKQRFKBSA-N 2 2 541.740 4.520 1 0 KJAFLP CC(=O)N[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)[nH+]c3c1CN(C(=O)OC(C)C)CC3)C2)c1ccccc1 ZINC000102809025 562813323 /nfs/dbraw/zinc/81/33/23/562813323.db2.gz PFYVMDZHMCKVLF-QUMGSSFMSA-N 2 2 507.679 4.530 1 0 KJAFLP CC(=O)N[C@@H](CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)[nH+]c3c1CN(C(=O)OC(C)C)CC3)C2)c1ccccc1 ZINC000102809025 562813322 /nfs/dbraw/zinc/81/33/22/562813322.db2.gz PFYVMDZHMCKVLF-QUMGSSFMSA-N 2 2 507.679 4.530 1 0 KJAFLP C[NH+](C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2[nH]c[nH+]c2cc1F ZINC000103229651 562818063 /nfs/dbraw/zinc/81/80/63/562818063.db2.gz VZILEKYEAUMIJT-UHFFFAOYSA-N 2 2 531.519 4.664 1 0 KJAFLP C[NH+](C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc(N)[nH+]c2ccccc12 ZINC000103230382 562818202 /nfs/dbraw/zinc/81/82/02/562818202.db2.gz WPFFXQXGRZJNFO-UHFFFAOYSA-N 2 2 539.567 4.779 1 0 KJAFLP O=c1oc2ccccc2c(-c2ccc(OCC[NH+]3CCOCC3)cc2)c1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000103267536 562822420 /nfs/dbraw/zinc/82/24/20/562822420.db2.gz QHTLIPBYJXWBQT-UHFFFAOYSA-N 2 2 556.659 4.549 1 0 KJAFLP O=c1oc2cc(OCC[NH+]3CCOCC3)ccc2c(-c2ccccc2)c1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000103267548 562822493 /nfs/dbraw/zinc/82/24/93/562822493.db2.gz SJGPJQJQMZVBGL-UHFFFAOYSA-N 2 2 556.659 4.549 1 0 KJAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4cnc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1O ZINC000114038280 562827329 /nfs/dbraw/zinc/82/73/29/562827329.db2.gz UGQSPIQXOULGOY-UHFFFAOYSA-N 2 2 531.016 4.805 1 0 KJAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N1CCN(CC[NH+]2CCCC2)C(=O)C1)C1CC1 ZINC000114038539 562827335 /nfs/dbraw/zinc/82/73/35/562827335.db2.gz HUHMEPJCOTYIEL-UHFFFAOYSA-N 2 2 537.035 4.737 1 0 KJAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1 ZINC000114977772 562828550 /nfs/dbraw/zinc/82/85/50/562828550.db2.gz LCGAEBCCQAHCNV-WRENHGGMSA-N 2 2 571.747 4.764 1 0 KJAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1 ZINC000114977772 562828549 /nfs/dbraw/zinc/82/85/49/562828549.db2.gz LCGAEBCCQAHCNV-WRENHGGMSA-N 2 2 571.747 4.764 1 0 KJAFLP CC(C)(C)OC(=O)NCCC(=O)N(CCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)CC1CC1 ZINC000118906466 562830800 /nfs/dbraw/zinc/83/08/00/562830800.db2.gz ZAEIRASFNNYJAG-UHFFFAOYSA-N 2 2 587.209 4.851 1 0 KJAFLP CC(C)(C)OC(=O)NCCC(=O)N(CCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)CC1CC1 ZINC000118906466 562830799 /nfs/dbraw/zinc/83/07/99/562830799.db2.gz ZAEIRASFNNYJAG-UHFFFAOYSA-N 2 2 587.209 4.851 1 0 KJAFLP O=C(NCC(F)(F)F)Nc1cccc(-c2c[nH+]c3cc(-c4nnc(CC[NH+]5CCCC5)s4)ccn32)c1 ZINC000139659345 562832696 /nfs/dbraw/zinc/83/26/96/562832696.db2.gz APWOQHLTDQEBPY-UHFFFAOYSA-N 2 2 