smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1ccc(-c2ccc(C(=O)Nc3ccc(C4=[NH+]CCN4)cc3)cc2)cc1 ZINC000001687841 561679315 /nfs/dbraw/zinc/67/93/15/561679315.db2.gz OAEBINJAEPJDEA-UHFFFAOYSA-N 2 0 528.616 4.558 1 0 KJAFRP NC(=[NH2+])c1cccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(C(N)=[NH2+])c2)c1 ZINC000003815857 561683046 /nfs/dbraw/zinc/68/30/46/561683046.db2.gz DMUWRNDTNGVXSO-UHFFFAOYSA-N 2 0 530.632 4.767 1 0 KJAFRP CN(Cc1ccc(CN(C)S(=O)(=O)Cc2ccc3[nH]cc(CC[NH+](C)C)c3c2)cc1)S(=O)(=O)Cc1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC000003918914 561685415 /nfs/dbraw/zinc/68/54/15/561685415.db2.gz GICSJGBGXBQUQQ-UHFFFAOYSA-N 2 0 692.952 4.781 1 0 in-vitro KJAFRP O=C(CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)NCCCCC[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000003940090 561689136 /nfs/dbraw/zinc/68/91/36/561689136.db2.gz FUIVIZCFQUCDAW-XIFFEERXSA-N 2 0 655.796 4.913 1 0 KJAFRP O=C1c2cccc3c4occc4cc(c32)C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)c2cccc3c4occc4cc(c32)C1=O ZINC000003948704 561690100 /nfs/dbraw/zinc/69/01/00/561690100.db2.gz ICOQVXDCQYIEGP-UHFFFAOYSA-N 2 0 600.631 4.947 1 0 KJAFRP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000003964107 561691248 /nfs/dbraw/zinc/69/12/48/561691248.db2.gz HLMWNBIZKQIDFC-BDYUSTAISA-N 2 0 550.769 4.767 1 0 in-vivo KJAFRP CC(C)CCn1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCC4=[NH+]CCCN4)n(CCC(C)C)c3)cc2)cc1C(=O)NCCC1=[NH+]CCCN1 ZINC000003965792 561691545 /nfs/dbraw/zinc/69/15/45/561691545.db2.gz SFMLAJZCJMTHDP-UHFFFAOYSA-N 2 0 740.954 4.910 1 0 KJAFRP CNC(=[NH2+])CCNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCC(=[NH2+])NC)n(CCC(C)C)c3)cc2)cn1CCC(C)C ZINC000003965794 561691546 /nfs/dbraw/zinc/69/15/46/561691546.db2.gz HUGIPKNLZQDVGP-UHFFFAOYSA-N 2 0 688.878 4.520 1 0 KJAFRP COc1ccc2c(c1)C[C@H](C[NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000003966195 561691726 /nfs/dbraw/zinc/69/17/26/561691726.db2.gz ITJLZSOZZWEOJL-RUZDIDTESA-N 2 0 535.754 4.624 1 0 in-vivo KJAFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)C34CCC(C(=O)Nc5ccc(C(=O)Nc6ccc[n+](C)c6)cc5)(CC3)CC4)cc2)c1 ZINC000005437716 561695990 /nfs/dbraw/zinc/69/59/90/561695990.db2.gz WWIVYJLQNDBJED-UHFFFAOYSA-P 2 0 618.738 4.758 1 0 KJAFRP O=C(NCCC[NH+](CCCC[N@@H+](CCCNC(=O)C(F)(F)F)Cc1ccccc1)Cc1ccccc1)C(F)(F)F ZINC000005834397 561698931 /nfs/dbraw/zinc/69/89/31/561698931.db2.gz UKFOLUNVLQWPHJ-UHFFFAOYSA-N 2 0 574.610 4.908 1 0 KJAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+]CCCC[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000006009987 561701788 /nfs/dbraw/zinc/70/17/88/561701788.db2.gz SBPCLIKVFRXJSF-UHFFFAOYSA-N 2 0 562.670 4.625 1 0 KJAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+]CCCC[NH2+]CCC[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000006009989 561701792 /nfs/dbraw/zinc/70/17/92/561701792.db2.gz IZFDJZOAUGVPFT-UHFFFAOYSA-N 3 0 619.766 4.605 1 0 KJAFRP Cc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439467 561712324 /nfs/dbraw/zinc/71/23/24/561712324.db2.gz FYSXLFCIJKLFFD-MUUNZHRXSA-N 2 0 505.728 4.676 1 0 KJAFRP Cc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439470 561712382 /nfs/dbraw/zinc/71/23/82/561712382.db2.gz FYSXLFCIJKLFFD-NDEPHWFRSA-N 2 0 505.728 4.676 1 0 KJAFRP COc1ccc2c(c1)C[C@@H](C[NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439499 561712370 /nfs/dbraw/zinc/71/23/70/561712370.db2.gz ITJLZSOZZWEOJL-VWLOTQADSA-N 2 0 535.754 4.624 1 0 in-vivo KJAFRP CCc1nc2c(ccc(OC3CCN(C(C)=[NH2+])CC3)c2N(C)C)n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000013441134 561712720 /nfs/dbraw/zinc/71/27/20/561712720.db2.gz YKLCRAZHXKMIBV-UHFFFAOYSA-N 2 0 511.674 4.991 1 0 KJAFRP CCc1nc2c(ccc(OC3CCN(C(C)=[NH2+])CC3)c2NC(C)=O)n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000013441136 561712759 /nfs/dbraw/zinc/71/27/59/561712759.db2.gz IMFOAYUDZBQOFF-UHFFFAOYSA-N 2 0 525.657 4.883 1 0 KJAFRP COc1ccc(C(=O)NCC2CC[NH+](C3CC[NH2+]CC3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643465 561722402 /nfs/dbraw/zinc/72/24/02/561722402.db2.gz WVPKJUIQXLMIID-UHFFFAOYSA-N 2 0 520.501 4.817 1 0 KJAFRP O=C(NCc1ccccc1)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)NCc4ccccc4)C3)cc2)C1 ZINC000013726220 561725042 /nfs/dbraw/zinc/72/50/42/561725042.db2.gz ZDPYMPPMCCZBQQ-ROJLCIKYSA-N 2 0 538.736 4.743 1 0 KJAFRP O=C(NCc1ccccc1)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)NCc4ccccc4)C3)cc2)C1 ZINC000013726224 561725023 /nfs/dbraw/zinc/72/50/23/561725023.db2.gz ZDPYMPPMCCZBQQ-MEKGRNQZSA-N 2 0 538.736 4.743 1 0 KJAFRP c1cc2c(N3CC[NH+](Cc4ccccc4)CC3)nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)nc3n2c1 ZINC000013762462 561728154 /nfs/dbraw/zinc/72/81/54/561728154.db2.gz DEMZYMHKNNMIGU-UHFFFAOYSA-N 2 0 517.681 4.527 1 0 KJAFRP C[NH+]1CCC2(COc3ccc(NC(=O)NCC[NH+]4CCC(c5c[nH]c6cc(F)ccc65)CC4)cc32)CC1 ZINC000013806253 561731356 /nfs/dbraw/zinc/73/13/56/561731356.db2.gz HCDXKCGDMXPSKS-UHFFFAOYSA-N 2 0 505.638 4.664 1 0 KJAFRP O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCC[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000013836736 561734319 /nfs/dbraw/zinc/73/43/19/561734319.db2.gz QONNPOKXOAUWKJ-UHFFFAOYSA-N 3 0 527.757 4.892 1 0 KJAFRP CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCc1c[n+](CCCNC(N)=[NH2+])cn1C ZINC000014715155 561739999 /nfs/dbraw/zinc/73/99/99/561739999.db2.gz PIIGMTHEAJODFF-LJPVGTDHSA-O 2 0 511.779 4.990 1 0 KJAFRP CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)F)c(OCC[NH+](C)C)c4)[nH+]c3c2)ccn1 ZINC000014965242 561749427 /nfs/dbraw/zinc/74/94/27/561749427.db2.gz ZKSUUBLMUIKQJD-UHFFFAOYSA-N 2 0 514.508 4.813 1 0 KJAFRP Cc1cccc(C[NH+]2CCC(CNC(=S)Nc3ccc4nc(N5CC[NH+](C)CC5)cc(C)c4c3)CC2)c1 ZINC000020153850 561758506 /nfs/dbraw/zinc/75/85/06/561758506.db2.gz YLHANRBXSJDDKY-UHFFFAOYSA-N 2 0 516.759 4.802 1 0 KJAFRP CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000022452801 561759478 /nfs/dbraw/zinc/75/94/78/561759478.db2.gz AITZMTQUXXOZQF-WIHCDAFUSA-N 2 0 620.213 4.968 1 0 KJAFRP COc1ccc2[nH+]ccc(NCCCN3CC[NH+](CCCNc4cc[nH+]c5ccc(OC)cc45)CC3)c2c1 ZINC000022859515 561759556 /nfs/dbraw/zinc/75/95/56/561759556.db2.gz QAEHNFILBBDKPA-UHFFFAOYSA-N 3 0 514.674 4.722 1 0 KJAFRP CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000023249193 561761496 /nfs/dbraw/zinc/76/14/96/561761496.db2.gz AITZMTQUXXOZQF-DSPMFFIESA-N 2 0 620.213 4.968 1 0 KJAFRP CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000023249194 561761424 /nfs/dbraw/zinc/76/14/24/561761424.db2.gz AITZMTQUXXOZQF-WRVRXEDSSA-N 2 0 620.213 4.968 1 0 KJAFRP CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000023249195 561761365 /nfs/dbraw/zinc/76/13/65/561761365.db2.gz AITZMTQUXXOZQF-SLGZMBILSA-N 2 0 620.213 4.968 1 0 KJAFRP c1ccc(-c2c(-c3ccc(OCC[NH+]4CCCC4)cc3)oc3nccc(NCCN4CC[NH2+]CC4)c32)cc1 ZINC000023359509 561762199 /nfs/dbraw/zinc/76/21/99/561762199.db2.gz JPVQIIJQJZQGID-UHFFFAOYSA-N 2 0 511.670 4.954 1 0 KJAFRP O=C1c2cccc3c4ccoc4cc(c32)C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)c2cccc3c4ccoc4cc(c32)C1=O ZINC000026014337 561766157 /nfs/dbraw/zinc/76/61/57/561766157.db2.gz VPVSIEXBSKBNBQ-UHFFFAOYSA-N 2 0 600.631 4.947 1 0 KJAFRP C[C@H](NC(=O)[C@@H](CCCC[NH3+])NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)[NH3+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026382532 561783616 /nfs/dbraw/zinc/78/36/16/561783616.db2.gz JXRMINGXQAAJHB-IQGXZWDMSA-N 2 0 716.776 4.997 1 0 KJAFRP C[C@H](NC(=O)[C@@H](CCCC[NH3+])NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(C(N)[NH3+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026382536 561783614 /nfs/dbraw/zinc/78/36/14/561783614.db2.gz JXRMINGXQAAJHB-SVAJZEFYSA-N 2 0 716.776 4.997 1 0 KJAFRP NC(=[NH2+])c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026389287 561785327 /nfs/dbraw/zinc/78/53/27/561785327.db2.gz ZMJACAIHZLNXRU-OWHBQTKESA-N 2 0 639.693 4.868 1 0 KJAFRP NC(=[NH2+])c1ccc([C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026392133 561786043 /nfs/dbraw/zinc/78/60/43/561786043.db2.gz TXEWHUFNRCOZSL-WSZLSEGOSA-N 2 0 625.666 4.998 1 0 KJAFRP NC(=[NH2+])c1ccc([C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026392139 561786022 /nfs/dbraw/zinc/78/60/22/561786022.db2.gz TXEWHUFNRCOZSL-NGCAANIMSA-N 2 0 625.666 4.998 1 0 KJAFRP O=C(CCCc1c[nH]c2ccccc12)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)CCCc1c[nH]c2ccccc12 ZINC000026394729 561786571 /nfs/dbraw/zinc/78/65/71/561786571.db2.gz WVNZVMMVQYOIFK-UHFFFAOYSA-N 2 0 572.798 4.967 1 0 KJAFRP O=C(NCCC[NH2+]CCCC[NH2+]CCCNC(=O)c1cnc2cc(C(F)(F)F)ccc2c1O)c1cnc2cc(C(F)(F)F)ccc2c1O ZINC000026395281 561786688 /nfs/dbraw/zinc/78/66/88/561786688.db2.gz KROMWPUSKUAGBQ-UHFFFAOYSA-N 2 0 680.650 4.719 1 0 KJAFRP O=C(Cc1c[nH]c2ccc(Br)cc12)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000026401916 561788611 /nfs/dbraw/zinc/78/86/11/561788611.db2.gz PVPRCQOYXLHSFL-UHFFFAOYSA-N 2 0 674.482 4.931 1 0 KJAFRP [NH3+]CCCN1c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2C(c2ccccc2)=N[C@H](C[NH3+])C1=O ZINC000026485026 561792242 /nfs/dbraw/zinc/79/22/42/561792242.db2.gz UWZPGFRYKMNMDN-SSEXGKCCSA-N 2 0 517.677 4.754 1 0 KJAFRP [NH3+]CCCN1c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2C(c2ccccc2)=N[C@@H](C[NH3+])C1=O ZINC000026485034 561792426 /nfs/dbraw/zinc/79/24/26/561792426.db2.gz UWZPGFRYKMNMDN-PMERELPUSA-N 2 0 517.677 4.754 1 0 KJAFRP [NH3+]CCCC[C@H](C(=O)NCc1ccc(C[NH3+])cc1)n1cccc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000026490380 561793163 /nfs/dbraw/zinc/79/31/63/561793163.db2.gz SACDCLOKTWFPQB-XZWHSSHBSA-N 2 0 537.708 4.647 1 0 KJAFRP [NH3+]CCCC[C@H](C(=O)NCc1ccc(C[NH3+])cc1)n1cccc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000026490387 561793149 /nfs/dbraw/zinc/79/31/49/561793149.db2.gz SACDCLOKTWFPQB-LOYHVIPDSA-N 2 0 537.708 4.647 1 0 KJAFRP Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCCCCCC[NH3+])c4Cl)cn3C)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000026577594 561801862 /nfs/dbraw/zinc/80/18/62/561801862.db2.gz OOTULQGFFRXLJV-UHFFFAOYSA-N 2 0 742.351 4.572 1 0 KJAFRP Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(C(=O)[C@H]([NH3+])c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026848185 561826909 /nfs/dbraw/zinc/82/69/09/561826909.db2.gz AKWFEANKAWGNIH-XDFJSJKPSA-N 2 0 636.624 4.917 1 0 KJAFRP Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(C(=O)[C@@H]([NH3+])c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026848802 561826881 /nfs/dbraw/zinc/82/68/81/561826881.db2.gz AKWFEANKAWGNIH-CDZUIXILSA-N 2 0 636.624 4.917 1 0 KJAFRP Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(C(=O)[C@H]([NH3+])Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026849991 561827065 /nfs/dbraw/zinc/82/70/65/561827065.db2.gz NOGCECXKCJDXDN-ZWXJPIIXSA-N 2 0 650.651 4.787 1 0 KJAFRP Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(C(=O)[C@@H]([NH3+])Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026850844 561827305 /nfs/dbraw/zinc/82/73/05/561827305.db2.gz NOGCECXKCJDXDN-ACHIHNKUSA-N 2 0 650.651 4.787 1 0 KJAFRP CCCCC(=[NH2+])NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000026850917 561827321 /nfs/dbraw/zinc/82/73/21/561827321.db2.gz UAIUAJRUOCAUGH-RVLOQZQWSA-N 2 0 540.708 4.872 1 0 KJAFRP CC(C)CC(=[NH2+])NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000026954090 561829023 /nfs/dbraw/zinc/82/90/23/561829023.db2.gz LXBNXXBURIRXNG-RVLOQZQWSA-N 2 0 540.708 4.728 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=S)NCCCN3CC[NH+](C4CCCCC4)CC3)c2)C1C(=O)OC ZINC000027079093 561834713 /nfs/dbraw/zinc/83/47/13/561834713.db2.gz QCNFVFRZRPUYAO-SVNRFNMRSA-N 2 0 583.799 4.735 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCCN3CC[NH+](C4CCCCC4)CC3)c2)C1C(=O)OC ZINC000027090231 561837126 /nfs/dbraw/zinc/83/71/26/561837126.db2.gz BRCOHFWXLLNYRS-NPAJZZOTSA-N 2 0 567.731 4.570 1 0 KJAFRP COc1c(-c2c3ccc[nH]c-3c(N[C@@H](C)CCC[NH3+])c(=O)c2OC)c2ccc[nH]c-2c(N[C@@H](C)CCC[NH3+])c1=O ZINC000027182190 561841901 /nfs/dbraw/zinc/84/19/01/561841901.db2.gz WAZDGMLPMIMBCJ-ROUUACIJSA-N 2 0 548.688 4.957 1 0 KJAFRP COc1c(-c2c3ccc[nH]c-3c(N[C@@H](C)CCC[NH3+])c(=O)c2OC)c2ccc[nH]c-2c(N[C@H](C)CCC[NH3+])c1=O ZINC000027182195 561841904 /nfs/dbraw/zinc/84/19/04/561841904.db2.gz WAZDGMLPMIMBCJ-HDICACEKSA-N 2 0 548.688 4.957 1 0 KJAFRP COc1c(-c2c3ccc[nH]c-3c(N[C@H](C)CCC[NH3+])c(=O)c2OC)c2ccc[nH]c-2c(N[C@H](C)CCC[NH3+])c1=O ZINC000027182205 561841902 /nfs/dbraw/zinc/84/19/02/561841902.db2.gz WAZDGMLPMIMBCJ-QZTJIDSGSA-N 2 0 548.688 4.957 1 0 KJAFRP O=C(C[NH2+]C1CCCCC1)Nc1nc2cc3nc(NC(=O)C[NH2+]C4CCCCC4)sc3cc2s1 ZINC000027183895 561842155 /nfs/dbraw/zinc/84/21/55/561842155.db2.gz BFEQKMLZUGNDRU-UHFFFAOYSA-N 2 0 500.694 4.628 1 0 KJAFRP O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1nc2cc3nc(NC(=O)CN4CCC([NH+]5CCCCC5)CC4)sc3cc2s1 ZINC000027185618 561842525 /nfs/dbraw/zinc/84/25/25/561842525.db2.gz BVSBILOGXIHIPI-UHFFFAOYSA-N 2 0 638.908 4.684 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)c2)C1C(=O)OC ZINC000027212456 561847401 /nfs/dbraw/zinc/84/74/01/561847401.db2.gz VZZYDPJKIQLWEV-GTPRLXIXSA-N 2 0 575.710 4.832 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)c2)C1C(=O)OC ZINC000027212461 561847443 /nfs/dbraw/zinc/84/74/43/561847443.db2.gz VZZYDPJKIQLWEV-OOVLPZSHSA-N 2 0 575.710 4.832 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4O)CC3)c2)C1C(=O)OC