515.565 4.842 1 0 KJAFLP CCN(C(=O)c1ccc(CNc2nc(NCCN3CC[NH+](C)CC3)nc(N3CCc4ccccc4C3)[nH+]2)cc1)c1cccc(C)c1 ZINC000140413467 562833062 /nfs/dbraw/zinc/83/30/62/562833062.db2.gz GYJBRTKAEHLDQW-UHFFFAOYSA-N 2 2 619.818 4.681 1 0 KJAFLP C[N@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-n5cc[nH+]c5)cc4)c3)sc2C1 ZINC000141657100 562833659 /nfs/dbraw/zinc/83/36/59/562833659.db2.gz MZXWCBSZRZEHQT-XMMPIXPASA-N 2 2 512.639 4.546 1 0 KJAFLP C[N@@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-n5cc[nH+]c5)cc4)c3)sc2C1 ZINC000141657100 562833658 /nfs/dbraw/zinc/83/36/58/562833658.db2.gz MZXWCBSZRZEHQT-XMMPIXPASA-N 2 2 512.639 4.546 1 0 KJAFLP C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-n5cc[nH+]c5)cc4)c3)sc2C1 ZINC000141659520 562833650 /nfs/dbraw/zinc/83/36/50/562833650.db2.gz CABQJBSWWUWPMM-AZGAKELHSA-N 2 2 540.693 4.977 1 0 KJAFLP O=C(Nc1nc2c(s1)C[C@@H]([NH+]1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000141661154 562833735 /nfs/dbraw/zinc/83/37/35/562833735.db2.gz NZEIULMPCIMAOK-XTEPFMGCSA-N 2 2 582.730 4.748 1 0 KJAFLP C[NH+](C)CCC[NH+]1CCN(c2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)CC1 ZINC000143552507 562835173 /nfs/dbraw/zinc/83/51/73/562835173.db2.gz IOHUMBCAUSNQHH-UHFFFAOYSA-N 2 2 602.995 4.687 1 0 KJAFLP C[NH+]1CCN(C(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)c(F)cc43)[C@H]2c2cccc(Cl)c2)CC1 ZINC000144385078 562836182 /nfs/dbraw/zinc/83/61/82/562836182.db2.gz SIOMNZQLKLUVPT-PVIBPIFHSA-N 2 2 547.502 4.657 1 0 KJAFLP C[NH+]1CCC(Nc2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)c[nH+]c4c3)nn2)CC1 ZINC000147233148 562839235 /nfs/dbraw/zinc/83/92/35/562839235.db2.gz QXEIBRXBXUDRBY-UHFFFAOYSA-N 2 2 524.551 4.648 1 0 KJAFLP C[NH+](C)C1CCN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)c[nH+]c4c3)nn2)CC1 ZINC000147518322 562839428 /nfs/dbraw/zinc/83/94/28/562839428.db2.gz WQBYXCPGODMRBD-UHFFFAOYSA-N 2 2 538.578 4.673 1 0 KJAFLP COc1cccc(F)c1C[N@H+]1C[C@H](C)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)C1 ZINC000147807646 562839656 /nfs/dbraw/zinc/83/96/56/562839656.db2.gz ASIWKZTWSNQNMM-WIYYLYMNSA-N 2 2 512.589 4.666 1 0 KJAFLP COc1cccc(F)c1C[N@@H+]1C[C@H](C)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)C1 ZINC000147807646 562839655 /nfs/dbraw/zinc/83/96/55/562839655.db2.gz ASIWKZTWSNQNMM-WIYYLYMNSA-N 2 2 512.589 4.666 1 0 KJAFLP COc1cccc(F)c1C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)C[C@H](C)C1 ZINC000147808355 562839641 /nfs/dbraw/zinc/83/96/41/562839641.db2.gz ASIWKZTWSNQNMM-GHTZIAJQSA-N 2 2 512.589 4.666 1 0 KJAFLP COc1cccc(F)c1C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)C[C@H](C)C1 ZINC000147808355 562839640 /nfs/dbraw/zinc/83/96/40/562839640.db2.gz ASIWKZTWSNQNMM-GHTZIAJQSA-N 2 2 512.589 4.666 1 0 KJAFLP Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C4CC[NH+](C)CC4)CC3)nc12 ZINC000148028018 562839909 /nfs/dbraw/zinc/83/99/09/562839909.db2.gz JSXYOKSMAYRQCL-UHFFFAOYSA-N 2 2 620.684 4.541 1 0 KJAFLP Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C4CC[NH+](C)CC4)CC3)nc12 ZINC000148046598 562839938 /nfs/dbraw/zinc/83/99/38/562839938.db2.gz SYBOGNVDCRAONH-UHFFFAOYSA-N 2 2 620.684 4.541 1 0 KJAFLP Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5c(N)nc(N6CC[NH+](C)CC6)nc45)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000148052019 562840050 /nfs/dbraw/zinc/84/00/50/562840050.db2.gz ZAQQBZRRNFYEPS-UHFFFAOYSA-N 2 2 617.640 4.571 1 0 KJAFLP Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[NH+](CCC[NH+]4CCCC4)CC3)nc21 ZINC000148315345 562840992 /nfs/dbraw/zinc/84/09/92/562840992.db2.gz MQZZCLDVYACMRW-UHFFFAOYSA-N 2 2 598.756 4.618 1 0 KJAFLP COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](C6CC[NH+](C)CC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000148349751 562841173 /nfs/dbraw/zinc/84/11/73/562841173.db2.gz YKLYSAGZQIXPCV-UHFFFAOYSA-N 2 2 635.695 4.968 1 0 KJAFLP Cc1ccc(C(=O)Nc2cc[nH+]c(C(C)(C)C)c2)cc1Nc1ncnc2cnc(NC3CC[NH+](C)CC3)nc21 ZINC000148372949 562841211 /nfs/dbraw/zinc/84/12/11/562841211.db2.gz FABCQQWVRNTQHE-UHFFFAOYSA-N 2 2 525.661 4.923 1 0 KJAFLP COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc3[nH]c[nH+]c3c2)n1 ZINC000148953823 562842062 /nfs/dbraw/zinc/84/20/62/562842062.db2.gz PMMAXDRXDKOVKW-UHFFFAOYSA-N 2 2 541.534 4.740 1 0 KJAFLP COCCCN1CC[NH+]([C@H]2CC[C@@H](n3nc(-c4ccc5nc(Cc6ccccc6OC)[nH]c5c4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000149185883 562842392 /nfs/dbraw/zinc/84/23/92/562842392.db2.gz JHZWEYCWMPNVEC-DIVCQZSQSA-N 2 2 609.779 4.689 1 0 KJAFLP [NH3+]CC1CCN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)c[nH+]c4c3)cn2)CC1 ZINC000150336613 562843066 /nfs/dbraw/zinc/84/30/66/562843066.db2.gz PVQIXAPQDZSQLL-UHFFFAOYSA-N 2 2 523.563 4.922 1 0 KJAFLP [NH3+]Cc1cc(NC(=O)NCC(F)(F)F)cc(-c2c[nH+]c3cc(-c4ccnc(C(F)(F)F)n4)ccn32)c1 ZINC000150337525 562843072 /nfs/dbraw/zinc/84/30/72/562843072.db2.gz WYVWWVCLAZRGJB-UHFFFAOYSA-N 2 2 509.414 4.620 1 0 KJAFLP [NH3+]CCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2CC(c3ccccc3)=NC2=O)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000150363619 562843332 /nfs/dbraw/zinc/84/33/32/562843332.db2.gz VMVAWVMWSRXHRT-SAIUNTKASA-N 2 2 881.671 4.802 1 0 KJAFLP COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(N5CC[NH+](C6CC[NH+](C)CC6)CC5)nc34)c2)cc1C(F)(F)F ZINC000165254462 562849936 /nfs/dbraw/zinc/84/99/36/562849936.db2.gz LQYXEGUUVQFZKV-UHFFFAOYSA-N 2 2 650.710 4.550 1 0 KJAFLP C[NH+]1CCC([NH+]2CCN(c3nc(N)c4ncnc(Nc5cc(C(=O)Nc6cccc(C(F)(F)F)c6)ccc5Cl)c4n3)CC2)CC1 