ZINC000027212465 561847456 /nfs/dbraw/zinc/84/74/56/561847456.db2.gz GYPGZSMKIORLNT-GTPRLXIXSA-N 2 0 591.709 4.537 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4O)CC3)c2)C1C(=O)OC ZINC000027212469 561847485 /nfs/dbraw/zinc/84/74/85/561847485.db2.gz GYPGZSMKIORLNT-OOVLPZSHSA-N 2 0 591.709 4.537 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4cccc(O)c4)CC3)c2)C1C(=O)OC ZINC000027215921 561848393 /nfs/dbraw/zinc/84/83/93/561848393.db2.gz XBSMUCHEWPGGEU-GTPRLXIXSA-N 2 0 591.709 4.537 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4cccc(O)c4)CC3)c2)C1C(=O)OC ZINC000027215927 561848442 /nfs/dbraw/zinc/84/84/42/561848442.db2.gz XBSMUCHEWPGGEU-OOVLPZSHSA-N 2 0 591.709 4.537 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027300121 561848864 /nfs/dbraw/zinc/84/88/64/561848864.db2.gz YAOANSFSWFZPPC-ONLUTYIHSA-N 2 0 605.736 4.840 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027300129 561848872 /nfs/dbraw/zinc/84/88/72/561848872.db2.gz YAOANSFSWFZPPC-SKDBZILTSA-N 2 0 605.736 4.840 1 0 KJAFRP c1cc(CN2CCCSCCSCCC[NH2+]CC2)ccc1CN1CCCSCCSCCC[NH2+]CC1 ZINC000027310508 561850575 /nfs/dbraw/zinc/85/05/75/561850575.db2.gz JQNBFKZPAITYOF-UHFFFAOYSA-N 2 0 571.004 4.990 1 0 KJAFRP c1cc2cc(c1)C[NH2+]CCCN(Cc1ccc(CN3CCC[NH2+]Cc4cccc(c4)C[NH2+]CCC3)cc1)CCC[NH2+]C2 ZINC000027315728 561851523 /nfs/dbraw/zinc/85/15/23/561851523.db2.gz RDRZUVRTKMHMHU-UHFFFAOYSA-N 4 0 568.854 4.637 1 0 KJAFRP C[C@@H]1CCC[C@@H](C)[NH+]1CCCCCN1c2ccccc2O[C@H](c2cccc(C(=[NH2+])NN3CCOCC3)c2)C1=O ZINC000027331129 561854973 /nfs/dbraw/zinc/85/49/73/561854973.db2.gz BUTHBIKCCABUOZ-NDDXJGTKSA-N 2 0 533.717 4.749 1 0 KJAFRP C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@H](c2cccc(C(=[NH2+])NN3CCOCC3)c2)C1=O ZINC000027331133 561855029 /nfs/dbraw/zinc/85/50/29/561855029.db2.gz BUTHBIKCCABUOZ-UAABGXCFSA-N 2 0 533.717 4.749 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027411554 561856444 /nfs/dbraw/zinc/85/64/44/561856444.db2.gz HLZFFRNOPQUTAL-FULRKLNBSA-N 2 0 621.798 4.763 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027411560 561856403 /nfs/dbraw/zinc/85/64/03/561856403.db2.gz HLZFFRNOPQUTAL-XOSPKBLGSA-N 2 0 621.798 4.763 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027411566 561856413 /nfs/dbraw/zinc/85/64/13/561856413.db2.gz HLZFFRNOPQUTAL-APVDNHQMSA-N 2 0 621.798 4.763 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027411572 561856394 /nfs/dbraw/zinc/85/63/94/561856394.db2.gz HLZFFRNOPQUTAL-LLXHICIGSA-N 2 0 621.798 4.763 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413112 561856738 /nfs/dbraw/zinc/85/67/38/561856738.db2.gz OHEUJYJUVYPNKL-ZUVFJQHLSA-N 2 0 639.788 4.902 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413117 561856672 /nfs/dbraw/zinc/85/66/72/561856672.db2.gz OHEUJYJUVYPNKL-QZIZTPMKSA-N 2 0 639.788 4.902 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413122 561856657 /nfs/dbraw/zinc/85/66/57/561856657.db2.gz OHEUJYJUVYPNKL-GNNCHPBJSA-N 2 0 639.788 4.902 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413127 561856748 /nfs/dbraw/zinc/85/67/48/561856748.db2.gz OHEUJYJUVYPNKL-DICNJETBSA-N 2 0 639.788 4.902 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413940 561856836 /nfs/dbraw/zinc/85/68/36/561856836.db2.gz ZHAAUSHVCCUMFA-RJSONGRPSA-N 2 0 603.808 4.624 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413946 561856832 /nfs/dbraw/zinc/85/68/32/561856832.db2.gz ZHAAUSHVCCUMFA-AHCWXFLVSA-N 2 0 603.808 4.624 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415277 561857061 /nfs/dbraw/zinc/85/70/61/561857061.db2.gz KJDPZFINBIEQAX-SPFRTMBUSA-N 2 0 603.808 4.624 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415282 561857053 /nfs/dbraw/zinc/85/70/53/561857053.db2.gz KJDPZFINBIEQAX-OTEJJTPWSA-N 2 0 603.808 4.624 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415286 561857050 /nfs/dbraw/zinc/85/70/50/561857050.db2.gz KJDPZFINBIEQAX-ALMDLERYSA-N 2 0 603.808 4.624 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415292 561857072 /nfs/dbraw/zinc/85/70/72/561857072.db2.gz KJDPZFINBIEQAX-APPQYHDTSA-N 2 0 603.808 4.624 1 0 KJAFRP COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000027420743 561857693 /nfs/dbraw/zinc/85/76/93/561857693.db2.gz MDGYMVFSBKXGQB-MWKYWARRSA-N 2 0 633.834 4.633 1 0 KJAFRP COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000027420745 561857640 /nfs/dbraw/zinc/85/76/40/561857640.db2.gz MDGYMVFSBKXGQB-GYOFENNSSA-N 2 0 633.834 4.633 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421621 561857825 /nfs/dbraw/zinc/85/78/25/561857825.db2.gz ZDNLRYDGPXLQJI-BRBTZGCTSA-N 2 0 639.788 4.902 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421626 561857850 /nfs/dbraw/zinc/85/78/50/561857850.db2.gz ZDNLRYDGPXLQJI-CARQOULDSA-N 2 0 639.788 4.902 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421632 561857822 /nfs/dbraw/zinc/85/78/22/561857822.db2.gz ZDNLRYDGPXLQJI-LFTSXLRWSA-N 2 0 639.788 4.902 1 0 KJAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421637 561857853 /nfs/dbraw/zinc/85/78/53/561857853.db2.gz ZDNLRYDGPXLQJI-WMMPDGNWSA-N 2 0 639.788 4.902 1 0 KJAFRP COC(=O)c1ccccc1N1CC[NH+](CCCCCN2C(C)=[NH+]C(C)=C(C(=O)OC)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000027547444 561867081 /nfs/dbraw/zinc/86/70/81/561867081.db2.gz JYFJUOGHGPLWFO-GDLZYMKVSA-N 2 0 568.665 4.966 1 0 KJAFRP COC(=O)c1ccccc1N1CC[NH+](CCCCCN2C(C)=[NH+]C(C)=C(C(=O)OC)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000027547449 561867069 /nfs/dbraw/zinc/86/70/69/561867069.db2.gz JYFJUOGHGPLWFO-LJAQVGFWSA-N 2 0 568.665 4.966 1 0 KJAFRP COC(=O)C1(c2ccccc2)CC[NH+](CCCCCN2C(C)=[NH+]C(C)=C(C(N)=O)[C@@H]2c2ccc(F)cc2F)CC1 ZINC000027549296 561867646 /nfs/dbraw/zinc/86/76/46/561867646.db2.gz MFXXQERUKWXMIU-NDEPHWFRSA-N 2 0 552.666 4.876 1 0 KJAFRP COC(=O)C1(c2ccccc2)CC[NH+](CCCCCN2C(C)=[NH+]C(C)=C(C(N)=O)[C@H]2c2ccc(F)cc2F)CC1 ZINC000027549300 561867633 /nfs/dbraw/zinc/86/76/33/561867633.db2.gz MFXXQERUKWXMIU-MUUNZHRXSA-N 2 0 552.666 4.876 1 0 KJAFRP COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3C[NH2+]CCCCCC[NH3+])nc(N)c2cc1OC ZINC000027550475 561867726 /nfs/dbraw/zinc/86/77/26/561867726.db2.gz MGVLNZLBZKMKDD-UHFFFAOYSA-N 2 0 579.790 4.607 1 0 KJAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCC[C@H](C)C[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027552523 561868311 /nfs/dbraw/zinc/86/83/11/561868311.db2.gz BLFCXMMGSUUVCS-AFJIDDCJSA-N 2 0 567.681 4.524 1 0 KJAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCC[C@H](C)C[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027552526 561868333 /nfs/dbraw/zinc/86/83/33/561868333.db2.gz BLFCXMMGSUUVCS-WRONEBCDSA-N 2 0 567.681 4.524 1 0 KJAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCC[C@@H](C)C[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027552924 561868463 /nfs/dbraw/zinc/86/84/63/561868463.db2.gz BLFCXMMGSUUVCS-ACSYHNTCSA-N 2 0 567.681 4.524 1 0 KJAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCC[C@@H](C)C[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027552926 561868421 /nfs/dbraw/zinc/86/84/21/561868421.db2.gz BLFCXMMGSUUVCS-OLILMLBXSA-N 2 0 567.681 4.524 1 0 KJAFRP Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1[NH2+]C12CC3CC(CC(C3)C1)C2)[NH+](C)C ZINC000027631241 561873799 /nfs/dbraw/zinc/87/37/99/561873799.db2.gz OVDWIKNLVIYBHX-IMRFBZRSSA-N 2 0 501.715 4.951 1 0 KJAFRP Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1[NH2+]C12CC3CC(CC(C3)C1)C2)[NH+](C)C ZINC000027631246 561873759 /nfs/dbraw/zinc/87/37/59/561873759.db2.gz OVDWIKNLVIYBHX-IBVMXPETSA-N 2 0 501.715 4.951 1 0 KJAFRP CCC[NH+](CCCCCC[N@@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC000027649104 561876239 /nfs/dbraw/zinc/87/62/39/561876239.db2.gz XBMBHXSIWSUYDK-HHHXNRCGSA-N 2 0 529.791 4.863 1 0 KJAFRP CC(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000027856478 561886678 /nfs/dbraw/zinc/88/66/78/561886678.db2.gz KPTXIXFKQCUERL-RNPORBBMSA-N 2 0 614.828 4.860 1 0 KJAFRP CC(C)[NH2+]C[C@H](O)COc1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000027856486 561886681 /nfs/dbraw/zinc/88/66/81/561886681.db2.gz KPTXIXFKQCUERL-KYJUHHDHSA-N 2 0 614.828 4.860 1 0 KJAFRP CC(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000027856494 561886672 /nfs/dbraw/zinc/88/66/72/561886672.db2.gz KPTXIXFKQCUERL-LOYHVIPDSA-N 2 0 614.828 4.860 1 0 KJAFRP Cc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=[NH2+])n(CCC(C)C)c2)c(C)cc1C(=O)Nc1cc(C(=O)NCCC(N)=[NH2+])n(CCC(C)C)c1 ZINC000027898076 561890600 /nfs/dbraw/zinc/89/06/00/561890600.db2.gz BWGCQOQJEIKRDY-UHFFFAOYSA-N 2 0 688.878 4.615 1 0 KJAFRP COc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@H]4[C@@H](C2)[NH+](C)CC[C@]314)C[C@H]1[C@H]2Cc3ccc(OC)c4c3[C@@]1(CC[N@@H+]2C)[C@H]5O4 ZINC000027979029 561891387 /nfs/dbraw/zinc/89/13/87/561891387.db2.gz BOZJVDGQCWRTFI-NSHPJJRGSA-N 2 0 577.725 4.640 1 0 KJAFRP Cc1scc2c1N(C(=O)CN1CC[NH+](CCCCCCCCCC[NH3+])CC1)c1ccccc1NC2=O ZINC000027980971 561891648 /nfs/dbraw/zinc/89/16/48/561891648.db2.gz VUKZVSLUNFUKDS-UHFFFAOYSA-N 2 0 511.736 4.984 1 0 KJAFRP O=C1c2ccccc2C(=O)N1CCCC[n+]1ccc(CCCc2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000027983661 561891911 /nfs/dbraw/zinc/89/19/11/561891911.db2.gz DQBFYPYEOZRLHH-UHFFFAOYSA-N 2 0 602.735 4.590 1 0 KJAFRP CCOC(=O)CCC(=O)N(c1ccc2nc(C)n(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028013041 561896659 /nfs/dbraw/zinc/89/66/59/561896659.db2.gz VDNPLNQWHWITBZ-UHFFFAOYSA-N 2 0 581.721 4.968 1 0 KJAFRP CC(=[NH2+])N1CCC(Oc2ccc3cc(C(=O)N(C)C)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000028013956 561896959 /nfs/dbraw/zinc/89/69/59/561896959.db2.gz ARIHJQCCGOLEBN-UHFFFAOYSA-N 2 0 510.642 4.669 1 0 KJAFRP CC(=[NH2+])N1CCC(N(CCCC(=O)[O-])c2ccc3c(c2)[nH+]c(C)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000028017011 561897508 /nfs/dbraw/zinc/89/75/08/561897508.db2.gz IEMHVSUULYOXPT-UHFFFAOYSA-N 2 0 539.684 4.963 1 0 KJAFRP COC(=O)[C@@H](C)CN(c1ccc2c(c1)[nH+]c(C)n2Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028018628 561898021 /nfs/dbraw/zinc/89/80/21/561898021.db2.gz WHWVUIVBICTFFL-FQEVSTJZSA-N 3 0 553.711 4.907 1 0 KJAFRP CCOC(=O)CCC(=O)N(c1ccc2c(c1)nc(C)n2Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028022084 561898706 /nfs/dbraw/zinc/89/87/06/561898706.db2.gz MEWPKKDIYAHCHV-UHFFFAOYSA-N 2 0 581.721 4.968 1 0 KJAFRP COC(=O)[C@@H](C)CN(c1ccc2nc(C)n(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028022557 561898859 /nfs/dbraw/zinc/89/88/59/561898859.db2.gz NKIYBUFLKCGVNM-FQEVSTJZSA-N 2 0 553.711 4.907 1 0 KJAFRP CC(=[NH2+])N1CCC(N(C[C@H](C)C(=O)[O-])c2ccc3c(c2)[nH+]c(C)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000028087961 561899407 /nfs/dbraw/zinc/89/94/07/561899407.db2.gz QFVNCLWGZGECGE-IBGZPJMESA-N 2 0 539.684 4.819 1 0 KJAFRP c1cc(C[NH+]2CCC(C3=[NH+][C@@H]4CCCC[C@@H]4N3)CC2)ccc1C[NH+]1CCC(C2=[NH+][C@H]3CCCC[C@H]3N2)CC1 ZINC000028112163 561903242 /nfs/dbraw/zinc/90/32/42/561903242.db2.gz ZBDVDQWRUZXDGE-RLQUZOAZSA-N 4 0 516.778 4.736 1 0 KJAFRP c1cc(C[NH+]2CCC(C3=[NH+][C@@H]4CCCC[C@@H]4N3)CC2)ccc1C[NH+]1CCC(C2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000028112170 561903219 /nfs/dbraw/zinc/90/32/19/561903219.db2.gz ZBDVDQWRUZXDGE-CSBHBGLHSA-N 4 0 516.778 4.736 1 0 KJAFRP c1cc(C[NH+]2CCC(C3=[NH+][C@H]4CCCC[C@@H]4N3)CC2)ccc1C[NH+]1CCC(C2=[NH+][C@H]3CCCC[C@H]3N2)CC1 ZINC000028112178 561903284 /nfs/dbraw/zinc/90/32/84/561903284.db2.gz ZBDVDQWRUZXDGE-GCXHJFECSA-N 4 0 516.778 4.736 1 0 KJAFRP c1ccc(C[NH2+]CCN(CC[NH2+]C2C3CC4CC(C3)CC2C4)CC[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000028244746 561910726 /nfs/dbraw/zinc/91/07/26/561910726.db2.gz VACARVVDHUZUGR-UHFFFAOYSA-N 3 0 504.807 4.907 1 0 KJAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028252299 561911091 /nfs/dbraw/zinc/91/10/91/561911091.db2.gz SXFVDYOXRIRODN-PSWAGMNNSA-N 2 0 536.680 4.598 1 0 KJAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CC[NH2+][C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028252306 561911109 /nfs/dbraw/zinc/91/11/09/561911109.db2.gz SXFVDYOXRIRODN-ZEQRLZLVSA-N 2 0 536.680 4.598 1 0 KJAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@@H]([NH2+]CC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028252311 561911137 /nfs/dbraw/zinc/91/11/37/561911137.db2.gz SXFVDYOXRIRODN-DNQXCXABSA-N 2 0 536.680 4.598 1 0 KJAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028257867 561911774 /nfs/dbraw/zinc/91/17/74/561911774.db2.gz IODMQZIAQOJQSX-PLQXJYEYSA-N 2 0 550.707 4.988 1 0 KJAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCC[NH2+][C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028257874 561911737 /nfs/dbraw/zinc/91/17/37/561911737.db2.gz IODMQZIAQOJQSX-DQEYMECFSA-N 2 0 550.707 4.988 1 0 KJAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@@H]([NH2+]CCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028257880 561911750 /nfs/dbraw/zinc/91/17/50/561911750.db2.gz IODMQZIAQOJQSX-JWQCQUIFSA-N 2 0 550.707 4.988 1 0 KJAFRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(Cl)c1 ZINC000028340369 561914056 /nfs/dbraw/zinc/91/40/56/561914056.db2.gz NQDHQVMQBNKXIE-UHFFFAOYSA-N 2 0 628.283 4.984 1 0 KJAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCN1CCCN(CC[N@H+]2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028342561 561914364 /nfs/dbraw/zinc/91/43/64/561914364.db2.gz HJNXIXULSCHZBG-YEUCHJDASA-N 2 0 664.939 4.630 1 0 KJAFRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(NCC(c3ccccc3)c3ccccc3)c(C(=O)N3CCOCC3)c2)CC1 ZINC000028347769 561915124 /nfs/dbraw/zinc/91/51/24/561915124.db2.gz GGVNIEZAWIDXDA-UHFFFAOYSA-N 2 0 747.019 4.536 1 0 KJAFRP CC(=O)c1cc(S(=O)(=O)NCCC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1NCC(c1ccccc1)c1ccccc1 ZINC000028368069 561917975 /nfs/dbraw/zinc/91/79/75/561917975.db2.gz YYWRROMFPAQEIX-UHFFFAOYSA-N 2 0 635.875 4.534 1 0 KJAFRP CC(=[NH2+])N1CCC(Oc2ccc(OCc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)N[C@H](C)c3ccccc3)cc2)CC1 ZINC000028374243 561918941 /nfs/dbraw/zinc/91/89/41/561918941.db2.gz BRSITPAOLUGYEZ-OAQYLSRUSA-N 2 0 567.694 4.617 1 0 KJAFRP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1 ZINC000028385053 561920944 /nfs/dbraw/zinc/92/09/44/561920944.db2.gz KLYBPNHUSHFSOF-WJOKGBTCSA-N 2 0 518.721 4.917 1 0 KJAFRP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1 ZINC000028385060 561920951 /nfs/dbraw/zinc/92/09/51/561920951.db2.gz KLYBPNHUSHFSOF-HKBQPEDESA-N 2 0 518.721 4.917 1 0 KJAFRP C[C@@H]([NH2+]CCNc1cccc2ccccc21)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028386540 561921239 /nfs/dbraw/zinc/92/12/39/561921239.db2.gz GMMJFEFBGFCUHQ-UTONBFNKSA-N 2 0 627.233 4.981 1 0 KJAFRP C[C@H]([NH2+]CCNc1cccc2ccccc21)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028386546 561921196 /nfs/dbraw/zinc/92/11/96/561921196.db2.gz GMMJFEFBGFCUHQ-OOOSNSGVSA-N 2 0 627.233 4.981 1 0 KJAFRP C[N@H+](CCCN1CC[NH+](C)CC1)CC[C@@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028387475 561921355 /nfs/dbraw/zinc/92/13/55/561921355.db2.gz SOEPONMIESQTFA-OAQYLSRUSA-N 2 0 613.146 4.985 1 0 KJAFRP C[N@H+](CCCN1CC[NH+](C)CC1)CC[C@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028387480 561921400 /nfs/dbraw/zinc/92/14/00/561921400.db2.gz SOEPONMIESQTFA-NRFANRHFSA-N 2 0 613.146 4.985 1 0 KJAFRP Cc1nc2ccc(C(=O)Nc3cccc(-c4ccc(C(=O)N[C@@H](C(=O)N5CC[NH2+]CC5)c5ccc(OCCC[NH+](C)C)cc5)o4)c3)cc2nc1C ZINC000028387888 561921576 /nfs/dbraw/zinc/92/15/76/561921576.db2.gz GSYGFEHCMLGMNU-PSXMRANNSA-N 2 0 689.817 4.992 1 0 KJAFRP Cc1nc2ccc(C(=O)Nc3cccc(-c4ccc(C(=O)N[C@H](C(=O)N5CC[NH2+]CC5)c5ccc(OCCC[NH+](C)C)cc5)o4)c3)cc2nc1C ZINC000028387893 561921516 /nfs/dbraw/zinc/92/15/16/561921516.db2.gz GSYGFEHCMLGMNU-BHVANESWSA-N 2 0 689.817 4.992 1 0 KJAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4cnc5ccccc5c4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028387899 561921485 /nfs/dbraw/zinc/92/14/85/561921485.db2.gz AUCSCQILJBSQDX-PGUFJCEWSA-N 2 0 660.775 4.981 1 0 KJAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4cnc5ccccc5c4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028387906 561921569 /nfs/dbraw/zinc/92/15/69/561921569.db2.gz AUCSCQILJBSQDX-DHUJRADRSA-N 2 0 660.775 4.981 1 0 KJAFRP CC(C)(C)c1[nH]c2c(cc(C(C)(C)C)cc2C(C)(C)C)c1C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000028392669 561922595 /nfs/dbraw/zinc/92/25/95/561922595.db2.gz KSIUSJBKRYTXHB-NSOVKSMOSA-N 2 0 617.883 4.995 1 0 KJAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)CCCCC2)CC1 ZINC000028393977 561922814 /nfs/dbraw/zinc/92/28/14/561922814.db2.gz CTVSTRAAFFMGQH-HHHXNRCGSA-N 2 0 658.593 4.905 1 0 KJAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5ncccc5c4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028394433 561922921 /nfs/dbraw/zinc/92/29/21/561922921.db2.gz ZVHXRUBELAAPON-PGUFJCEWSA-N 2 0 660.775 4.981 1 0 KJAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5ncccc5c4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028394438 561922944 /nfs/dbraw/zinc/92/29/44/561922944.db2.gz ZVHXRUBELAAPON-DHUJRADRSA-N 2 0 660.775 4.981 1 0 KJAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)C4CCCCC4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028396211 561923139 /nfs/dbraw/zinc/92/31/39/561923139.db2.gz NZKUPXZODJAUPV-JGCGQSQUSA-N 2 0 615.775 4.699 1 0 KJAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)C4CCCCC4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028396215 561923193 /nfs/dbraw/zinc/92/31/93/561923193.db2.gz NZKUPXZODJAUPV-YTTGMZPUSA-N 2 0 615.775 4.699 1 0 KJAFRP CC(C)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028477248 561928495 /nfs/dbraw/zinc/92/84/95/561928495.db2.gz VVUROZYJZFCFFO-HOFKKMOUSA-N 2 0 563.570 4.859 1 0 KJAFRP [NH3+][C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028520501 561928953 /nfs/dbraw/zinc/92/89/53/561928953.db2.gz YFNSNDGQKLOJEG-XMMPIXPASA-N 2 0 517.526 4.606 1 0 KJAFRP [NH3+]CCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028521067 561929196 /nfs/dbraw/zinc/92/91/96/561929196.db2.gz LDKZCTCDXVIBCI-HHHXNRCGSA-N 2 0 602.632 4.502 1 0 KJAFRP COc1ccc([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CC[NH+](C)CC2)cc1 ZINC000028646222 561944878 /nfs/dbraw/zinc/94/48/78/561944878.db2.gz HMQVCJIGWYHYGP-JGCGQSQUSA-N 2 0 500.731 4.777 1 0 KJAFRP COc1ccc([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CC[NH+](C)CC2)cc1 ZINC000028646225 561944952 /nfs/dbraw/zinc/94/49/52/561944952.db2.gz HMQVCJIGWYHYGP-YTTGMZPUSA-N 2 0 500.731 4.777 1 0 KJAFRP COc1ccc(CCCC[NH+]2CCN(C[C@H](c3ccc(F)cc3)N3CC[NH+](C)CC3)CC2)c2ccccc12 ZINC000028646257 561944890 /nfs/dbraw/zinc/94/48/90/561944890.db2.gz LAGULULXSICSKS-WJOKGBTCSA-N 2 0 518.721 4.917 1 0 KJAFRP COc1ccc(CCCC[NH+]2CCN(C[C@@H](c3ccc(F)cc3)N3CC[NH+](C)CC3)CC2)c2ccccc12 ZINC000028646260 561944990 /nfs/dbraw/zinc/94/49/90/561944990.db2.gz LAGULULXSICSKS-HKBQPEDESA-N 2 0 518.721 4.917 1 0 KJAFRP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1 ZINC000028653035 561946140 /nfs/dbraw/zinc/94/61/40/561946140.db2.gz UWQSAECKWQHGPG-QBDOPFNQSA-N 2 0 660.819 4.597 1 0 KJAFRP C[C@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](F)C[C@H]4C[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000028705471 561949004 /nfs/dbraw/zinc/94/90/04/561949004.db2.gz JAVZLRVKGKICLN-GGBKSGMNSA-N 2 0 559.833 4.726 1 0 KJAFRP C[C@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](F)C[C@H]4C[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000028705474 561948998 /nfs/dbraw/zinc/94/89/98/561948998.db2.gz JAVZLRVKGKICLN-MUHPNKRVSA-N 2 0 559.833 4.726 1 0 KJAFRP C[C@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](F)C[C@H]4C[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000028705477 561949018 /nfs/dbraw/zinc/94/90/18/561949018.db2.gz JAVZLRVKGKICLN-JTBCJSLRSA-N 2 0 559.833 4.726 1 0 KJAFRP C[C@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](F)C[C@H]4C[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000028705479 561948983 /nfs/dbraw/zinc/94/89/83/561948983.db2.gz JAVZLRVKGKICLN-VOCJDUCRSA-N 2 0 559.833 4.726 1 0 KJAFRP C[NH+](C)CCn1nc(C(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)c(Br)c1NC(=O)c1ccccc1Cl ZINC000028712003 561952582 /nfs/dbraw/zinc/95/25/82/561952582.db2.gz AWYVOTLFOBPIEN-UHFFFAOYSA-N 2 0 602.965 4.544 1 0 KJAFRP COc1cc2cc[n+](C)c(Cc3ccccc3Cc3c4cc(OC)c(OC)cc4cc[n+]3C)c2cc1OC ZINC000028712422 561952955 /nfs/dbraw/zinc/95/29/55/561952955.db2.gz KCUMNQNAEZNVSR-UHFFFAOYSA-N 2 0 510.634 4.858 1 0 KJAFRP COc1cc2cc[n+](C)c(Cc3cccc(Cc4c5cc(OC)c(OC)cc5cc[n+]4C)c3)c2cc1OC ZINC000028712423 561952925 /nfs/dbraw/zinc/95/29/25/561952925.db2.gz OFPOXHUNQVRYFK-UHFFFAOYSA-N 2 0 510.634 4.858 1 0 KJAFRP COc1cc2cc[n+](C)c(Cc3ccc(Cc4c5cc(OC)c(OC)cc5cc[n+]4C)cc3)c2cc1OC ZINC000028712424 561952927 /nfs/dbraw/zinc/95/29/27/561952927.db2.gz DOPHHDCOIZYVAU-UHFFFAOYSA-N 2 0 510.634 4.858 1 0 KJAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCN(C)CCCN(C)CC[N@@H+]1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714074 561954701 /nfs/dbraw/zinc/95/47/01/561954701.db2.gz XEPMXKVQYFUXLU-YEUCHJDASA-N 2 0 666.955 4.876 1 0 KJAFRP CCOC(=O)CCC(=O)N(C/C=C/c1cc(C(N)=[NH2+])ccc1O)c1ccc(OC2CCN(C(C)=[NH2+])CC2)c(C(F)(F)F)c1 ZINC000028758353 561957253 /nfs/dbraw/zinc/95/72/53/561957253.db2.gz RTTQFIGRYFHGSR-YMPLOWLPSA-N 2 0 603.642 4.925 1 0 KJAFRP Clc1ccc2c(c1)nccc2NCCC[NH+]1CCN(CCC[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000028822350 561966906 /nfs/dbraw/zinc/96/69/06/561966906.db2.gz HEORJBIZGYPLLY-UHFFFAOYSA-N 3 0 535.180 4.505 1 0 KJAFRP Cc1c(C[N@H+](C)C[C@H](O)c2ccc(C[NH+](C)C)cc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822557 561967338 /nfs/dbraw/zinc/96/73/38/561967338.db2.gz WMOFUUNABPTEKS-VWLOTQADSA-N 2 0 567.155 4.719 1 0 KJAFRP Cc1c(C[N@H+](C)C[C@@H](O)c2ccc(C[NH+](C)C)cc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822558 561967314 /nfs/dbraw/zinc/96/73/14/561967314.db2.gz WMOFUUNABPTEKS-RUZDIDTESA-N 2 0 567.155 4.719 1 0 KJAFRP CC(C)C[C@H]([NH2+]CCC[NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823905 561968583 /nfs/dbraw/zinc/96/85/83/561968583.db2.gz VAYCDIWDIOSEFX-LMSSTIIKSA-N 2 0 588.624 4.901 1 0 KJAFRP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2CN(CC[NH3+])C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824070 561968860 /nfs/dbraw/zinc/96/88/60/561968860.db2.gz PXMOUMJOVHXQIZ-NXCFDTQHSA-N 2 0 566.112 4.728 1 0 KJAFRP COC[C@@H](C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccc(C)cc3[C@@H]([NH3+])C(C)C)CC2)C1 ZINC000028824111 561968991 /nfs/dbraw/zinc/96/89/91/561968991.db2.gz YAELXWATNYAJNR-YXPSQANSSA-N 2 0 527.153 4.703 1 0 KJAFRP COC[C@H](C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccc(C)cc3[C@@H]([NH3+])C(C)C)CC2)C1 ZINC000028824112 561968997 /nfs/dbraw/zinc/96/89/97/561968997.db2.gz YAELXWATNYAJNR-NNNZQYNTSA-N 2 0 527.153 4.703 1 0 KJAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824117 561969095 /nfs/dbraw/zinc/96/90/95/561969095.db2.gz KHUSEOUYELGLMC-QVKOCQLISA-N 2 0 539.164 4.847 1 0 KJAFRP Cc1ccc(N2CCN(C(=O)[C@H]3C[N@@H+](C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824118 561969023 /nfs/dbraw/zinc/96/90/23/561969023.db2.gz KHUSEOUYELGLMC-UNRZKBSHSA-N 2 0 539.164 4.847 1 0 KJAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824134 561969088 /nfs/dbraw/zinc/96/90/88/561969088.db2.gz KHUSEOUYELGLMC-LXQNXJGFSA-N 2 0 539.164 4.847 1 0 KJAFRP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824144 561969111 /nfs/dbraw/zinc/96/91/11/561969111.db2.gz KBCSJIBLEYAWLZ-GSLIJJQTSA-N 2 0 501.090 4.908 1 0 KJAFRP [NH3+]Cc1ncc([C@@]23C[C@@H]2[C@H](N(CC[NH+]2CCCC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825133 561970302 /nfs/dbraw/zinc/97/03/02/561970302.db2.gz KVOBDYCIQQYMER-BOCKYXSRSA-N 2 0 511.589 4.810 1 0 KJAFRP C[C@@H]1CN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4cnc(C[NH3+])s4)C[C@H]23)[C@@H](C)C[NH2+]1 ZINC000028825141 561970383 /nfs/dbraw/zinc/97/03/83/561970383.db2.gz RKJUMSVZMWUHDU-RZAVBMFBSA-N 2 0 568.685 4.786 1 0 KJAFRP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000028825738 561970904 /nfs/dbraw/zinc/97/09/04/561970904.db2.gz GMAMPDPQMILWCI-BJKOFHAPSA-N 2 0 602.529 4.783 1 0 KJAFRP CC(C)C[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000028825739 561970898 /nfs/dbraw/zinc/97/08/98/561970898.db2.gz GMAMPDPQMILWCI-DNQXCXABSA-N 2 0 602.529 4.783 1 0 KJAFRP CC(C)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000028825746 561970947 /nfs/dbraw/zinc/97/09/47/561970947.db2.gz QKOLGGSRJVIDED-BJKOFHAPSA-N 2 0 602.529 4.783 1 0 KJAFRP CC(C)C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000028825747 561970970 /nfs/dbraw/zinc/97/09/70/561970970.db2.gz QKOLGGSRJVIDED-DNQXCXABSA-N 2 0 602.529 4.783 1 0 KJAFRP [NH3+]CCCN1CC[NH+](CCCN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000028826271 561971259 /nfs/dbraw/zinc/97/12/59/561971259.db2.gz JVESEOWTESJOMA-NFFVHWSESA-N 2 0 536.164 4.956 1 0 KJAFRP CC(C)c1sc(NC(=O)c2cc(NC(=O)c3cc(NC(=[NH2+])c4ccccc4)cn3C)cn2C)nc1C(=O)NCCC[NH+](C)C ZINC000028863592 561972324 /nfs/dbraw/zinc/97/23/24/561972324.db2.gz AFVPSNNNECJSSA-UHFFFAOYSA-N 2 0 617.780 4.567 1 0 KJAFRP C[N@@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1ccc(C(C)(C)C)cc1)C2 ZINC000028864114 561972454 /nfs/dbraw/zinc/97/24/54/561972454.db2.gz IEKFIZICLFDORP-UHFFFAOYSA-N 2 0 601.742 4.762 1 0 KJAFRP CCSc1ccc(C[N@@H+]2CCc3c(c(=O)n(CC[NH+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864130 561972610 /nfs/dbraw/zinc/97/26/10/561972610.db2.gz RJBKPNBOIDAQBD-UHFFFAOYSA-N 2 0 605.755 4.576 1 0 KJAFRP Cc1c2ccccc2sc1C[NH+]1CCc2c(c(=O)n(CC[N@@H+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864146 561972443 /nfs/dbraw/zinc/97/24/43/561972443.db2.gz GBQXEIGMFIPHBT-UHFFFAOYSA-N 2 0 615.750 4.987 1 0 KJAFRP Cc1c2ccccc2sc1C[NH+]1CCc2c(c(=O)n(CC[N@@H+](C)CCc3ccccn3)c(=O)n2Cc2ccccc2)C1 ZINC000028864160 561972901 /nfs/dbraw/zinc/97/29/01/561972901.db2.gz CKXBNWWRXBYJLE-UHFFFAOYSA-N 2 0 579.770 4.709 1 0 KJAFRP Cc1c2ccccc2sc1C[NH+]1CCc2c(c(=O)n(CC[N@@H+](C)CCc3ccccn3)c(=O)n2Cc2ccccc2F)C1 ZINC000028864161 561972779 /nfs/dbraw/zinc/97/27/79/561972779.db2.gz XPLFJWZQERBCOJ-UHFFFAOYSA-N 2 0 597.760 4.848 1 0 KJAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCCC[NH+]4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864200 561972757 /nfs/dbraw/zinc/97/27/57/561972757.db2.gz NFSVFVSAVLFOGI-NDEPHWFRSA-N 2 0 599.726 4.961 1 0 KJAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCCC[NH+]4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864202 561972840 /nfs/dbraw/zinc/97/28/40/561972840.db2.gz NFSVFVSAVLFOGI-MUUNZHRXSA-N 2 0 599.726 4.961 1 0 KJAFRP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCC[N@@H+](CC(C)C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864221 561972714 /nfs/dbraw/zinc/97/27/14/561972714.db2.gz RGEVUXIWFRBFJB-RUZDIDTESA-N 2 0 564.721 4.880 