ZINC000165254957 562849920 /nfs/dbraw/zinc/84/99/20/562849920.db2.gz XZSWJGAGBXSEMP-UHFFFAOYSA-N 2 2 641.102 4.886 1 0 KJAFLP C[NH+]1CCC([NH+]2CCN(c3nc(N)c4ncnc(Nc5cc(C(=O)Nc6cccc(C(F)(F)F)c6)ccc5Br)c4n3)CC2)CC1 ZINC000165255168 562849913 /nfs/dbraw/zinc/84/99/13/562849913.db2.gz PDUMTEQBZNDPMV-UHFFFAOYSA-N 2 2 685.553 4.995 1 0 KJAFLP Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C4CC[NH+](C)CC4)CC3)nc12 ZINC000166166057 562850338 /nfs/dbraw/zinc/85/03/38/562850338.db2.gz WJMYTVSWHGBDES-UHFFFAOYSA-N 2 2 620.684 4.541 1 0 KJAFLP Nc1[nH+]cnc2c1cnn2C1CC[NH+](Cc2ccc(-c3nc4ccnn4cc3-c3ccccc3)cc2)CC1 ZINC000167000485 562850583 /nfs/dbraw/zinc/85/05/83/562850583.db2.gz APLFHZQSXVXXNC-UHFFFAOYSA-N 2 2 501.598 4.622 1 0 KJAFLP C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CC[NH+](C)CC1 ZINC000169290805 562851806 /nfs/dbraw/zinc/85/18/06/562851806.db2.gz ZCDDSAFCVJQEDO-ISKFKSNPSA-N 2 2 541.705 4.774 1 0 KJAFLP C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CC[NH+](C)CC1 ZINC000169290805 562851805 /nfs/dbraw/zinc/85/18/05/562851805.db2.gz ZCDDSAFCVJQEDO-ISKFKSNPSA-N 2 2 541.705 4.774 1 0 KJAFLP C[NH+]1CC[C@@H](Oc2ccc(C[N@H+]3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000169292781 562852051 /nfs/dbraw/zinc/85/20/51/562852051.db2.gz XESAEBNNDALGPZ-QZTJIDSGSA-N 2 2 527.290 4.843 1 0 KJAFLP C[NH+]1CC[C@@H](Oc2ccc(C[N@@H+]3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000169292781 562852050 /nfs/dbraw/zinc/85/20/50/562852050.db2.gz XESAEBNNDALGPZ-QZTJIDSGSA-N 2 2 527.290 4.843 1 0 KJAFLP C[N@H+]1CC[C@@H](Oc2ccc(C[NH+]3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000169292781 562852049 /nfs/dbraw/zinc/85/20/49/562852049.db2.gz XESAEBNNDALGPZ-QZTJIDSGSA-N 2 2 527.290 4.843 1 0 KJAFLP C[N@@H+]1CC[C@@H](Oc2ccc(C[NH+]3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000169292781 562852048 /nfs/dbraw/zinc/85/20/48/562852048.db2.gz XESAEBNNDALGPZ-QZTJIDSGSA-N 2 2 527.290 4.843 1 0 KJAFLP CCOC(=O)N1CC[NH+](CCC(=O)Nc2cccc(Oc3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3Cl)c2)CC1 ZINC000169310615 562854909 /nfs/dbraw/zinc/85/49/09/562854909.db2.gz YSRRCEKEYXILID-UHFFFAOYSA-N 2 2 653.184 4.529 1 0 KJAFLP CC[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N3CCOCC3)n2)CC1 ZINC000169323837 562857147 /nfs/dbraw/zinc/85/71/47/562857147.db2.gz FPQVFOFVTQNGOK-UHFFFAOYSA-N 2 2 546.079 4.539 1 0 KJAFLP C[NH+](C)C1CC[NH+](C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(-c4cccc(Cl)c4)cn32)C2CCCCC2)CC1 ZINC000169325508 562857629 /nfs/dbraw/zinc/85/76/29/562857629.db2.gz UVAKDTIXORBEOH-RRPNLBNLSA-N 2 2 540.152 4.574 1 0 KJAFLP COc1ccccc1N1CC[NH+](CCn2c(=O)[nH]c3c4cc(NC(=O)CCC[N@@H+](C)Cc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169327739 562858153 /nfs/dbraw/zinc/85/81/53/562858153.db2.gz FKPDOXLGSMSHFA-UHFFFAOYSA-N 2 2 640.810 4.586 1 0 KJAFLP COc1ccccc1N1CC[NH+](CCn2c(=O)[nH]c3c4cc(NC(=O)CCC[N@H+](C)Cc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169327739 562858152 /nfs/dbraw/zinc/85/81/52/562858152.db2.gz FKPDOXLGSMSHFA-UHFFFAOYSA-N 2 2 640.810 4.586 1 0 KJAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5s4)[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000169330990 562858803 /nfs/dbraw/zinc/85/88/03/562858803.db2.gz NSOPRCNUTOWNNJ-MMZDRVSHSA-N 2 2 588.774 4.923 1 0 KJAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5s4)[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000169330990 562858802 /nfs/dbraw/zinc/85/88/02/562858802.db2.gz NSOPRCNUTOWNNJ-MMZDRVSHSA-N 2 2 588.774 4.923 1 0 KJAFLP CCCCCS(=O)(=O)c1ccc(NC(=[NH2+])NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=[NH2+])Nc2ccc(S(=O)(=O)CCCCC)cc2)cc1 ZINC000169337237 562859979 /nfs/dbraw/zinc/85/99/79/562859979.db2.gz IAQDNFKGABGJRJ-UHFFFAOYSA-N 4 2 704.968 4.796 1 0 KJAFLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000169358807 562864029 /nfs/dbraw/zinc/86/40/29/562864029.db2.gz JGMQOJSHZALBEB-SVBPBHIXSA-N 2 2 634.769 4.544 1 0 KJAFLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000169358807 562864028 /nfs/dbraw/zinc/86/40/28/562864028.db2.gz JGMQOJSHZALBEB-SVBPBHIXSA-N 2 2 634.769 4.544 1 0 KJAFLP CC(C)(O)C(=O)Nc1cccc(-c2ccc3nc(-c4ccc[nH+]c4N)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1 ZINC000169697636 562866524 /nfs/dbraw/zinc/86/65/24/562866524.db2.gz GRDNCQFNSUBTSA-UHFFFAOYSA-N 2 2 533.636 4.779 1 0 KJAFLP Nc1[nH+]cccc1-c1nc2ccc(Nc3ccc(N4CCOCC4)cc3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1 ZINC000169697650 562866502 /nfs/dbraw/zinc/86/65/02/562866502.db2.gz FHTMZOQTQFTMNQ-UHFFFAOYSA-N 2 2 532.652 4.983 1 0 KJAFLP O=C(Cc1cccc(-n2cc[nH+]c2)c1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(-n4cc[nH+]c4)c3)s2)s1 ZINC000169698257 562867081 /nfs/dbraw/zinc/86/70/81/562867081.db2.gz KIPNDNXSLPUEOJ-UHFFFAOYSA-N 2 2 624.756 4.689 1 0 KJAFLP COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702384 562868316 /nfs/dbraw/zinc/86/83/16/562868316.db2.gz UTBUPUYLDNALRI-HSZRJFAPSA-N 2 2 627.193 4.947 1 0 KJAFLP COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702384 562868315 /nfs/dbraw/zinc/86/83/15/562868315.db2.gz UTBUPUYLDNALRI-HSZRJFAPSA-N 2 2 627.193 4.947 1 0 KJAFLP [NH3+]C1CCN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)c[nH+]c4c3)cn2)CC1 ZINC000169704769 562869132 /nfs/dbraw/zinc/86/91/32/562869132.db2.gz UHRJRPSIMMHFBU-UHFFFAOYSA-N 2 2 509.536 4.675 1 0 KJAFLP CCN(C(=O)c1ccc(CNc2nc(NCCN3CC[NH+](C)CC3)nc(N3CCc4cc(OC)c(OC)cc4C3)[nH+]2)cc1)c1cccc(C)c1 ZINC000198059730 562872637 /nfs/dbraw/zinc/87/26/37/562872637.db2.gz