1 0 KJAFRP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCC[N@@H+](CC(C)C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864224 561972869 /nfs/dbraw/zinc/97/28/69/561972869.db2.gz RGEVUXIWFRBFJB-VWLOTQADSA-N 2 0 564.721 4.880 1 0 KJAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH+](Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864238 561973062 /nfs/dbraw/zinc/97/30/62/561973062.db2.gz RTDFPRBOVNIPCI-AREMUKBSSA-N 2 0 599.726 4.819 1 0 KJAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH+](Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864240 561973143 /nfs/dbraw/zinc/97/31/43/561973143.db2.gz RTDFPRBOVNIPCI-SANMLTNESA-N 2 0 599.726 4.819 1 0 KJAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH+](CCc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864245 561973036 /nfs/dbraw/zinc/97/30/36/561973036.db2.gz ZJUVUSLUDJXXPT-HHHXNRCGSA-N 2 0 613.753 4.861 1 0 KJAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH+](CCc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864247 561973014 /nfs/dbraw/zinc/97/30/14/561973014.db2.gz ZJUVUSLUDJXXPT-MHZLTWQESA-N 2 0 613.753 4.861 1 0 KJAFRP COc1cc(C2=[NH+]CCN2)cc2cc(CCCCCc3cc4cc(C5=[NH+]CCN5)cc(OC)c4o3)oc21 ZINC000028870156 561973963 /nfs/dbraw/zinc/97/39/63/561973963.db2.gz UTCBWISHPJMQAY-UHFFFAOYSA-N 2 0 500.599 4.851 1 0 KJAFRP COc1ccccc1N1CC[NH+](CCc2cccc(OC(=O)COCC(=O)Oc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873160 561974753 /nfs/dbraw/zinc/97/47/53/561974753.db2.gz QVSWWKKOPZQRRU-UHFFFAOYSA-N 2 0 722.883 4.961 1 0 KJAFRP COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(CC[NH+](C)C)c3=O)CC2)C(C)C)c1 ZINC000028874800 561975262 /nfs/dbraw/zinc/97/52/62/561975262.db2.gz FHYHHLGBGCSPJW-NDEPHWFRSA-N 2 0 508.707 4.812 1 0 KJAFRP COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(CC[NH+](C)C)c3=O)CC2)C(C)C)c1 ZINC000028874804 561975300 /nfs/dbraw/zinc/97/53/00/561975300.db2.gz FHYHHLGBGCSPJW-MUUNZHRXSA-N 2 0 508.707 4.812 1 0 KJAFRP COc1cc(-c2oc3ncnc(NCCN4CC[NH2+]CC4)c3c2-c2ccccc2)ccc1OCC[NH+]1CCCCC1 ZINC000028879321 561976284 /nfs/dbraw/zinc/97/62/84/561976284.db2.gz PQXQJSMNKNNINY-UHFFFAOYSA-N 2 0 556.711 4.747 1 0 KJAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccco4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953706 561982507 /nfs/dbraw/zinc/98/25/07/561982507.db2.gz HGKMYGLOLULUCK-IZLXSDGUSA-N 2 0 527.153 4.994 1 0 KJAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccoc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953728 561982490 /nfs/dbraw/zinc/98/24/90/561982490.db2.gz LGPQYEJGWLGLAJ-IZLXSDGUSA-N 2 0 527.153 4.994 1 0 KJAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4nccs4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953735 561982445 /nfs/dbraw/zinc/98/24/45/561982445.db2.gz WZYCVLMRRGSXKF-FTJBHMTQSA-N 2 0 544.209 4.857 1 0 KJAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccn4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953813 561982549 /nfs/dbraw/zinc/98/25/49/561982549.db2.gz JFDFGNJSMNQBIE-WDYNHAJCSA-N 2 0 538.180 4.796 1 0 KJAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4cccnc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953816 561982472 /nfs/dbraw/zinc/98/24/72/561982472.db2.gz JXZXACOJLYOEII-WDYNHAJCSA-N 2 0 538.180 4.796 1 0 KJAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccncc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953825 561982633 /nfs/dbraw/zinc/98/26/33/561982633.db2.gz SJONUAZTIADEJJ-WDYNHAJCSA-N 2 0 538.180 4.796 1 0 KJAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]CCc4ccccn4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953875 561982593 /nfs/dbraw/zinc/98/25/93/561982593.db2.gz DYWHPNRMYVPDBS-IHLOFXLRSA-N 2 0 552.207 4.838 1 0 KJAFRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953938 561982769 /nfs/dbraw/zinc/98/27/69/561982769.db2.gz BRSYMCZMJVASTK-MJSOWUPRSA-N 2 0 594.244 4.502 1 0 KJAFRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953940 561982782 /nfs/dbraw/zinc/98/27/82/561982782.db2.gz BRSYMCZMJVASTK-AYQJTBPPSA-N 2 0 594.244 4.502 1 0 KJAFRP CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CC3CC[NH2+]CC3)CC2)C1 ZINC000028959785 561983878 /nfs/dbraw/zinc/98/38/78/561983878.db2.gz CCFHTGXMQLCUQJ-WUFINQPMSA-N 2 0 509.138 4.655 1 0 KJAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)C[NH+](C)C)C(C)C)c1 ZINC000028960058 561983911 /nfs/dbraw/zinc/98/39/11/561983911.db2.gz BMMGOGXSWCPOBQ-LBRLCBGXSA-N 2 0 582.233 4.796 1 0 KJAFRP C[NH+](C)CCN(c1cc[nH+]cc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000028964308 561984768 /nfs/dbraw/zinc/98/47/68/561984768.db2.gz MNJNTWVQZAJTOG-UHFFFAOYSA-N 2 0 568.588 4.888 1 0 KJAFRP CC(=O)c1sc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975333 561986411 /nfs/dbraw/zinc/98/64/11/561986411.db2.gz GIMZSPHDTTYQLI-BFLUCZKCSA-N 2 0 541.737 4.970 1 0 KJAFRP CC(=O)c1sc(NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C(C)=O)CC3)C[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975339 561986488 /nfs/dbraw/zinc/98/64/88/561986488.db2.gz SEGSTAYQKLCBCH-IWVFXYMLSA-N 2 0 612.816 4.571 1 0 KJAFRP CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975345 561986391 /nfs/dbraw/zinc/98/63/91/561986391.db2.gz IATQFPFNGNYBPW-BXTSTYNKSA-N 2 0 584.806 4.654 1 0 KJAFRP CC(=O)c1sc(NC(=O)N[C@@H]2C[N@H+](CC3CC3)CC[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975443 561986615 /nfs/dbraw/zinc/98/66/15/561986615.db2.gz BGRYRZFRZVJJFE-KYPHJKQUSA-N 2 0 541.737 4.970 1 0 KJAFRP CC(=O)c1sc(NC(=O)N[C@@H]2CN(C3CC[NH+](C)CC3)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975453 561986660 /nfs/dbraw/zinc/98/66/60/561986660.db2.gz DUQPPLUAQADJCL-PNIUZAESSA-N 2 0 584.806 4.654 1 0 KJAFRP C[C@@H](CC[N@@H+]1CCc2c(c(=O)n(CC[NH+]3CCCCC3)c(=O)n2Cc2c(F)cccc2F)C1)CC(C)(C)C ZINC000029060705 561995652 /nfs/dbraw/zinc/99/56/52/561995652.db2.gz DLHODBGBXCELJA-QFIPXVFZSA-N 2 0 530.704 4.643 1 0 KJAFRP C[C@H](CC[N@@H+]1CCc2c(c(=O)n(CC[NH+]3CCCCC3)c(=O)n2Cc2c(F)cccc2F)C1)CC(C)(C)C ZINC000029060710 561995664 /nfs/dbraw/zinc/99/56/64/561995664.db2.gz DLHODBGBXCELJA-JOCHJYFZSA-N 2 0 530.704 4.643 1 0 KJAFRP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000029130269 562002377 /nfs/dbraw/zinc/00/23/77/562002377.db2.gz YZFGLYSCMDRPPR-HEHLMWRFSA-N 2 0 601.758 4.642 1 0 KJAFRP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2cc(F)ccc2F)CC1 ZINC000029130357 562002522 /nfs/dbraw/zinc/00/25/22/562002522.db2.gz YEUBWLQDBIKYSD-PZXMZKPCSA-N 2 0 601.758 4.642 1 0 KJAFRP Cc1cccc([C@@H]2C[N@H+](C(C)C)C[C@H]2C(=O)N2CCN(c3c(F)cccc3[C@@H](NC(=O)CC[NH+](C)C)C(C)C)CC2)c1 ZINC000029130489 562002591 /nfs/dbraw/zinc/00/25/91/562002591.db2.gz YWHUDUIEXKHFJO-LBRLCBGXSA-N 2 0 579.805 4.672 1 0 KJAFRP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2cccc(F)c2)CC1 ZINC000029130491 562002533 /nfs/dbraw/zinc/00/25/33/562002533.db2.gz LIOMBGTYRNUNNP-QXIHQKPUSA-N 2 0 583.768 4.502 1 0 KJAFRP Cc1ccc(N2CCN(C(=O)[C@H]3C[N@@H+](C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CC[NH+](C)C)C(C)C)c1 ZINC000029131054 562002842 /nfs/dbraw/zinc/00/28/42/562002842.db2.gz XJIWJTAALOWWFJ-RASJINCSSA-N 2 0 638.297 4.957 1 0 KJAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CC[NH+](C)C)C(C)C)c1 ZINC000029131061 562002846 /nfs/dbraw/zinc/00/28/46/562002846.db2.gz XJIWJTAALOWWFJ-UKAHRKLESA-N 2 0 638.297 4.957 1 0 KJAFRP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2cc(F)cc(F)c2)CC1 ZINC000029131548 562003228 /nfs/dbraw/zinc/00/32/28/562003228.db2.gz GIDRZUZJOGBZEN-QXIHQKPUSA-N 2 0 601.758 4.642 1 0 KJAFRP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000029131550 562003144 /nfs/dbraw/zinc/00/31/44/562003144.db2.gz MFZOJIKQOIALPN-NTWBYJAHSA-N 2 0 619.748 4.781 1 0 KJAFRP C[NH+]1CCN(c2cccc3ccc(OCC(=O)Nc4ccc(NC(=O)COc5ccc6[nH]cc(CC[NH3+])c6c5)cc4)cc32)CC1 ZINC000029207829 562005382 /nfs/dbraw/zinc/00/53/82/562005382.db2.gz CGHABSNFJJPLNR-UHFFFAOYSA-N 2 0 606.727 4.609 1 0 KJAFRP C[NH+]1CCN(c2cccc3ccc(OCCOc4ccc5cccc(N6CC[NH+](C)CC6)c5c4)cc32)CC1 ZINC000029212591 562005973 /nfs/dbraw/zinc/00/59/73/562005973.db2.gz DXVCDEJYEPFURE-UHFFFAOYSA-N 2 0 510.682 4.954 1 0 KJAFRP CCCCC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[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 ZINC000029252851 562011383 /nfs/dbraw/zinc/01/13/83/562011383.db2.gz VXSPNGNSOYREIE-IWRYZOJTSA-N 2 0 677.842 4.604 1 0 KJAFRP Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@H+]2CCc1ccccc1)[C@H]5O4 ZINC000029254077 562011521 /nfs/dbraw/zinc/01/15/21/562011521.db2.gz RIIOHYVJMPLXEI-CTHHFRLWSA-N 2 0 711.859 4.657 1 0 KJAFRP CC(C)[NH2+]C[C@@H](O)COc1ccccc1OCCCCCCCCOc1ccccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000029322547 562013157 /nfs/dbraw/zinc/01/31/57/562013157.db2.gz UWWKDAQMJXTHOC-HNRBIFIRSA-N 2 0 560.776 4.960 1 0 KJAFRP CC(C)[NH2+]C[C@H](O)COc1ccc(OCCCCCCCCOc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000029340796 562015281 /nfs/dbraw/zinc/01/52/81/562015281.db2.gz UEEJIDSELHOFIA-NSOVKSMOSA-N 2 0 560.776 4.960 1 0 KJAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000029347054 562016444 /nfs/dbraw/zinc/01/64/44/562016444.db2.gz OXJHSXCSXNNRAH-UHFFFAOYSA-N 4 0 676.862 4.584 1 0 KJAFRP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCNC(=O)[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029389543 562016996 /nfs/dbraw/zinc/01/69/96/562016996.db2.gz QJTIBSMGWLVSTE-VIJSPRBVSA-N 2 0 559.582 4.777 1 0 KJAFRP COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)CCCCCC[NH+](C)C)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029407952 562021075 /nfs/dbraw/zinc/02/10/75/562021075.db2.gz XTQSACOVMOQXLB-UDYUOCFDSA-N 2 0 568.711 4.600 1 0 KJAFRP COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)CCCCCC[NH+](C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029407954 562021057 /nfs/dbraw/zinc/02/10/57/562021057.db2.gz XTQSACOVMOQXLB-SOVVWBNOSA-N 2 0 568.711 4.600 1 0 KJAFRP CN(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N(C)C(=O)c4ccccc4)C3)cc2)C1 ZINC000029551612 562031191 /nfs/dbraw/zinc/03/11/91/562031191.db2.gz JNWSXLWBKCGBLL-ROJLCIKYSA-N 2 0 594.756 4.708 1 0 KJAFRP CN(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C)C(=O)c4ccccc4)C3)cc2)C1 ZINC000029551616 562031161 /nfs/dbraw/zinc/03/11/61/562031161.db2.gz JNWSXLWBKCGBLL-MEKGRNQZSA-N 2 0 594.756 4.708 1 0 KJAFRP CN(CCC[NH+](C)C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000029564795 562034183 /nfs/dbraw/zinc/03/41/83/562034183.db2.gz ZPNZNSGPAPEDNM-IJZPSBCPSA-N 2 0 639.885 4.887 1 0 KJAFRP CC[n+]1cccc2cc(NC(=O)COc3ccc(C(=O)Nc4ccc5c(ccc[n+]5CC)c4)cc3)ccc21 ZINC000031560218 562036216 /nfs/dbraw/zinc/03/62/16/562036216.db2.gz AHVFTYNGCNUNQP-UHFFFAOYSA-P 2 0 506.606 4.878 1 0 KJAFRP O=C(NCc1ccccc1)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)NCc4ccccc4)C3)cc2)C1 ZINC000034624868 562039265 /nfs/dbraw/zinc/03/92/65/562039265.db2.gz ZDPYMPPMCCZBQQ-ACHIHNKUSA-N 2 0 538.736 4.743 1 0 KJAFRP COC(=O)[C@H](C)CN(c1ccc2c(c1)[nH+]c(C)n2Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000034689188 562039648 /nfs/dbraw/zinc/03/96/48/562039648.db2.gz WHWVUIVBICTFFL-HXUWFJFHSA-N 3 0 553.711 4.907 1 0 KJAFRP COC(=O)[C@H](C)CN(c1ccc2nc(C)n(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000034689189 562039641 /nfs/dbraw/zinc/03/96/41/562039641.db2.gz NKIYBUFLKCGVNM-HXUWFJFHSA-N 2 0 553.711 4.907 1 0 KJAFRP CC(=[NH2+])N1CCC(N(C[C@@H](C)C(=O)[O-])c2ccc3c(c2)[nH+]c(C)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000034689190 562039683 /nfs/dbraw/zinc/03/96/83/562039683.db2.gz QFVNCLWGZGECGE-LJQANCHMSA-N 2 0 539.684 4.819 1 0 KJAFRP CC(=[NH2+])N1CCC(Oc2ccc(OCc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)N[C@@H](C)c3ccccc3)cc2)CC1 ZINC000034689194 562039640 /nfs/dbraw/zinc/03/96/40/562039640.db2.gz BRSITPAOLUGYEZ-NRFANRHFSA-N 2 0 567.694 4.617 1 0 KJAFRP CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC[NH2+]CCCCCCCCCCCC[NH3+] ZINC000035033591 562044433 /nfs/dbraw/zinc/04/44/33/562044433.db2.gz QLTKHQBBVFTAHY-NDEPHWFRSA-N 2 0 518.787 4.955 1 0 KJAFRP COc1cc(CC[NH+](C)C)c2c(c1O)Sc1c(CC[NH+](C)C)c(SC)c(OC)c(OC)c1S2 ZINC000035274625 562045126 /nfs/dbraw/zinc/04/51/26/562045126.db2.gz FSYLPUMJHGADJA-UHFFFAOYSA-N 2 0 510.747 4.964 1 0 KJAFRP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4ccc(CC5CC[NH2+]CC5)cc4)ccc3F)c2)CC[NH2+]1 ZINC000035904508 562045687 /nfs/dbraw/zinc/04/56/87/562045687.db2.gz RLWSKRZUIMFUCK-QHCPKHFHSA-N 2 0 514.689 4.759 1 0 KJAFRP CCCCC(=[NH2+])NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@@H]3O5 ZINC000036221079 562051412 /nfs/dbraw/zinc/05/14/12/562051412.db2.gz LHABVQRHEYQPMS-BESSAKRQSA-N 2 0 526.681 4.830 1 0 KJAFRP CCCCC(=[NH2+])NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000036221082 562051441 /nfs/dbraw/zinc/05/14/41/562051441.db2.gz LHABVQRHEYQPMS-DZVDWBIPSA-N 2 0 526.681 4.830 1 0 KJAFRP CCCCC(=[NH2+])NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@@H]3O5 ZINC000036221141 562051418 /nfs/dbraw/zinc/05/14/18/562051418.db2.gz UAIUAJRUOCAUGH-PFFZYSGCSA-N 2 0 540.708 4.872 1 0 KJAFRP CC[NH+]1CCC(CC(C)C)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000036285254 562053880 /nfs/dbraw/zinc/05/38/80/562053880.db2.gz ZBUVKSGDTHZTBY-FIRIVFDPSA-N 2 0 594.244 4.647 1 0 KJAFRP CC[NH+]1CCC(CC(C)C)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000036285258 562053869 /nfs/dbraw/zinc/05/38/69/562053869.db2.gz ZBUVKSGDTHZTBY-IOWSJCHKSA-N 2 0 594.244 4.647 1 0 KJAFRP COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000036350258 562058104 /nfs/dbraw/zinc/05/81/04/562058104.db2.gz MDGYMVFSBKXGQB-CKKSYRDUSA-N 2 0 633.834 4.633 1 0 KJAFRP COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000036350259 562058089 /nfs/dbraw/zinc/05/80/89/562058089.db2.gz MDGYMVFSBKXGQB-XGRPBWIBSA-N 2 0 633.834 4.633 1 0 KJAFRP C[NH+](C)Cc1cccc([C@@]23C[C@@H]2C[C@H](N(CCCN2CC[NH+](C)CC2)c2nc4cc(F)c(F)cc4[nH]2)CC3)c1 ZINC000036351809 562059424 /nfs/dbraw/zinc/05/94/24/562059424.db2.gz UHWJCLZESHKMAC-NVDQFQLTSA-N 2 0 536.715 4.857 1 0 KJAFRP CC[NH2+]C[C@@H]1CCCN1C[C@H](Cc1ccccc1)[N@H+](CC)C[C@H](Cc1ccc(O)cc1)N(CC)C[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000038147602 562065548 /nfs/dbraw/zinc/06/55/48/562065548.db2.gz RAUSFOOIAODGPX-ZYADHFCISA-N 3 0 615.907 4.908 1 0 KJAFRP C[NH+]1CCN(CCCN(c2nc3cc(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 562066186 /nfs/dbraw/zinc/06/61/86/562066186.db2.gz CQLUIXRFWRPBOB-CWFKBQJKSA-N 2 0 592.779 4.752 1 0 KJAFRP CC[NH+](CC)Cc1ccc(OCCCC[N@@H+]2CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c4c(ccc3OC)C2)cc1 ZINC000040402394 562074749 /nfs/dbraw/zinc/07/47/49/562074749.db2.gz GOISZTQNZMENLA-HOMRVSDPSA-N 2 0 506.687 4.922 1 0 KJAFRP CN1CC[NH+](CCC(=O)N[C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040429211 562076699 /nfs/dbraw/zinc/07/66/99/562076699.db2.gz QYIQPSSWHKZILG-WYJFYEORSA-N 2 0 514.758 4.715 1 0 KJAFRP C[NH+]1CCN(CCC(=O)N2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040431365 562076841 /nfs/dbraw/zinc/07/68/41/562076841.db2.gz ZDRIKSGZRQIWCF-GNWHWUCQSA-N 2 0 514.758 4.811 1 0 KJAFRP C[NH+]1CCN(CCC(=O)N2CCC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000040431367 562077036 /nfs/dbraw/zinc/07/70/36/562077036.db2.gz ZDRIKSGZRQIWCF-BLBFUENDSA-N 2 0 514.758 4.811 1 0 KJAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCOC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000040898981 562083274 /nfs/dbraw/zinc/08/32/74/562083274.db2.gz KKXVHHRAFBLUGV-OBWKWBNQSA-N 2 0 518.698 4.682 1 0 KJAFRP O=C(CC[NH+]1CCC(O)CC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040918289 562084246 /nfs/dbraw/zinc/08/42/46/562084246.db2.gz TUKYSIUSXLDYEJ-ZIQMFUFLSA-N 2 0 502.699 4.961 1 0 KJAFRP O=C(CC[NH+]1CCC(O)CC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040918290 562084233 /nfs/dbraw/zinc/08/42/33/562084233.db2.gz TUKYSIUSXLDYEJ-GJTYJFQVSA-N 2 0 502.699 4.961 1 0 KJAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000040918545 562084386 /nfs/dbraw/zinc/08/43/86/562084386.db2.gz JJKLLEHFPKRJTB-HOMRVSDPSA-N 2 0 504.671 4.676 1 0 KJAFRP COc1cc2nc(N3CCC([NH+]4CCCC4)CC3)nc(NC3CC[NH+](Cc4ccccc4)CC3)c2cc1OC ZINC000040933019 562084595 /nfs/dbraw/zinc/08/45/95/562084595.db2.gz PKAQMUNUKPPTFK-UHFFFAOYSA-N 2 0 530.717 4.788 1 0 KJAFRP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CC[NH2+]CC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000040953010 562086281 /nfs/dbraw/zinc/08/62/81/562086281.db2.gz ZOZCBLGQKDOWFZ-QHCPKHFHSA-N 2 0 514.689 4.759 1 0 KJAFRP CN(C(=O)c1ccccc1)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C)C(=O)c4ccccc4)C3)cc2)C1 ZINC000043099805 562645916 /nfs/dbraw/zinc/64/59/16/562645916.db2.gz JNWSXLWBKCGBLL-ACHIHNKUSA-N 2 0 594.756 4.708 1 0 KJAFRP COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CCCCC[N@H+](C)CCc2c[nH]c3ccccc23)CC1 ZINC000043119921 562646062 /nfs/dbraw/zinc/64/60/62/562646062.db2.gz XALYLOGPBGCSDB-UHFFFAOYSA-N 2 0 526.125 4.951 1 0 KJAFRP C[NH+](C)CCCNC(=S)NCCCc1cccc2c1Oc1c(CCCNC(=S)NCCC[NH+](C)C)cccc1C2(C)C ZINC000043322970 562647777 /nfs/dbraw/zinc/64/77/77/562647777.db2.gz OYHSLAXBDOPKFN-UHFFFAOYSA-N 2 0 612.954 4.815 1 0 KJAFRP O=C(CC[NH+]1CCCCC1)Nc1ccc(/C=C2\CCn3c2nc2cc(NC(=O)CC[NH+]4CCCCC4)ccc2c3=O)cc1 ZINC000044306042 562653617 /nfs/dbraw/zinc/65/36/17/562653617.db2.gz SFVXPTVSMUVIDP-WNAAXNPUSA-N 2 0 582.749 4.970 1 0 KJAFRP O=C(CC[NH+]1CCCCC1)Nc1ccc(/C=C2\CCn3c2nc2ccc(NC(=O)CC[NH+]4CCCCC4)cc2c3=O)cc1 ZINC000044358902 562655386 /nfs/dbraw/zinc/65/53/86/562655386.db2.gz FWHNRFYHUACEBZ-WNAAXNPUSA-N 2 0 582.749 4.970 1 0 KJAFRP CC(C)C[C@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH2+]C[C@@H]2CCOC2)CC1 ZINC000044387884 562656223 /nfs/dbraw/zinc/65/62/23/562656223.db2.gz NWGKXGYKMBHTML-NJTBCWBZSA-N 2 0 547.571 4.925 1 0 KJAFRP CC(C)C[C@@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH2+]C[C@@H]2CCOC2)CC1 ZINC000044387887 562656221 /nfs/dbraw/zinc/65/62/21/562656221.db2.gz NWGKXGYKMBHTML-GCCWUPBUSA-N 2 0 547.571 4.925 1 0 KJAFRP CC(C)C[C@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH2+]C[C@H]2CCOC2)CC1 ZINC000044387890 562656239 /nfs/dbraw/zinc/65/62/39/562656239.db2.gz NWGKXGYKMBHTML-COFKYPDJSA-N 2 0 547.571 4.925 1 0 KJAFRP CC(C)C[C@@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH2+]C[C@H]2CCOC2)CC1 ZINC000044387893 562656226 /nfs/dbraw/zinc/65/62/26/562656226.db2.gz NWGKXGYKMBHTML-SACAOSOOSA-N 2 0 547.571 4.925 1 0 KJAFRP CN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(OCC[NH+](C)C)c1 ZINC000044417088 562657066 /nfs/dbraw/zinc/65/70/66/562657066.db2.gz HGMLITCVWHXBFF-UHFFFAOYSA-N 2 0 543.455 4.720 1 0 KJAFRP Cc1noc(C)c1C[N@@H+]1CCCN(c2ccc3c(c2)CC[NH+](Cc2ccc(-c4ncc[nH]4)cc2)CC3)CC1 ZINC000045188419 562658344 /nfs/dbraw/zinc/65/83/44/562658344.db2.gz LXIQEFUKTIOSFC-UHFFFAOYSA-N 2 0 510.686 4.995 1 0 KJAFRP CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(C[NH2+]C4Cc5ccccc5C4)cc3)nc2)cc1 ZINC000045189549 562658398 /nfs/dbraw/zinc/65/83/98/562658398.db2.gz CHMCELBXZMPYLM-UHFFFAOYSA-N 2 0 511.691 4.741 1 0 KJAFRP C[NH+](C)Cc1cccc(-c2ccc(NC(=O)c3ccc4c(c3)ncn(CC[NH+]3CCCCC3)c4=O)cc2)c1 ZINC000045193008 562658727 /nfs/dbraw/zinc/65/87/27/562658727.db2.gz PNQLWMSKOAHPQP-UHFFFAOYSA-N 2 0 509.654 4.863 1 0 KJAFRP c1cc(C2=[NH+][C@H]3CCCC[C@H]3N2)cc2[nH]c(CCc3nc4ccc(C5=[NH+][C@H]6CCCC[C@H]6N5)cc4[nH]3)nc12 ZINC000045195898 562658903 /nfs/dbraw/zinc/65/89/03/562658903.db2.gz RDSSQPCIISVJNG-COPRSSIGSA-N 2 0 506.658 4.546 1 0 KJAFRP c1cc(C2=[NH+][C@@H]3CCCC[C@@H]3N2)cc2[nH]c(CCc3nc4cc(C5=[NH+][C@H]6CCCC[C@@H]6N5)ccc4[nH]3)nc12 ZINC000045195901 562658934 /nfs/dbraw/zinc/65/89/34/562658934.db2.gz RDSSQPCIISVJNG-MYGLTJDJSA-N 2 0 506.658 4.546 1 0 KJAFRP c1cc(C2=[NH+][C@@H]3CCCC[C@H]3N2)cc2[nH]c(CCc3nc4ccc(C5=[NH+][C@H]6CCCC[C@H]6N5)cc4[nH]3)nc12 ZINC000045195904 562658925 /nfs/dbraw/zinc/65/89/25/562658925.db2.gz RDSSQPCIISVJNG-YSFYHYPLSA-N 2 0 506.658 4.546 1 0 KJAFRP CCC[NH2+]Cc1ccc(-c2ccc(CN(C(=O)c3nn(-c4ccccc4)nc3C)[C@@H](C)C[NH+](C)C)cc2)nc1 ZINC000045201779 562659118 /nfs/dbraw/zinc/65/91/18/562659118.db2.gz MCDPHQINYGGFPU-QHCPKHFHSA-N 2 0 525.701 4.730 1 0 KJAFRP CCC[NH2+]Cc1ccc(-c2ccc(CN(C(=O)c3nn(-c4ccccc4)nc3C)[C@H](C)C[NH+](C)C)cc2)nc1 ZINC000045201781 562659120 /nfs/dbraw/zinc/65/91/20/562659120.db2.gz MCDPHQINYGGFPU-HSZRJFAPSA-N 2 0 525.701 4.730 1 0 KJAFRP CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000045228038 562659421 /nfs/dbraw/zinc/65/94/21/562659421.db2.gz ZMUIBDKQGDLRIH-FWPKSBLBSA-N 2 0 514.457 4.742 1 0 KJAFRP CC(C)c1cc(N)c2cc(NC(=O)COCC(=O)Nc3ccc4[nH+]c(C(C)C)cc(N)c4c3)ccc2[nH+]1 ZINC000045228047 562659430 /nfs/dbraw/zinc/65/94/30/562659430.db2.gz XPAVTEOAKBJMPC-UHFFFAOYSA-N 2 0 500.603 4.788 1 0 KJAFRP C[C@@H](Cc1ccc(OCC[NH+]2CCN(c3ccccc3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1F ZINC000045230984 562659613 /nfs/dbraw/zinc/65/96/13/562659613.db2.gz RJQWMXDVHDLGRC-DWACAAAGSA-N 2 0 512.069 4.934 1 0 KJAFRP C[C@H](Cc1ccc(OCC[NH+]2CCN(c3ccccc3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1F ZINC000045230988 562659657 /nfs/dbraw/zinc/65/96/57/562659657.db2.gz RJQWMXDVHDLGRC-DFHRPNOPSA-N 2 0 512.069 4.934 1 0 KJAFRP C[C@@H](Cc1ccc(OCC[NH+]2CCN(c3ccccc3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1F ZINC000045230993 562659640 /nfs/dbraw/zinc/65/96/40/562659640.db2.gz RJQWMXDVHDLGRC-RBISFHTESA-N 2 0 512.069 4.934 1 0 KJAFRP C[C@H](Cc1ccc(OCC[NH+]2CCN(c3ccccc3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1F ZINC000045230997 562659652 /nfs/dbraw/zinc/65/96/52/562659652.db2.gz RJQWMXDVHDLGRC-SKCUWOTOSA-N 2 0 512.069 4.934 1 0 KJAFRP CC[NH+]1CCN(C2CC[NH+](Cc3cc4ccc(F)cc4n(CCSc4ccccc4)c3=O)CC2)CC1 ZINC000045319845 562661020 /nfs/dbraw/zinc/66/10/20/562661020.db2.gz YHZDWPJSSRHBAL-UHFFFAOYSA-N 2 0 508.707 4.535 1 0 KJAFRP O=C(c1cccc(COc2ccc3c(c2)CC[N@H+](C2CCCC2)CC3)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000045335171 562661348 /nfs/dbraw/zinc/66/13/48/562661348.db2.gz BFQLRZOHYAZOQI-UHFFFAOYSA-N 2 0 510.682 4.966 1 0 KJAFRP NC(=[NH2+])c1cc2c(cccc2O[C@H](COC(=O)Nc2ccccc2CN2CC[NH2+]CC2)c2ccccc2)s1 ZINC000045356888 562661925 /nfs/dbraw/zinc/66/19/25/562661925.db2.gz XJUKHMPGPODLSN-RUZDIDTESA-N 2 0 529.666 4.959 1 0 KJAFRP NC(=[NH2+])c1cc2c(cccc2O[C@@H](COC(=O)Nc2ccccc2CN2CC[NH2+]CC2)c2ccccc2)s1 ZINC000045356891 562661895 /nfs/dbraw/zinc/66/18/95/562661895.db2.gz XJUKHMPGPODLSN-VWLOTQADSA-N 2 0 529.666 4.959 1 0 KJAFRP CN1CCC=C(c2nsnc2OCCCC[NH2+]CCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000045366550 562662115 /nfs/dbraw/zinc/66/21/15/562662115.db2.gz DVECOLWIOOJDML-UHFFFAOYSA-N 2 0 506.720 4.935 1 0 KJAFRP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCN3CC[NH2+]CC3)c3ccccc23)C1 ZINC000049605048 562665306 /nfs/dbraw/zinc/66/53/06/562665306.db2.gz DTLSHMZSADNLMO-IZEXYCQBSA-N 2 0 627.855 4.874 1 0 KJAFRP Cn1cc(NC(=O)c2ccc(Cc3ccc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCCCC5)n(C)c4)cc3)cc2)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000049639622 562667786 /nfs/dbraw/zinc/66/77/86/562667786.db2.gz UKOKANOSBPUBPI-UHFFFAOYSA-N 2 0 720.919 4.890 1 0 KJAFRP Cn1cc(NC(=O)c2ccc(C(=O)c3ccc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCCCC5)n(C)c4)cc3)cc2)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000049650140 562667990 /nfs/dbraw/zinc/66/79/90/562667990.db2.gz RULXFBYMYBLIEC-UHFFFAOYSA-N 2 0 734.902 4.531 1 0 KJAFRP Cc1ccc2c(c1)nc(N1CC[NH2+][C@H](CCO)C1)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049694428 562669318 /nfs/dbraw/zinc/66/93/18/562669318.db2.gz NZTGQIYRDGSGJX-SSEXGKCCSA-N 2 0 593.776 4.562 1 0 KJAFRP Cc1ccc2c(c1)nc(N1CC[NH2+][C@@H](CCO)C1)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049694429 562669307 /nfs/dbraw/zinc/66/93/07/562669307.db2.gz NZTGQIYRDGSGJX-PMERELPUSA-N 2 0 593.776 4.562 1 0 KJAFRP COc1ccc(S(=O)(=O)N(CCCN2CC[NH+](C)CC2)Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)cc1 ZINC000049710613 562671728 /nfs/dbraw/zinc/67/17/28/562671728.db2.gz WDMBGZSBCIKCIA-UHFFFAOYSA-N 2 0 619.857 4.937 1 0 KJAFRP COc1ccc([C@H](CCC[NH3+])N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049723002 562672812 /nfs/dbraw/zinc/67/28/12/562672812.db2.gz DCILHRAUYUGNNL-GJZUVCINSA-N 2 0 542.680 4.663 1 0 KJAFRP COc1ccc([C@@H](CCC[NH3+])N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049723003 562672789 /nfs/dbraw/zinc/67/27/89/562672789.db2.gz DCILHRAUYUGNNL-ATIYNZHBSA-N 2 0 542.680 4.663 1 0 KJAFRP c1cc(C2=[NH+][C@@H]3CCCC[C@@H]3N2)cc2nc(CCCc3nc4cc(C5=[NH+][C@@H]6CCCC[C@@H]6N5)ccc4[nH]3)[nH]c12 ZINC000049723158 562673003 /nfs/dbraw/zinc/67/30/03/562673003.db2.gz JKRDIYUZAXBYAI-MESAYYPLSA-N 2 0 520.685 4.937 1 0 KJAFRP Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)C[C@@H]([NH3+])CCCC[NH+](C)C)CC4)c3Cl)c2n1 ZINC000049778152 562680965 /nfs/dbraw/zinc/68/09/65/562680965.db2.gz ICRNGOZAIUNYAR-VWLOTQADSA-N 2 0 721.752 4.606 1 0 KJAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC4)c3Cl)c2n1 ZINC000049780050 562681341 /nfs/dbraw/zinc/68/13/41/562681341.db2.gz JGUBUKWSOPEYMS-MHZLTWQESA-N 2 0 721.752 4.524 1 0 KJAFRP NC(=[NH2+])c1ccc(OCc2cccc(COc3ccc(C(N)=[NH2+])cc3I)c2)c(I)c1 ZINC000049780489 562681834 /nfs/dbraw/zinc/68/18/34/562681834.db2.gz QQTXOFVYQMNURU-UHFFFAOYSA-N 2 0 626.236 4.622 1 0 KJAFRP CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049780595 562681970 /nfs/dbraw/zinc/68/19/70/562681970.db2.gz SANOPUNPVBKWLA-DEOSSOPVSA-N 2 0 611.750 4.846 1 0 KJAFRP O=C(CSc1cc(-c2nn(C[C@@H](O)C[NH+]3CCC(c4ccccn4)CC3)c3c2C[NH2+]CC3)ccc1C(F)(F)F)N1CCCC1 ZINC000049780925 562682485 /nfs/dbraw/zinc/68/24/85/562682485.db2.gz SZNPKYOGIQSLQI-DEOSSOPVSA-N 2 0 628.765 4.565 1 0 KJAFRP O=C(CSc1cc(-c2nn(C[C@H](O)C[NH+]3CCC(c4ccccn4)CC3)c3c2C[NH2+]CC3)ccc1C(F)(F)F)N1CCCC1 ZINC000049780928 562682426 /nfs/dbraw/zinc/68/24/26/562682426.db2.gz SZNPKYOGIQSLQI-XMMPIXPASA-N 2 0 628.765 4.565 1 0 KJAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2CCC[NH+]2CCCC2)C1 ZINC000049781288 562682877 /nfs/dbraw/zinc/68/28/77/562682877.db2.gz RAFFGDHKYQUVSW-UHFFFAOYSA-N 2 0 599.789 4.951 1 0 KJAFRP C[N@@H+]1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000049781327 562682939 /nfs/dbraw/zinc/68/29/39/562682939.db2.gz MHDGQTOZQLQWQP-HSZRJFAPSA-N 3 0 583.740 4.930 1 0 KJAFRP C[N@@H+]1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049781329 562682954 /nfs/dbraw/zinc/68/29/54/562682954.db2.gz MHDGQTOZQLQWQP-QHCPKHFHSA-N 3 0 583.740 4.930 1 0 KJAFRP c1ccc(N2[C@@H]3[C@H]4CC[N@@H+]5CC6=CCO[C@H]([C@@H]3[C@H]6C[C@@H]45)N3c4ccccc4[C@@]45CC[NH+]6CC7=CCO[C@@H]2[C@@H]([C@H]34)[C@H]7C[C@H]65)cc1 ZINC000049781910 562683119 /nfs/dbraw/zinc/68/31/19/562683119.db2.gz VDEOWAISRHKINC-MPCDFULNSA-N 2 0 586.780 4.631 1 0 KJAFRP O=C(NCC[NH+]1CCCCC1)c1ccc(-c2csc3nc(-c4ccc(OCC[NH+]5CCCC5)cc4)nn23)cc1 ZINC000049785180 562683909 /nfs/dbraw/zinc/68/39/09/562683909.db2.gz RSEMSXWWQYTSTK-UHFFFAOYSA-N 2 0 544.725 4.815 