CDVZHXHORLPPIL-UHFFFAOYSA-N 2 2 679.870 4.698 1 0 KJAFLP c1ccc2c(c1)[nH+]c(NCc1ccc(C[NH2+]CCC[NH2+]C3CCCCC3)cc1)nc2NC1CC[NH2+]CC1 ZINC000200593012 562873364 /nfs/dbraw/zinc/87/33/64/562873364.db2.gz SHIKEDQVUTVKBS-UHFFFAOYSA-N 4 2 501.723 4.808 1 0 KJAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cnc(N2CC[NH2+]CC2)nc1)C1CC1 ZINC000203987866 562874302 /nfs/dbraw/zinc/87/43/02/562874302.db2.gz PZPZHHRRYKOANQ-UHFFFAOYSA-N 2 2 518.980 4.936 1 0 KJAFLP COc1cc(-c2nn([C@H]3CC[C@H]([NH+]4CCN(C)CC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)OCc1ccccc1 ZINC000253633952 562882149 /nfs/dbraw/zinc/88/21/49/562882149.db2.gz LGMDJFPPNVPECO-RQNOJGIXSA-N 2 2 570.698 4.564 1 0 KJAFLP COc1cc(-c2nn([C@H]3CC[C@H]([NH+]4CCN(C)CC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1cc2ccccc2o1 ZINC000253634472 562882206 /nfs/dbraw/zinc/88/22/06/562882206.db2.gz NYQWECLBSROSIH-YHBQERECSA-N 2 2 580.693 4.814 1 0 KJAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)O[C@H]1CC[C@@](C)([NH3+])CC1 ZINC000253673391 581093241 /nfs/dbraw/zinc/09/32/41/581093241.db2.gz HVJQYIDZJSEHCZ-BOGJOCPPSA-N 2 2 538.656 4.768 1 0 KJAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)O[C@H]1CC[C@@](C)([NH3+])CC1 ZINC000253673399 581093308 /nfs/dbraw/zinc/09/33/08/581093308.db2.gz HVJQYIDZJSEHCZ-PKIMSIDOSA-N 2 2 538.656 4.768 1 0 KJAFLP Nc1nc(-c2ccc(CC[NH+]3CCN(CCCC[NH+]4CCN(c5ccccc5Cl)CC4)CC3)cc2)cs1 ZINC000299831434 562885595 /nfs/dbraw/zinc/88/55/95/562885595.db2.gz IWMGZIFTTAPDTH-UHFFFAOYSA-N 2 2 539.193 4.808 1 0 KJAFLP CNc1nc(-c2ccc(CC[NH+]3CCN(CCC[NH+]4CCN(c5ccccc5Cl)CC4)CC3)cc2)cs1 ZINC000299835021 562886724 /nfs/dbraw/zinc/88/67/24/562886724.db2.gz VDHDNMNYXSXPRO-UHFFFAOYSA-N 2 2 539.193 4.878 1 0 KJAFLP CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3cccc(Cc4nccn4-c4cc[nH+]c(NC[C@H](C)O)n4)c3)cc2C(F)(F)F)CC1 ZINC000299838845 562887979 /nfs/dbraw/zinc/88/79/79/562887979.db2.gz OHUARHYNIFTPSL-QFIPXVFZSA-N 2 2 637.711 4.846 1 0 KJAFLP Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2)c(-c2cc(-c3ccccc3)n(CC[NH2+][C@@H]3CC[NH2+]C3)n2)c1 ZINC000299857454 562892213 /nfs/dbraw/zinc/89/22/13/562892213.db2.gz CXTWDHPMAXDZSA-HSZRJFAPSA-N 2 2 537.085 4.898 1 0 KJAFLP CN(CCNc1cc[nH+]c2cc(Cl)ccc12)CC[NH2+]Cc1cn(-c2ccnc3cc(Cl)ccc32)nn1 ZINC000299857516 562892228 /nfs/dbraw/zinc/89/22/28/562892228.db2.gz FHTNNIIWPLWJAH-UHFFFAOYSA-N 2 2 521.456 4.804 1 0 KJAFLP C[N@@H+](CCNCc1cn(-c2ccnc3cc(Cl)ccc32)nn1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000299857516 562892227 /nfs/dbraw/zinc/89/22/27/562892227.db2.gz FHTNNIIWPLWJAH-UHFFFAOYSA-N 2 2 521.456 4.804 1 0 KJAFLP C[N@H+](CCNCc1cn(-c2ccnc3cc(Cl)ccc32)nn1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000299857516 562892226 /nfs/dbraw/zinc/89/22/26/562892226.db2.gz FHTNNIIWPLWJAH-UHFFFAOYSA-N 2 2 521.456 4.804 1 0 KJAFLP Cc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)nc2)c(-c2cc(-c3ccccc3)n(CC[NH2+][C@@H]3CC[NH2+]C3)n2)c1 ZINC000299860411 562892956 /nfs/dbraw/zinc/89/29/56/562892956.db2.gz GPUOUDGRRDONEX-OAQYLSRUSA-N 2 2 571.625 4.659 1 0 KJAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1O ZINC000473179706 562903394 /nfs/dbraw/zinc/90/33/94/562903394.db2.gz BWAGCDGWJPWYOX-NYVOZVTQSA-N 2 2 523.077 4.898 1 0 KJAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1O ZINC000473179706 562903393 /nfs/dbraw/zinc/90/33/93/562903393.db2.gz BWAGCDGWJPWYOX-NYVOZVTQSA-N 3 2 523.077 4.898 1 0 KJAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1O ZINC000473179707 562903402 /nfs/dbraw/zinc/90/34/02/562903402.db2.gz BWAGCDGWJPWYOX-STZQEDGTSA-N 2 2 523.077 4.898 1 0 KJAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1O ZINC000473179707 562903401 /nfs/dbraw/zinc/90/34/01/562903401.db2.gz BWAGCDGWJPWYOX-STZQEDGTSA-N 3 2 523.077 4.898 1 0 KJAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CC[NH2+]CC2)CC1 ZINC000473179730 562903413 /nfs/dbraw/zinc/90/34/13/562903413.db2.gz NKOROMZQJXAGEO-XGAFWQRZSA-N 2 2 511.041 4.900 1 0 KJAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC000473183006 562903532 /nfs/dbraw/zinc/90/35/32/562903532.db2.gz HOQRVYVRASUREP-WGSAOQKQSA-N 2 2 529.468 4.940 1 0 KJAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000473183382 562903626 /nfs/dbraw/zinc/90/36/26/562903626.db2.gz WOARNLGCSKTFCX-DYLHXGEVSA-N 2 2 539.051 4.958 1 0 KJAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000473183382 562903625 /nfs/dbraw/zinc/90/36/25/562903625.db2.gz WOARNLGCSKTFCX-DYLHXGEVSA-N 2 2 539.051 4.958 1 0 KJAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000473183383 562903650 /nfs/dbraw/zinc/90/36/50/562903650.db2.gz WOARNLGCSKTFCX-XMERXJNXSA-N 2 2 539.051 4.958 1 0 KJAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000473183383 562903649 /nfs/dbraw/zinc/90/36/49/562903649.db2.gz WOARNLGCSKTFCX-XMERXJNXSA-N 2 2 539.051 4.958 1 0 KJAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000473197534 562903668 /nfs/dbraw/zinc/90/36/68/562903668.db2.gz ALANNRUBNGLOLE-KKXDTOCCSA-N 2 2 515.441 4.725 1 0 KJAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C(=O)NCC[NH+](C)C)CC1 ZINC000473197875 562903696 /nfs/dbraw/zinc/90/36/96/562903696.db2.gz JDYPYHYDYSTKGS-IRJFHVNHSA-N 2 2 527.040 4.673 1 0 KJAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000473198562 562903769 /nfs/dbraw/zinc/90/37/69/562903769.db2.gz OBRQKEMRUPQRBA-MHPIHPPYSA-N 2 2 527.040 4.847 1 0 KJAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000473198563 562903766 /nfs/dbraw/zinc/90/37/66/562903766.db2.gz OBRQKEMRUPQRBA-MPCDZSKCSA-N 