1 0 KJAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049793101 562684618 /nfs/dbraw/zinc/68/46/18/562684618.db2.gz MRAQDBTZXFDPPN-UHFFFAOYSA-N 2 0 696.906 4.942 1 0 KJAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCC4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049802163 562685496 /nfs/dbraw/zinc/68/54/96/562685496.db2.gz UUTGEWBMLRYYBX-UHFFFAOYSA-N 2 0 682.879 4.551 1 0 KJAFRP C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049823199 562687085 /nfs/dbraw/zinc/68/70/85/562687085.db2.gz UALACBUTVHAKIU-VSVILQIWSA-N 2 0 743.946 4.916 1 0 KJAFRP Nc1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6nc(N7CC[NH+](CCO)CC7)ccc6nc5-c5ccccc5)cc4)CC3)n2)cn1 ZINC000049832770 562687256 /nfs/dbraw/zinc/68/72/56/562687256.db2.gz OWUIQMLTTIDFOA-UHFFFAOYSA-N 2 0 667.822 4.615 1 0 KJAFRP CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1 ZINC000049841269 562688179 /nfs/dbraw/zinc/68/81/79/562688179.db2.gz QQBIHVNKZCDPGZ-QPPIDDCLSA-N 2 0 719.993 4.939 1 0 KJAFRP COc1ccc(C[C@H]([NH3+])C(=O)NCCc2cc(Br)c(OCCC[NH+](C)C)c(Br)c2)cc1Br ZINC000049850747 562688733 /nfs/dbraw/zinc/68/87/33/562688733.db2.gz CPOMDHYOIBOZBW-FQEVSTJZSA-N 2 0 636.223 4.542 1 0 KJAFRP C[NH2+][C@@H](Cc1ccc(OC)c(Br)c1)C(=O)NCCc1cc(Br)c(OCCC[NH+](C)C)c(Br)c1 ZINC000049850771 562688735 /nfs/dbraw/zinc/68/87/35/562688735.db2.gz MNNHZXNEKPRDII-NRFANRHFSA-N 2 0 650.250 4.803 1 0 KJAFRP COc1cc(OC)c2c(=O)cc(-c3ccc(OCCC[NH+]4CCCCC4)c(NC(=O)CCC[NH+](C)C)c3)n(C)c2c1 ZINC000049867754 562689662 /nfs/dbraw/zinc/68/96/62/562689662.db2.gz YITOOGKJZSXPTB-UHFFFAOYSA-N 2 0 564.727 4.758 1 0 KJAFRP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN(C)CCC[NH+](C)C)c4)ccc3F)c2)CC[NH2+]1 ZINC000049881603 562690951 /nfs/dbraw/zinc/69/09/51/562690951.db2.gz CIASUTYANWXVKR-VWLOTQADSA-N 2 0 545.747 4.600 1 0 KJAFRP C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000049889576 562692223 /nfs/dbraw/zinc/69/22/23/562692223.db2.gz YUBOSJOKXBRQQG-UYQVSLPBSA-N 2 0 725.956 4.777 1 0 KJAFRP C[NH+](C)CCNc1ccc2c3c1cccc3C(=O)N(CCC[NH+](C)CCCN1C(=O)c3cccc4c(NCC[NH+](C)C)ccc(c43)C1=O)C2=O ZINC000049898166 562692272 /nfs/dbraw/zinc/69/22/72/562692272.db2.gz CRYHXBQIATUNST-UHFFFAOYSA-N 3 0 677.850 4.544 1 0 KJAFRP C[NH+](C)CCN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ncccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049898192 562692320 /nfs/dbraw/zinc/69/23/20/562692320.db2.gz RYXOAESHQJGFTN-UHFFFAOYSA-N 2 0 680.865 4.997 1 0 KJAFRP C[NH+](C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ncccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049898634 562692714 /nfs/dbraw/zinc/69/27/14/562692714.db2.gz KCKHZWAYCSMWGI-UHFFFAOYSA-N 2 0 680.865 4.997 1 0 KJAFRP C[NH+](C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccc(=O)[nH]c7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049898780 562692821 /nfs/dbraw/zinc/69/28/21/562692821.db2.gz CWUDLXZBRGPIJV-UHFFFAOYSA-N 2 0 695.876 4.895 1 0 KJAFRP C/C=C1/C[N@@H+]2[C@@H]([C@@H]3C(=O)N4c5ccccc5[C@@]56CC[NH+]7CC8=CCO[C@@H]3[C@@H]([C@H]45)[C@H]8C[C@H]76)C[C@]34c5ccccc5N5C(=O)CC=C([C@H]53)[C@H]1C[C@H]24 ZINC000049899412 562693089 /nfs/dbraw/zinc/69/30/89/562693089.db2.gz PXWJNFJRUYWQOX-DSNAYJLUSA-N 2 0 650.823 4.725 1 0 in-vitro KJAFRP C[NH+]1CCN(CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)S(=O)(=O)c2ccccc2)CC1 ZINC000049917848 562693979 /nfs/dbraw/zinc/69/39/79/562693979.db2.gz VQKBURCXJDTFSJ-UHFFFAOYSA-N 2 0 589.831 4.928 1 0 KJAFRP Cc1nn(-c2ccccc2)nc1C(=O)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccc(S(C)(=O)=O)cc3)cn2)cc1)[C@@H](C)C[NH+](C)C ZINC000049917909 562694122 /nfs/dbraw/zinc/69/41/22/562694122.db2.gz WZZSMEAJXVLRPJ-MHZLTWQESA-N 2 0 665.864 4.966 1 0 KJAFRP Cc1nn(-c2ccccc2)nc1C(=O)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccc(S(C)(=O)=O)cc3)cn2)cc1)[C@H](C)C[NH+](C)C ZINC000049917910 562694147 /nfs/dbraw/zinc/69/41/47/562694147.db2.gz WZZSMEAJXVLRPJ-HHHXNRCGSA-N 2 0 665.864 4.966 1 0 KJAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)C[C@@H]([NH3+])CCC[NH+](C)C)CC4)c3Cl)c2n1 ZINC000049937610 562694971 /nfs/dbraw/zinc/69/49/71/562694971.db2.gz BYOMNESVGLGCIF-DEOSSOPVSA-N 2 0 721.752 4.524 1 0 KJAFRP Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=[NH2+])NCCCCCC[NH3+])CC4)c3Cl)c2n1 ZINC000049937617 562694938 /nfs/dbraw/zinc/69/49/38/562694938.db2.gz UMGLRMIUCPVNGK-UHFFFAOYSA-N 2 0 692.714 4.674 1 0 KJAFRP CC(C)(C)c1cc(NC(=O)C[NH3+])c(SCC[NH3+])c(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)C[NH3+])c3SCC[NH3+])c2)c1 ZINC000049938248 562695180 /nfs/dbraw/zinc/69/51/80/562695180.db2.gz ZYBRVVSYNDGPKF-UHFFFAOYSA-N 4 0 722.982 4.682 1 0 KJAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)C[C@@H]([NH3+])CCCC[NH+](C)C)CC4)c3Cl)c2n1 ZINC000049938379 562695218 /nfs/dbraw/zinc/69/52/18/562695218.db2.gz JPVASVOBUOCTKT-VWLOTQADSA-N 2 0 735.779 4.914 1 0 KJAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=[NH2+])NCCC[NH+](C)C)CC5)CCCC4)c3Cl)c2n1 ZINC000049947034 562695692 /nfs/dbraw/zinc/69/56/92/562695692.db2.gz GRBKYJHPFBQCDR-UHFFFAOYSA-N 2 0 718.752 4.949 1 0 KJAFRP CC(=O)N(C[C@H](CC(C)C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000058519681 562698478 /nfs/dbraw/zinc/69/84/78/562698478.db2.gz NRXOSRAXRKFLQU-DOEKTCAHSA-N 2 0 534.736 4.595 1 0 KJAFRP CC(C)[NH2+]C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000058534571 562698668 /nfs/dbraw/zinc/69/86/68/562698668.db2.gz FVKCEDJRQYZWOJ-REUBFRLUSA-N 2 0 518.737 4.870 1 0 KJAFRP Oc1ccc2c3c1O[C@H]1c4sc5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@H+]2CC1CC1)[C@H]5O4 ZINC000058538189 562698763 /nfs/dbraw/zinc/69/87/63/562698763.db2.gz NQNVFVDZFZCYFC-YAUKWVCOSA-N 2 0 678.851 4.558 1 0 KJAFRP CCC[NH+](CCCCCC[N@@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC000058635261 562701174 /nfs/dbraw/zinc/70/11/74/562701174.db2.gz XBMBHXSIWSUYDK-MHZLTWQESA-N 2 0 529.791 4.863 1 0 KJAFRP CN1CC[NH+](CCC(=O)N[C@@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058660445 562701402 /nfs/dbraw/zinc/70/14/02/562701402.db2.gz QYIQPSSWHKZILG-UZBSQRRVSA-N 2 0 514.758 4.715 1 0 KJAFRP CCC[NH+]1CCC(N2C[C@@H]([NH2+]Cc3ccc(OCc4ccccc4)cc3)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000059790637 562702253 /nfs/dbraw/zinc/70/22/53/562702253.db2.gz CTZFANYEKDIXBZ-DITALETJSA-N 2 0 598.788 4.760 1 0 KJAFRP CC(C)[NH2+]C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000062213092 562704423 /nfs/dbraw/zinc/70/44/23/562704423.db2.gz FVKCEDJRQYZWOJ-ZRRKCSAHSA-N 2 0 518.737 4.870 1 0 KJAFRP CC(=O)N(C[C@@H](CC(C)C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000062213096 562704402 /nfs/dbraw/zinc/70/44/02/562704402.db2.gz NRXOSRAXRKFLQU-FXVJXKIMSA-N 2 0 534.736 4.595 1 0 KJAFRP Cc1ccc(F)cc1Oc1c(C(=O)N2CC[NH2+]CC2)c2ccc(OCC[NH+](C)C)cc2n1-c1ccccc1 ZINC000064512128 562706218 /nfs/dbraw/zinc/70/62/18/562706218.db2.gz KKDOIFGJXXIEDL-UHFFFAOYSA-N 2 0 516.617 4.856 1 0 KJAFRP Cc1cc(C(C)(C)c2cc(C)c(OC[C@H](O)C[NH+]3CCCC3)c(C)c2)cc(C)c1OC[C@H](O)C[NH+]1CCCC1 ZINC000064512645 562706282 /nfs/dbraw/zinc/70/62/82/562706282.db2.gz BMBWJHRGNPPREO-LOYHVIPDSA-N 2 0 538.773 4.917 1 0 KJAFRP Cc1cc(C(C)(C)c2cc(C)c(OC[C@@H](O)C[NH+]3CCCC3)c(C)c2)cc(C)c1OC[C@H](O)C[NH+]1CCCC1 ZINC000064512648 562706267 /nfs/dbraw/zinc/70/62/67/562706267.db2.gz BMBWJHRGNPPREO-RNPORBBMSA-N 2 0 538.773 4.917 1 0 KJAFRP Cc1cc(C(C)(C)c2cc(C)c(OC[C@@H](O)C[NH+]3CCCC3)c(C)c2)cc(C)c1OC[C@@H](O)C[NH+]1CCCC1 ZINC000064512650 562706289 /nfs/dbraw/zinc/70/62/89/562706289.db2.gz BMBWJHRGNPPREO-KYJUHHDHSA-N 2 0 538.773 4.917 1 0 KJAFRP C[NH+](C)CCN1CCN(C(=O)C(C[NH3+])(Cc2ccc(C(C)(C)C)cc2)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000066078587 562710482 /nfs/dbraw/zinc/71/04/82/562710482.db2.gz FXHOKTWISZVYNG-UHFFFAOYSA-N 2 0 520.806 4.718 1 0 KJAFRP COc1ccccc1C(c1ccc(NC(=O)C[NH+]2CCCC2)cc1)c1ccc(NC(=O)C[NH+]2CCCC2)cc1 ZINC000066098774 562710984 /nfs/dbraw/zinc/71/09/84/562710984.db2.gz GACLFVGZEIKQML-UHFFFAOYSA-N 2 0 526.681 4.944 1 0 KJAFRP Nc1cc(C[NH+]2CCC(F)(C(=O)N3CCC([NH+]4Cc5ccccc5-c5ccccc5C4)CC3)CC2)ccn1 ZINC000068200704 562715932 /nfs/dbraw/zinc/71/59/32/562715932.db2.gz NEPGOHXZJPYLLQ-UHFFFAOYSA-N 2 0 513.661 4.642 1 0 KJAFRP CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc([C@H](C)[NH3+])c1 ZINC000070631559 562716427 /nfs/dbraw/zinc/71/64/27/562716427.db2.gz HENCXFZEUKJRBP-IBJFMNDQSA-N 2 0 610.746 4.747 1 0 KJAFRP CC(C)(C)c1ccc(NC(=O)CC[NH3+])c(-c2ccc(-c3cc(C(C)(C)C)ccc3NC(=O)CC[NH3+])nn2)c1 ZINC000071295359 562717228 /nfs/dbraw/zinc/71/72/28/562717228.db2.gz VHEYVXNAYVDMRK-UHFFFAOYSA-N 2 0 516.690 4.980 1 0 KJAFRP CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(CC[NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C ZINC000071317567 562718259 /nfs/dbraw/zinc/71/82/59/562718259.db2.gz NZHNIGYHUYTHPF-ZUKKLESISA-N 2 0 583.795 4.976 1 0 KJAFRP COc1cc2c(cc1OC)CN(c1cc[n+](Cc3ccc(C[n+]4ccc(N5CCCCC5)cc4)cc3)cc1)CC2 ZINC000071331639 562719327 /nfs/dbraw/zinc/71/93/27/562719327.db2.gz UOZATCLUCGFJDA-UHFFFAOYSA-N 2 0 536.720 4.928 1 0 KJAFRP OC(Cn1c[n+](CCOc2ccc3ccccc3c2)cn1)(Cn1c[n+](CCOc2ccc3ccccc3c2)cn1)c1ccc(F)cc1F ZINC000072105373 562720782 /nfs/dbraw/zinc/72/07/82/562720782.db2.gz ODPXGXSNKGEDQJ-UHFFFAOYSA-N 2 0 648.714 4.985 1 0 KJAFRP O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)C(c2ccccc2)=C(c2ccccc2)C1=O ZINC000072113270 562722295 /nfs/dbraw/zinc/72/22/95/562722295.db2.gz MKBUBBXZSVSVOX-UHFFFAOYSA-N 2 0 624.741 4.515 1 0 KJAFRP O=C1C(c2cccs2)=C(c2cccs2)C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)C(c2cccs2)=C(c2cccs2)C1=O ZINC000072113638 562722410 /nfs/dbraw/zinc/72/24/10/562722410.db2.gz ALRNHVOBLPYINB-UHFFFAOYSA-N 2 0 648.857 4.761 1 0 KJAFRP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCCCC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072116763 562723219 /nfs/dbraw/zinc/72/32/19/562723219.db2.gz LNNUARHMSLSGCH-UHFFFAOYSA-N 2 0 510.727 4.778 1 0 KJAFRP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCC[N@@H+](C(C)C)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072116871 562723237 /nfs/dbraw/zinc/72/32/37/562723237.db2.gz FAZCSGKZKWJHTF-UHFFFAOYSA-N 3 0 567.823 4.708 1 0 KJAFRP COc1cc2c(cc1OCCOCC[NH+](C)C)nc(C1CCCCC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072118725 562723648 /nfs/dbraw/zinc/72/36/48/562723648.db2.gz AOUKSAFLYFTXJC-UHFFFAOYSA-N 2 0 513.727 4.928 1 0 KJAFRP COc1ccccc1N1CC[NH+](CCCCN2C(=O)N3CCC[C@@]3(CC[NH2+]CCCCCNS(=O)(=O)c3cccc4c3cccc4N(C)C)C2=O)CC1 ZINC000072131630 562726707 /nfs/dbraw/zinc/72/67/07/562726707.db2.gz AIYJDZKQHORDMD-RRHRGVEJSA-N 2 0 748.007 4.742 1 0 KJAFRP COc1ccccc1N1CC[NH+](CCCCN2C(=O)N3CCC[C@]3(CC[NH2+]CCCCCNS(=O)(=O)c3cccc4c3cccc4N(C)C)C2=O)CC1 ZINC000072131631 562726699 /nfs/dbraw/zinc/72/66/99/562726699.db2.gz AIYJDZKQHORDMD-FAIXQHPJSA-N 2 0 748.007 4.742 1 0 KJAFRP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@@H+]2C[C@]4(C[C@@H]5C[C@]67CCO[C@H]6CC[NH+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@H]58)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000072173284 562730889 /nfs/dbraw/zinc/73/08/89/562730889.db2.gz IWNZQRZTZRLAFI-AYMQSLGUSA-N 2 0 702.896 4.842 1 0 KJAFRP COc1c(OC2CC[NH+](C)CC2)ccc2cc(NC(=O)C/C=C/CC(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(OC)c4oc3=O)c(=O)oc21 ZINC000072180604 562732563 /nfs/dbraw/zinc/73/25/63/562732563.db2.gz SNEGKIFFYNDHFA-AATRIKPKSA-N 2 0 716.788 4.776 1 0 KJAFRP C[NH+]1CCN(CCC(=O)O[C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073200200 562736114 /nfs/dbraw/zinc/73/61/14/562736114.db2.gz YPHHCBORUIYXQN-GJTYJFQVSA-N 2 0 501.715 4.752 1 0 KJAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1ccc(Cl)cc1 ZINC000082181660 562741843 /nfs/dbraw/zinc/74/18/43/562741843.db2.gz OTQBPUFJWXXQDR-MCWJOJKXSA-N 2 0 644.260 4.978 1 0 KJAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1ccc(C)cc1 ZINC000082181706 562741866 /nfs/dbraw/zinc/74/18/66/562741866.db2.gz NTONSIJVBYVWAO-ORDGYQPLSA-N 2 0 623.842 4.633 1 0 KJAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1cc(F)cc(F)c1 ZINC000082181754 562741961 /nfs/dbraw/zinc/74/19/61/562741961.db2.gz IJARXYCZSFMVRI-ANAOGEIGSA-N 2 0 645.795 4.603 1 0 KJAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1ccccc1C ZINC000082182092 562742067 /nfs/dbraw/zinc/74/20/67/562742067.db2.gz QYECFARCXNQNIC-ZUYLYXQESA-N 2 0 623.842 4.633 1 0 KJAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1cccc(C)c1 ZINC000082182121 562742101 /nfs/dbraw/zinc/74/21/01/562742101.db2.gz QEYBJXMORXQWQF-ORDGYQPLSA-N 2 0 623.842 4.633 1 0 KJAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1ccccc1Cl ZINC000082182190 562742144 /nfs/dbraw/zinc/74/21/44/562742144.db2.gz IPLZSZYYIDNCKU-VMVDRLPDSA-N 2 0 644.260 4.978 1 0 KJAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1cccc(Cl)c1 ZINC000082182191 562742176 /nfs/dbraw/zinc/74/21/76/562742176.db2.gz LUTNLDZCVBTUNF-MCWJOJKXSA-N 2 0 644.260 4.978 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCCN3CC[NH+](C4CCCCC4)CC3)c2)C1C(=O)OC ZINC000084410028 562743027 /nfs/dbraw/zinc/74/30/27/562743027.db2.gz BRCOHFWXLLNYRS-SVNRFNMRSA-N 2 0 567.731 4.570 1 0 KJAFRP C[NH+](C)CCCNc1nc2ccccc2c(NCc2ccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)cc2)n1 ZINC000084586663 562743430 /nfs/dbraw/zinc/74/34/30/562743430.db2.gz PISIDYIMJYUTHL-UHFFFAOYSA-N 2 0 566.754 4.605 1 0 KJAFRP NC(=[NH2+])c1ccc(OCc2ccc(COc3ccc(C(N)=[NH2+])cc3I)cc2)c(I)c1 ZINC000084597020 562743896 /nfs/dbraw/zinc/74/38/96/562743896.db2.gz YGBZFHXWPPQSHR-UHFFFAOYSA-N 2 0 626.236 4.622 1 0 KJAFRP Brc1cnc2nc(-c3ccc(OCC[NH+]4CCCCC4)cc3)[nH]c2c1NCC1CC[NH2+]CC1 ZINC000084597044 562743910 /nfs/dbraw/zinc/74/39/10/562743910.db2.gz BRHAIUXYHUZNFP-UHFFFAOYSA-N 2 0 513.484 4.664 1 0 KJAFRP Cc1c(N2CC[NH+](C)CC2)nc2ccccc2c1C(=O)NCCCCCCNC(=O)c1c(C)c(N2CC[NH+](C)CC2)nc2ccccc21 ZINC000084604207 562744280 /nfs/dbraw/zinc/74/42/80/562744280.db2.gz KSCRMMICZJKBQC-UHFFFAOYSA-N 2 0 650.872 4.624 1 0 KJAFRP C[NH+](C)CCCNc1c2[nH]c(-c3ccc(OCC[NH+]4CCCCC4)cc3)nc2ncc1Br ZINC000084616425 562744610 /nfs/dbraw/zinc/74/46/10/562744610.db2.gz WMTSXEYIPRFKBI-UHFFFAOYSA-N 2 0 501.473 4.616 1 0 KJAFRP Cc1ccc2nc(N3CC[NH2+][C@H](C)C3)nc(NCc3ccc(C(=O)NC4CC[NH+](Cc5ccc(F)cc5)CC4)cc3)c2c1 ZINC000084617372 562744859 /nfs/dbraw/zinc/74/48/59/562744859.db2.gz BDMDIJOFUXIRPP-XMMPIXPASA-N 2 0 581.740 4.882 1 0 KJAFRP Cc1ccc2nc(N3CC[NH2+][C@@H](C)C3)nc(NCc3ccc(C(=O)NC4CC[NH+](Cc5ccc(F)cc5)CC4)cc3)c2c1 ZINC000084617374 562744862 /nfs/dbraw/zinc/74/48/62/562744862.db2.gz BDMDIJOFUXIRPP-DEOSSOPVSA-N 2 0 581.740 4.882 1 0 KJAFRP O=C(C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084618929 562745158 /nfs/dbraw/zinc/74/51/58/562745158.db2.gz GXBKCQLXHVBEPU-XIFFEERXSA-N 2 0 625.818 4.532 1 0 KJAFRP O=C(C[NH+]1CCCCC1)Nc1cc2c3cc(NC(=O)C[NH+]4CCCCC4)cc(-n4cccn4)c3[nH]c2c(-n2cccn2)c1 ZINC000084670677 562748374 /nfs/dbraw/zinc/74/83/74/562748374.db2.gz SFKZFNONWZZMHR-UHFFFAOYSA-N 2 0 579.709 4.541 1 0 KJAFRP O=C(CC[NH+]1CCCC1)Nc1cc2c3cc(NC(=O)CC[NH+]4CCCC4)cc(-n4cccn4)c3[nH]c2c(-n2cccn2)c1 ZINC000084671282 562748498 /nfs/dbraw/zinc/74/84/98/562748498.db2.gz OKDUYAOQGONUIR-UHFFFAOYSA-N 2 0 579.709 4.541 1 0 KJAFRP Cc1c(Cl)ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCC(=O)N(CCCC[NH+]2CCCC2)Cc2ccc(C(N)=[NH2+])cc2)c1Cl ZINC000084731143 562751687 /nfs/dbraw/zinc/75/16/87/562751687.db2.gz HTHGZBBEMMWAFQ-UHFFFAOYSA-N 2 0 715.748 4.840 1 0 KJAFRP C[C@@H]1[NH2+][C@H]([C@H]2CC[C@@H]3CCCCC[C@@](O)(CC(=O)[O-])C[NH2+][C@@]4(C)CC[NH2+][C@H](Cc5cccc(c5)C[C@@H]3C2)C4)CC[C@H]1O ZINC000085488007 560075928 /nfs/dbraw/zinc/07/59/28/560075928.db2.gz MCSHTMKEPOCUNB-ORDDRWNKSA-N 2 0 583.858 4.576 1 0 biogenic,in-vitro KJAFRP CC[NH2+]COc1cc(OCC[NH2+]C)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO4 ZINC000085567494 565142809 /nfs/dbraw/zinc/14/28/09/565142809.db2.gz KDUGTKIMRLNHGE-BUEDQJMWSA-N 2 0 647.769 4.658 1 0 biogenic,in-vitro KJAFRP CCCCC[C@H](CCC)C[C@H](C[C@@H](OC(=O)[C@H](C[NH2+]C)NC)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1)OC(C)=O ZINC000085596800 560063236 /nfs/dbraw/zinc/06/32/36/560063236.db2.gz FOGGWUYNRZLSDN-CRNZTWHPSA-N 2 0 591.834 4.741 1 0 biogenic,in-vitro KJAFRP CNC(=[NH2+])NC[C@@H]1C[C@H]([C@H](O)C[C@@H](CCc2ccc(O)c(O[C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)c2)OC(C)=O)CC[C@H]1C ZINC000085628172 565161227 /nfs/dbraw/zinc/16/12/27/565161227.db2.gz OUSLTZZRXBOOCR-CZPMYFNSSA-N 2 0 608.824 4.546 1 0 biogenic,in-vitro KJAFRP CC(=O)O[C@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)C[C@@H](O)[C@@H]1CC[C@H](C)[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000085628204 291858054 /nfs/dbraw/zinc/85/80/54/291858054.db2.gz DUZFNRMXAFZEMP-OYSYUENZSA-N 2 0 586.818 4.637 1 0 biogenic,in-vitro KJAFRP CCC1=C[C@@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)CNC(C)=O)C2 ZINC000095539753 562755250 /nfs/dbraw/zinc/75/52/50/562755250.db2.gz MYPWNZJNRVBSTA-WIKZPUGXSA-N 2 0 806.017 4.759 1 0 KJAFRP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CCN(C(=O)C(C)C)CC1 ZINC000095541573 562756199 /nfs/dbraw/zinc/75/61/99/562756199.db2.gz USPDZXURKNYDOA-ROJLCIKYSA-N 2 0 636.281 4.809 1 0 KJAFRP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CCN(C(=O)C(C)C)CC1 ZINC000095541574 562756194 /nfs/dbraw/zinc/75/61/94/562756194.db2.gz USPDZXURKNYDOA-AJQTZOPKSA-N 2 0 636.281 4.809 1 0 KJAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CCNC(=O)CCCC(=O)NCCC2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 ZINC000095543135 562757093 /nfs/dbraw/zinc/75/70/93/562757093.db2.gz WFWSNKCYLXYVKA-UHFFFAOYSA-N 2 0 807.817 4.796 1 0 KJAFRP Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCC[NH2+]C5CCCCC5)c4Cl)cn3C)cn2C)cc1C(=O)NCCCC[NH3+] ZINC000095544658 562757766 /nfs/dbraw/zinc/75/77/66/562757766.db2.gz ASWUUBDQGZUBFI-UHFFFAOYSA-N 2 0 754.362 4.762 1 0 KJAFRP CC[NH+](CC)CCCNCC(=O)Nc1cc(Cl)ccc1-c1nc2ccccc2c(NCCC[NH+](C)C)n1 ZINC000095558537 562762473 /nfs/dbraw/zinc/76/24/73/562762473.db2.gz PRJJLCZUGXXQOP-UHFFFAOYSA-N 2 0 526.129 4.574 1 0 KJAFRP CCC1=C[C@@H]2C[N@H+](C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)CNC(C)=O)C2 ZINC000095559776 562762843 /nfs/dbraw/zinc/76/28/43/562762843.db2.gz FLHQOEVPAYRPSY-BJQMPEKASA-N 2 0 791.990 4.717 1 0 KJAFRP [NH3+]CCCC[C@H]([NH2+][C@H](CNC(=O)NCc1ccc(Cl)cc1Cl)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095564927 562764510 /nfs/dbraw/zinc/76/45/10/562764510.db2.gz POPAXWGWPRBCGS-XCZPVHLTSA-N 2 0 570.565 4.808 1 0 KJAFRP [NH3+]CCCC[C@H]([NH2+][C@@H](CNC(=O)NCc1ccc(Cl)cc1Cl)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095566027 562764746 /nfs/dbraw/zinc/76/47/46/562764746.db2.gz POPAXWGWPRBCGS-IAPPQJPRSA-N 2 0 570.565 4.808 1 0 KJAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCNCCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095574608 562769996 /nfs/dbraw/zinc/76/99/96/562769996.db2.gz MJOASWYRHSZQRG-AIMWIADMSA-N 2 0 549.800 4.929 1 0 KJAFRP CCC1=C[C@H]2C[N@H+](C1)CCc1c3cccc(F)c3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095575808 562770410 /nfs/dbraw/zinc/77/04/10/562770410.db2.gz PMPBXBUAFBJPPJ-AGJHSZMPSA-N 2 0 810.964 4.935 1 0 KJAFRP CCC1=C[C@H]2C[N@H+](C1)CCc1c3cc(F)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095575817 562770479 /nfs/dbraw/zinc/77/04/79/562770479.db2.gz IENQGDZVEMPBEM-AGJHSZMPSA-N 2 0 810.964 4.935 1 0 KJAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCOCCOCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095578756 562771372 /nfs/dbraw/zinc/77/13/72/562771372.db2.gz NWTKQFTXRMPAJC-AIMWIADMSA-N 2 0 566.783 4.592 1 0 KJAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCOCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095579354 562771517 /nfs/dbraw/zinc/77/15/17/562771517.db2.gz YBWGNQBCHVCNFS-BWELLIPCSA-N 2 0 522.730 4.576 1 0 KJAFRP CCC1=C[C@H]2C[N@H+](C1)CCc1c3cc(O)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095579874 562771728 /nfs/dbraw/zinc/77/17/28/562771728.db2.gz HMWKIBTUCVHUOZ-AGJHSZMPSA-N 2 0 808.973 4.502 1 0 KJAFRP CCC1=C[C@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095593155 562776159 /nfs/dbraw/zinc/77/61/59/562776159.db2.gz VRCVDFALKJXNOX-JKVZWNDSSA-N 2 0 780.963 4.630 1 0 KJAFRP CC[C@]12C=CC[NH+]3CCC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000095593285 562776172 /nfs/dbraw/zinc/77/61/72/562776172.db2.gz DSISYKFNZBAGNU-ASWARYRYSA-N 2 0 766.980 4.839 1 0 KJAFRP C[NH+](C)C1CCC(Nc2nc(Nc3cc(Cl)cc(Cl)c3)ncc2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000095593559 562776271 /nfs/dbraw/zinc/77/62/71/562776271.db2.gz SQKBBDOFPPNVCL-UHFFFAOYSA-N 2 0 520.509 4.636 1 0 KJAFRP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cncn1)Cc1cccc(Cl)c1)CCc1cc2c(cc1-3)OCO2 ZINC000095593681 562776323 /nfs/dbraw/zinc/77/63/23/562776323.db2.gz ZXOGUYQKBDLXRB-UHFFFAOYSA-N 2 0 585.084 4.914 1 0 KJAFRP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cncn1)Cc1ccc(Cl)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000095593948 562776366 /nfs/dbraw/zinc/77/63/66/562776366.db2.gz UIWCKVOPCPBOKV-UHFFFAOYSA-N 2 0 585.084 4.914 1 0 KJAFRP CC[C@]1(O)C[C@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CCC[C@@](CC)(C[C@]1(O)C(=O)OC)[C@H]34)C2 ZINC000095594958 562776581 /nfs/dbraw/zinc/77/65/81/562776581.db2.gz RQKNVXDUXUNJOZ-UDMDOTTKSA-N 2 0 754.969 4.673 1 0 KJAFRP CC[C@]12C=CC[NH+]3CCC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@H]32 ZINC000095595549 562776728 /nfs/dbraw/zinc/77/67/28/562776728.db2.gz DSISYKFNZBAGNU-JVHYHWFUSA-N 2 0 766.980 4.839 1 0 KJAFRP COCCc1sc[n+](CCOc2ccc(C(=O)c3ccc(OCC[n+]4csc(CCOC)c4C)cc3)cc2)c1C ZINC000095595837 562776817 /nfs/dbraw/zinc/77/68/17/562776817.db2.gz YYQIEKRWFICHOB-UHFFFAOYSA-N 2 0 582.788 4.768 1 0 KJAFRP Cc1c(CCOCc2cn(CCc3sc[n+](Cc4ccccc4)c3C)nn2)sc[n+]1Cc1ccccc1 ZINC000095596942 562777132 /nfs/dbraw/zinc/77/71/32/562777132.db2.gz HJMZJCQYOZRNOJ-UHFFFAOYSA-N 2 0 531.751 4.692 1 0 KJAFRP C[NH+](C)C1CCC(Nc2nc(NCc3cc(Cl)ccc3Cl)ncc2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000095596994 562777157 /nfs/dbraw/zinc/77/71/57/562777157.db2.gz LQMDBOVNAUGROB-UHFFFAOYSA-N 2 0 534.536 4.504 1 0 KJAFRP O[C@H](C[NH2+]Cc1ccccc1)COc1ccc2c(c1)OCC(c1ccc(OC[C@@H](O)C[NH2+]Cc3ccccc3)cc1)=C2 ZINC000095603171 562780431 /nfs/dbraw/zinc/78/04/31/562780431.db2.gz RPWDMQIOZFECEJ-AJQTZOPKSA-N 2 0 566.698 4.679 1 0 KJAFRP O[C@H](C[NH2+]Cc1ccccc1)COc1ccc(C2=Cc3ccc(OC[C@H](O)C[NH2+]Cc4ccccc4)cc3OC2)cc1 ZINC000095603172 562780386 /nfs/dbraw/zinc/78/03/86/562780386.db2.gz RPWDMQIOZFECEJ-ROJLCIKYSA-N 2 0 566.698 4.679 1 0 KJAFRP O[C@@H](C[NH2+]Cc1ccccc1)COc1ccc(C2=Cc3ccc(OC[C@@H](O)C[NH2+]Cc4ccccc4)cc3OC2)cc1 ZINC000095603173 562780400 /nfs/dbraw/zinc/78/04/00/562780400.db2.gz RPWDMQIOZFECEJ-ACHIHNKUSA-N 2 0 566.698 4.679 1 0 KJAFRP O[C@H](C[NH2+]Cc1ccccc1)COc1ccc(C2=Cc3ccc(OC[C@@H](O)C[NH2+]Cc4ccccc4)cc3OC2)cc1 ZINC000095603174 562780388 /nfs/dbraw/zinc/78/03/88/562780388.db2.gz RPWDMQIOZFECEJ-ZWXJPIIXSA-N 2 0 566.698 4.679 1 0 KJAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(C(=O)NCc2cccc(CNC(=O)C3CC[NH+](CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)c2)CC1 ZINC000095606754 562782394 /nfs/dbraw/zinc/78/23/94/562782394.db2.gz BBFDGHWDPNCAJJ-UHFFFAOYSA-N 2 0 813.780 4.545 1 0 KJAFRP Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCCC[NH3+])c4Cl)cn3C)cn2C)cc1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000095610388 562784365 /nfs/dbraw/zinc/78/43/65/562784365.db2.gz CULHIABVIAJELR-UHFFFAOYSA-N 2 0 754.362 4.762 1 0 KJAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CNC(=O)CCCCCC(=O)NCC2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 ZINC000095612925 562785902 /nfs/dbraw/zinc/78/59/02/562785902.db2.gz BZKYORMHSDKUTC-UHFFFAOYSA-N 2 0 807.817 4.796 1 0 KJAFRP CC[C@]12CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CC[NH+]([C@H]3c5cc6c(cc5O[C@H]3[C@@H]1O)NC1=C(C(=O)OC)C[C@@]3(CC)C=CC[N@H+]5CC[C@]61[C@H]53)[C@@H]42 ZINC000095615238 562787181 /nfs/dbraw/zinc/78/71/81/562787181.db2.gz XVLKCTCGGIJHCK-GXLFRJOSSA-N 2 0 778.903 4.786 1 0 KJAFRP CC[C@@H]1C[C@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095615901 562787642 /nfs/dbraw/zinc/78/76/42/562787642.db2.gz AGKYIOIIEPFTEV-VSBPWMKXSA-N 2 0 794.990 4.876 1 0 KJAFRP [NH2+]=C(NCCCCCCNC(=[NH2+])NC(=[NH2+])Nc1cccc(C(F)(F)F)c1)NC(=[NH2+])Nc1cccc(C(F)(F)F)c1 ZINC000095832079 562789301 /nfs/dbraw/zinc/78/93/01/562789301.db2.gz ZGJWCMOELHEKEL-UHFFFAOYSA-N 4 0 572.562 4.906 1 0 KJAFRP C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095849915 562789489 /nfs/dbraw/zinc/78/94/89/562789489.db2.gz SEVZIESSWVVYFW-YGIZDMHFSA-N 2 0 586.777 4.986 1 0 KJAFRP C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095852698 562789594 /nfs/dbraw/zinc/78/95/94/562789594.db2.gz SEVZIESSWVVYFW-REYAJUCUSA-N 2 0 586.777 4.986 1 0 KJAFRP C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095861906 562789676 /nfs/dbraw/zinc/78/96/76/562789676.db2.gz SEVZIESSWVVYFW-RROHFTNDSA-N 2 0 586.777 4.986 1 0 KJAFRP Cc1cc(C(=O)Nc2ccc(C(=O)Nc3ccc[n+](C)c3)cc2)ccc1C(=O)Nc1ccc(C(=O)Nc2ccc[n+](C)c2)cc1 ZINC000095891058 562790229 /nfs/dbraw/zinc/79/02/29/562790229.db2.gz CQQQKOFVXMNFQG-UHFFFAOYSA-P 2 0 600.679 4.653 1 0 KJAFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)cc4)cc3)cc2)c1 ZINC000095891070 562790249 /nfs/dbraw/zinc/79/02/49/562790249.db2.gz VSGQNSWRADKEQJ-AWQFTUOYSA-P 2 0 612.690 4.744 1 0 KJAFRP Cc1cc(C(=O)Nc2ccc(C(=O)Nc3ccc[n+](C)c3)cc2)c(C)cc1C(=O)Nc1ccc(C(=O)Nc2ccc[n+](C)c2)cc1 ZINC000095891158 562790248 /nfs/dbraw/zinc/79/02/48/562790248.db2.gz NHYFWKHAQWWJMI-UHFFFAOYSA-P 2 0 614.706 4.962 1 0 KJAFRP Cc1c(C)c(C(=O)Nc2ccc(C(=O)Nc3ccc[n+](C)c3)cc2)ccc1C(=O)Nc1ccc(C(=O)Nc2ccc[n+](C)c2)cc1 ZINC000095891159 562790241 /nfs/dbraw/zinc/79/02/41/562790241.db2.gz ITUIAGADXNSDEF-UHFFFAOYSA-P 2 0 614.706 4.962 1 0 KJAFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)cc4)c(Cl)c3)cc2)c1 ZINC000095891187 562790231 /nfs/dbraw/zinc/79/02/31/562790231.db2.gz CLRFUKJOCMPAPI-UHFFFAOYSA-P 2 0 621.097 4.998 1 0 KJAFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CC)c5)cc4)c(N)c3)cc2)c1 ZINC000095891246 562790232 /nfs/dbraw/zinc/79/02/32/562790232.db2.gz CWYYVXSSUKMZBC-UHFFFAOYSA-P 2 0 629.721 4.893 1 0 KJAFRP CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCC)c5)c(N)c4)c(N)c3)cc2N)c1 ZINC000095891247 562790245 /nfs/dbraw/zinc/79/02/45/562790245.db2.gz AUNMLVBESCZJQA-UHFFFAOYSA-P 2 0 687.805 4.837 1 0 KJAFRP C[NH+]1CCN(c2cccc(N(c3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(F)cn4n3)c3cccc(N4CC[NH+](C)CC4)c3)c2)CC1 ZINC000096169628 562790715 /nfs/dbraw/zinc/79/07/15/562790715.db2.gz JTPYGGJDTQRWES-UHFFFAOYSA-N 2 0 654.816 4.912 1 0 KJAFRP C[NH+](C)CCCNc1nc(-c2ccccc2NC(=O)c2ccc(NC(=O)CC[NH2+]CCC[NH+](C)C)cc2)nc2ccccc21 ZINC000096258046 562792840 /nfs/dbraw/zinc/79/28/40/562792840.db2.gz ROPXWCQJTZHRDR-UHFFFAOYSA-N 3 0 596.780 4.783 1 0 KJAFRP O=C(c1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c(-c2ccccc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000096284385 