2 2 527.040 4.847 1 0 KJAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000473199039 562903728 /nfs/dbraw/zinc/90/37/28/562903728.db2.gz WZRQIRXCUAPYSV-MHPIHPPYSA-N 2 2 525.024 4.616 1 0 KJAFLP CC(C)CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[NH+]2CCOCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000473214442 562903979 /nfs/dbraw/zinc/90/39/79/562903979.db2.gz WMMAOMZOXIRAAB-IUIQULDGSA-N 2 2 621.144 4.982 1 0 KJAFLP CCN(c1cc(-c2[nH+]ccn2C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473243974 562904774 /nfs/dbraw/zinc/90/47/74/562904774.db2.gz GVOQEUBNOYFOLH-RQNOJGIXSA-N 2 2 518.706 4.742 1 0 KJAFLP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-n5cc[nH+]c5)n4)cc32)c1C ZINC000653671267 562906159 /nfs/dbraw/zinc/90/61/59/562906159.db2.gz GWQSKSRFCYTEEU-STZFKDTASA-N 2 2 529.670 4.505 1 0 KJAFLP CCCc1[nH+]c2c(cc(C(=O)NCC[NH+]3CCCC3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653694202 562906964 /nfs/dbraw/zinc/90/69/64/562906964.db2.gz LOILLKMLEXWOPH-UHFFFAOYSA-N 2 2 591.720 4.604 1 0 KJAFLP CCCc1[nH+]c2c(cc(C(=O)NCC[NH+]3CCCCC3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653694216 562906926 /nfs/dbraw/zinc/90/69/26/562906926.db2.gz OILLZFKKZFXHHY-UHFFFAOYSA-N 2 2 605.747 4.994 1 0 KJAFLP C[NH+]1CCN(CC(=O)N2CCN(c3ccc(Nc4c(C(N)=O)c[nH+]c5ccc(-c6cnc7ccccc7c6)cc54)cc3C(F)(F)F)CC2)CC1 ZINC000653761883 562911367 /nfs/dbraw/zinc/91/13/67/562911367.db2.gz CEAFRZNOGGSIDV-UHFFFAOYSA-N 2 2 682.751 4.629 1 0 KJAFLP Cc1[nH+]c2cc(Nc3nc(Nc4ccc(F)cc4)nc(N4CC[NH+](C)CC4)n3)ccc2n1Cc1ccccc1 ZINC000653799722 562913377 /nfs/dbraw/zinc/91/33/77/562913377.db2.gz ZPJGCXRVXZJXCO-UHFFFAOYSA-N 2 2 523.620 4.956 1 0 KJAFLP CCc1nc(Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)c2ccc(N3CC[NH+](CC)CC3)cc2[nH+]1 ZINC000653850682 562915496 /nfs/dbraw/zinc/91/54/96/562915496.db2.gz JZADASHLALTDDI-UHFFFAOYSA-N 2 2 515.662 4.603 1 0 KJAFLP CCCc1nc(Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)c2ccc(N3CC[NH+](CC)CC3)cc2[nH+]1 ZINC000653850720 562915493 /nfs/dbraw/zinc/91/54/93/562915493.db2.gz ZUJFWAZLOHHIFQ-UHFFFAOYSA-N 2 2 529.689 4.993 1 0 KJAFLP CC(C)Cc1nn(C)c(=O)c2c1cn(Cc1cc(NCCCCC[NH3+])[nH+]c3ccccc13)c2SCCCO ZINC000653912100 562917726 /nfs/dbraw/zinc/91/77/26/562917726.db2.gz BKAOCYWXHJNRPN-UHFFFAOYSA-N 2 2 536.746 4.545 1 0 KJAFLP CCc1[nH+]c2ccc(C(=O)NCCCn3cc[nH+]c3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061930611 562703645 /nfs/dbraw/zinc/70/36/45/562703645.db2.gz UULUZUDNXGQPCA-UHFFFAOYSA-N 2 2 509.452 4.702 3 0 KJAFLP CC(C)C[C@H]([NH2+]C1(C(=O)NC2CCCCC2)CC[NH+](C)CC1)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000205714230 562875708 /nfs/dbraw/zinc/87/57/08/562875708.db2.gz YVQSTNDLDJYQHG-PMERELPUSA-N 2 2 532.773 4.852 3 0 KJAFLP