562795136 /nfs/dbraw/zinc/79/51/36/562795136.db2.gz MDMZPCZMVQJPHJ-UHFFFAOYSA-N 2 0 514.714 4.754 1 0 KJAFRP O=C(c1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c(Oc2ccccc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000096284386 562795110 /nfs/dbraw/zinc/79/51/10/562795110.db2.gz ZLXWPCBVLILWIW-UHFFFAOYSA-N 2 0 530.713 4.880 1 0 KJAFRP O=C(c1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c(Cc2ccccc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000096284387 562795129 /nfs/dbraw/zinc/79/51/29/562795129.db2.gz IQFNTVZARNOVIR-UHFFFAOYSA-N 2 0 528.741 4.678 1 0 KJAFRP O=C(c1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c(NCc2ccccc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000096284388 562795112 /nfs/dbraw/zinc/79/51/12/562795112.db2.gz OVRNYUBVMFXXBA-UHFFFAOYSA-N 2 0 543.756 4.700 1 0 KJAFRP O=c1cc(OCCCN2CC[NH+](CCCNc3c4ccccc4[nH+]c4c3CCCC4)CC2)cc2occc(O)c1-2 ZINC000096285552 562795872 /nfs/dbraw/zinc/79/58/72/562795872.db2.gz CCSIEQWILAQNOJ-UHFFFAOYSA-N 2 0 542.680 4.814 1 0 KJAFRP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(C1CCOCC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000096285773 562795921 /nfs/dbraw/zinc/79/59/21/562795921.db2.gz HUEIPJNFEQRZDV-UHFFFAOYSA-N 2 0 511.711 4.682 1 0 KJAFRP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCC(F)(F)CC1)nc2NC1CC[NH+](C2CC2)CC1 ZINC000096285774 562795924 /nfs/dbraw/zinc/79/59/24/562795924.db2.gz JQGOVQUEQSAZSW-UHFFFAOYSA-N 2 0 544.691 4.777 1 0 KJAFRP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CC(F)(F)C(F)(F)C1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000096285778 562795916 /nfs/dbraw/zinc/79/59/16/562795916.db2.gz PILLSKXLPRVYLP-UHFFFAOYSA-N 2 0 568.660 4.878 1 0 KJAFRP CC(=O)O[C@]12Cc3c4c([nH]c3[C@@H]3Oc5c6c(ccc5O)C[C@H]1[NH+](CC1CC1)CC[C@]632)[C@@H]1Oc2c3c(ccc2O)C[C@H]2[N@@H+](CC5CC5)CC[C@]31[C@@]2(OC(C)=O)C4 ZINC000096900295 562796786 /nfs/dbraw/zinc/79/67/86/562796786.db2.gz BQTOPTJFSMCLPE-CTHHFRLWSA-N 2 0 745.873 4.966 1 0 KJAFRP CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[NH+](C[C@@H]8CCC[C@@H]87)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000096904529 562798378 /nfs/dbraw/zinc/79/83/78/562798378.db2.gz BVZJASHAPBDRHL-OWNQDPBWSA-N 2 0 807.001 4.876 1 0 KJAFRP CC[NH+](CC)CCC(=O)N[C@@H]1CC2([NH+]3CCN(C)CC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000096921598 562801491 /nfs/dbraw/zinc/80/14/91/562801491.db2.gz MMLSKBCFIQUZJJ-GJTYJFQVSA-N 2 0 502.747 4.571 1 0 KJAFRP CN1CC[NH+](C23C[C@@H](NC(=O)CC[NH+]4CCCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000096921604 562801475 /nfs/dbraw/zinc/80/14/75/562801475.db2.gz LPFZQPFLCRPGJK-WYJFYEORSA-N 2 0 514.758 4.715 1 0 KJAFRP CCC[NH+](CCC)C[C@@H](O)COc1ccc2c(c1)C(=O)c1cc(OC[C@@H](O)C[NH+](CCC)CCC)ccc1-2 ZINC000096927406 562802627 /nfs/dbraw/zinc/80/26/27/562802627.db2.gz AHPLRKWABAAWRJ-PSWAGMNNSA-N 2 0 526.718 4.621 1 0 KJAFRP CCC[NH+](CCC)C[C@@H](O)COc1ccc2c(c1)C(=O)c1cc(OC[C@H](O)C[NH+](CCC)CCC)ccc1-2 ZINC000096927407 562802649 /nfs/dbraw/zinc/80/26/49/562802649.db2.gz AHPLRKWABAAWRJ-DNQXCXABSA-N 2 0 526.718 4.621 1 0 KJAFRP CCC[NH+](CCC)C[C@H](O)COc1ccc2c(c1)C(=O)c1cc(OC[C@@H](O)C[NH+](CCC)CCC)ccc1-2 ZINC000096927408 562802633 /nfs/dbraw/zinc/80/26/33/562802633.db2.gz AHPLRKWABAAWRJ-ZEQRLZLVSA-N 2 0 526.718 4.621 1 0 KJAFRP [NH3+]CCCOc1cccc(-n2cc(-c3ccc4ccc(-c5cn(-c6cccc(OCCC[NH3+])c6)nn5)cc4c3)nn2)c1 ZINC000096933242 562803562 /nfs/dbraw/zinc/80/35/62/562803562.db2.gz RLDVTOIJAXJPIT-UHFFFAOYSA-N 2 0 560.662 4.790 1 0 KJAFRP [NH3+]CCC[NH2+]CCCC[NH2+]CCCN1C(=O)C(c2ccc3ccccc3c2)=C(c2ccc3ccccc3c2)C1=O ZINC000096934623 562803919 /nfs/dbraw/zinc/80/39/19/562803919.db2.gz NEIWVLCAWUTUTG-UHFFFAOYSA-N 3 0 534.704 4.971 1 0 KJAFRP O=C(Cc1ccccc1O)NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCCNC(=O)Cc1ccccc1O ZINC000096935031 562804003 /nfs/dbraw/zinc/80/40/03/562804003.db2.gz KCELOMAULGIILO-UHFFFAOYSA-N 2 0 582.830 4.976 1 0 KJAFRP C[NH+]1CCN(CC[NH2+]Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(OC(F)(F)F)cc2)CC1 ZINC000096938535 562804502 /nfs/dbraw/zinc/80/45/02/562804502.db2.gz RZRAHJSXUFTNNN-UHFFFAOYSA-N 2 0 527.513 4.794 1 0 KJAFRP C[NH+]1CCN(CC[NH2+]Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000096938536 562804516 /nfs/dbraw/zinc/80/45/16/562804516.db2.gz UQPZQFVCIRZJML-UHFFFAOYSA-N 2 0 511.514 4.914 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(C3C(C(=O)OC)C(=C)[NH2+]C(=C)C3C(=O)OC)cc2)C1C(=O)OC ZINC000100028527 562806198 /nfs/dbraw/zinc/80/61/98/562806198.db2.gz WMXPMXSPGANUFU-ZHRKNDQISA-N 2 0 524.570 4.529 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(C3C(C(=O)OC)C(=C)[NH2+]C(=C)C3C(=O)OC)cc2)C1C(=O)OC ZINC000100028530 562806186 /nfs/dbraw/zinc/80/61/86/562806186.db2.gz WMXPMXSPGANUFU-RYANIBKDSA-N 2 0 524.570 4.529 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4C)CC3)c2)C1C(=O)OC ZINC000100058499 562806516 /nfs/dbraw/zinc/80/65/16/562806516.db2.gz PDEMLUCGLJHFDE-SLPYKNDMSA-N 2 0 575.710 4.796 1 0 KJAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4C)CC3)c2)C1C(=O)OC ZINC000100058505 562806517 /nfs/dbraw/zinc/80/65/17/562806517.db2.gz PDEMLUCGLJHFDE-IQKFOVTFSA-N 2 0 575.710 4.796 1 0 KJAFRP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCC[NH+]2CCC(CNS(C)(=O)=O)CC2)c1=O ZINC000101759157 562812089 /nfs/dbraw/zinc/81/20/89/562812089.db2.gz UTTJQYGVCBXTDB-RLPLKTQASA-N 2 0 627.896 4.519 1 0 KJAFRP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCC[NH+]2CCOCC2)c1=O ZINC000101809327 562812160 /nfs/dbraw/zinc/81/21/60/562812160.db2.gz BLFYXJBXIJKCKD-LGKQTMLJSA-N 2 0 522.734 4.590 1 0 KJAFRP CC[NH2+]CC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c4cc(-c5ccc(C[NH+](C)C)cc5)ccc4oc32)cc1 ZINC000103135368 562814449 /nfs/dbraw/zinc/81/44/49/562814449.db2.gz YYIWRADDZFRRKI-UHFFFAOYSA-N 2 0 553.663 4.733 1 0 KJAFRP CC[NH2+]CC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c4cc(-c5ccc6c(c5)CC[N@@H+](C)C6)ccc4oc32)cc1 ZINC000103135371 562814451 /nfs/dbraw/zinc/81/44/51/562814451.db2.gz SUZBXENFNZNMOX-UHFFFAOYSA-N 2 0 565.674 4.659 1 0 KJAFRP CC[NH2+]CC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c4ccc(-c5ccc(C[NH+](C)C)cc5)cc4oc32)cc1 ZINC000103135374 562814428 /nfs/dbraw/zinc/81/44/28/562814428.db2.gz FMIMCCILSQWUOD-UHFFFAOYSA-N 2 0 553.663 4.733 1 0 KJAFRP CC[NH2+]CC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c4ccc(-c5ccc6c(c5)CC[N@@H+](C)C6)cc4oc32)cc1 ZINC000103135377 562814433 /nfs/dbraw/zinc/81/44/33/562814433.db2.gz SPNDPJKIQMYEMJ-UHFFFAOYSA-N 2 0 565.674 4.659 1 0 KJAFRP CO[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]C[C@H](OC)CN7)cc6[nH]5)cc4)[nH]c3c2)=[NH+]C1 ZINC000103251435 562820354 /nfs/dbraw/zinc/82/03/54/562820354.db2.gz FXRXYXYTEUSARA-UHFFFAOYSA-N 2 0 532.648 4.713 1 0 KJAFRP C[NH+]1CCN(c2ccc(-c3ccc4nc5cncc(-c6ccc(N7CC[NH+](C)CC7)cc6)n5c4c3)cc2)CC1 ZINC000103266977 562822402 /nfs/dbraw/zinc/82/24/02/562822402.db2.gz KQFFSSYWPVJGFN-UHFFFAOYSA-N 2 0 517.681 4.720 1 0 KJAFRP NC(=[NH2+])c1ccc(Oc2cc(NS(=O)(=O)c3ccc(F)cc3)cc(Oc3ccc(C(N)=[NH2+])cc3)c2)cc1 ZINC000114707230 562828428 /nfs/dbraw/zinc/82/84/28/562828428.db2.gz DWNLSMDTBSOQMH-UHFFFAOYSA-N 2 0 519.558 4.779 1 0 KJAFRP Cc1nn(-c2ncccc2C[NH+](C)C)cc1C[NH+]1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 ZINC000117174092 562829675 /nfs/dbraw/zinc/82/96/75/562829675.db2.gz SFDJJTZAEMARIW-UHFFFAOYSA-N 2 0 508.038 4.966 1 0 KJAFRP CC[NH+](CC)CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117327573 562829741 /nfs/dbraw/zinc/82/97/41/562829741.db2.gz JJKBINGTQKJVAP-MHZLTWQESA-N 2 0 534.166 4.679 1 0 KJAFRP CC[NH+](CC)CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117327577 562829730 /nfs/dbraw/zinc/82/97/30/562829730.db2.gz JJKBINGTQKJVAP-HHHXNRCGSA-N 2 0 534.166 4.679 1 0 KJAFRP O=S(=O)(CCC[NH+]1CCCCC1)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117348222 562829757 /nfs/dbraw/zinc/82/97/57/562829757.db2.gz BYGFMUZDSHTZFM-MUUNZHRXSA-N 2 0 546.177 4.823 1 0 KJAFRP O=S(=O)(CCC[NH+]1CCCCC1)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117348224 562829774 /nfs/dbraw/zinc/82/97/74/562829774.db2.gz BYGFMUZDSHTZFM-NDEPHWFRSA-N 2 0 546.177 4.823 1 0 KJAFRP COc1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(C[NH3+])c1 ZINC000136126034 562831152 /nfs/dbraw/zinc/83/11/52/562831152.db2.gz BBKQWNRTHAAOCF-PMERELPUSA-N 2 0 550.659 4.977 1 0 KJAFRP COc1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(C[NH3+])cc1 ZINC000138675301 562832114 /nfs/dbraw/zinc/83/21/14/562832114.db2.gz SKADTYBOPRWKKH-PMERELPUSA-N 2 0 550.659 4.977 1 0 KJAFRP Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc12 ZINC000140578321 562833164 /nfs/dbraw/zinc/83/31/64/562833164.db2.gz GLDGQUZQFAYCQR-UHFFFAOYSA-N 2 0 634.711 4.789 1 0 KJAFRP C[C@H]1CCCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CC[NH+](CC5CCOCC5)CC4)C3=O)c(F)c2)C1 ZINC000140667905 562833282 /nfs/dbraw/zinc/83/32/82/562833282.db2.gz WVCRGGUDWOGUBV-OZXSUGGESA-N 2 0 512.714 4.524 1 0 KJAFRP C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CC[NH+](CC5CC5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140686044 562833264 /nfs/dbraw/zinc/83/32/64/562833264.db2.gz CKMDQCQDFQXMDO-REWPJTCUSA-N 2 0 504.641 4.997 1 0 KJAFRP C[NH+](C)CCC(=O)N1CCN(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 ZINC000144218406 562835950 /nfs/dbraw/zinc/83/59/50/562835950.db2.gz ILVROSWTCMNMOT-AJFCMVSNSA-N 2 0 632.608 4.505 1 0 KJAFRP C[NH+]1CCN(CCCNC(=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 ZINC000144420513 562836218 /nfs/dbraw/zinc/83/62/18/562836218.db2.gz QBCPQASVBPBTIQ-LIGWSQQPSA-N 2 0 604.598 4.637 1 0 KJAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)C[NH+]2CCCC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000144485986 562836261 /nfs/dbraw/zinc/83/62/61/562836261.db2.gz ZHVWMEBKCWCTFP-RFHZMROGSA-N 2 0 605.582 4.846 1 0 KJAFRP CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(NCC[NH+]4CCCC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146486256 562838619 /nfs/dbraw/zinc/83/86/19/562838619.db2.gz RDACEUVICKCWOY-RUZDIDTESA-N 2 0 533.790 4.718 1 0 KJAFRP CN1CC[C@H]([N@H+](C)CC2CCN(c3nc(NCC[NH+]4CCCC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146486474 562838612 /nfs/dbraw/zinc/83/86/12/562838612.db2.gz RDACEUVICKCWOY-VWLOTQADSA-N 2 0 533.790 4.718 1 0 KJAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CC[NH2+]CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146894257 562838894 /nfs/dbraw/zinc/83/88/94/562838894.db2.gz QWGGQSWRWUTYCU-WZRJCJTJSA-N 2 0 547.502 4.751 1 0 KJAFRP Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+](C)C)cc3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1 ZINC000147082479 562839112 /nfs/dbraw/zinc/83/91/12/562839112.db2.gz PQSDNJCKOHBTOS-MCZWQBSQSA-N 2 0 529.729 4.665 1 0 KJAFRP C[NH+]1CCN(CCCNC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000147084596 562839105 /nfs/dbraw/zinc/83/91/05/562839105.db2.gz MEOBCNLOCHKAIY-OHMLLRHZSA-N 2 0 604.598 4.637 1 0 KJAFRP Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc12 ZINC000148048355 562840001 /nfs/dbraw/zinc/84/00/01/562840001.db2.gz ZPIVRBQBUIRPMR-UHFFFAOYSA-N 2 0 634.711 4.789 1 0 KJAFRP Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc21 ZINC000148331454 562841059 /nfs/dbraw/zinc/84/10/59/562841059.db2.gz UFVAWXSLPRDQSI-UHFFFAOYSA-N 2 0 620.684 4.602 1 0 KJAFRP C[NH+]1CCC(Nc2cc(N3CC[NH+](C)CC3)ccc2C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc32)CC1 ZINC000148764085 562841757 /nfs/dbraw/zinc/84/17/57/562841757.db2.gz HQZLQPMNIPRNBQ-UHFFFAOYSA-N 2 0 573.692 4.942 1 0 KJAFRP C[NH+](C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7cc[n+]([O-])cc7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000150371766 562843366 /nfs/dbraw/zinc/84/33/66/562843366.db2.gz PERUTFYTKYMERA-UHFFFAOYSA-N 2 0 695.876 4.841 1 0 KJAFRP O=c1ccc2c([C@@H](O)C[NH2+]CCc3ccc(CC[NH+]4CCC(Cn5cnc(C(O)(c6ccccc6)c6ccccc6)n5)CC4)cc3)ccc(O)c2[nH]1 ZINC000164942536 562849805 /nfs/dbraw/zinc/84/98/05/562849805.db2.gz HCEFKOKLPKFQMI-LHEWISCISA-N 2 0 698.868 4.930 1 0 KJAFRP COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(N5CC[NH+](CC6CC[NH+](C)CC6)CC5)nc34)c2)cc1C(F)(F)F ZINC000165254597 562849915 /nfs/dbraw/zinc/84/99/15/562849915.db2.gz FXKHIHYOTSLSAE-UHFFFAOYSA-N 2 0 664.737 4.798 1 0 KJAFRP Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3CC[NH+]2CCCC2)cc1Nc1ncnc2cnc(N3CCC[N@@H+](C)CC3)nc21 ZINC000165268549 562850006 /nfs/dbraw/zinc/85/00/06/562850006.db2.gz WLRMBDVZTCUJEG-UHFFFAOYSA-N 2 0 648.816 4.586 1 0 KJAFRP Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc12 ZINC000166170226 562850314 /nfs/dbraw/zinc/85/03/14/562850314.db2.gz XFMKDNKSJYLMGH-UHFFFAOYSA-N 2 0 634.711 4.789 1 0 KJAFRP Cc1ccc(NC(=O)c2cc(N3CC[NH+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CCC[NH+](C)C)nc21 ZINC000166223749 562850390 /nfs/dbraw/zinc/85/03/90/562850390.db2.gz SHGCRXSDCGCEMG-UHFFFAOYSA-N 2 0 636.727 4.883 1 0 KJAFRP CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[NH+](C[C@@H]8CCC[C@@H]87)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000169298258 562852647 /nfs/dbraw/zinc/85/26/47/562852647.db2.gz BVZJASHAPBDRHL-DHXVWPRVSA-N 2 0 807.001 4.876 1 0 KJAFRP CC[NH+](CC)CCC(=O)N[C@@H]1CC2([NH+]3CCN(C)CC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169298842 562852719 /nfs/dbraw/zinc/85/27/19/562852719.db2.gz MMLSKBCFIQUZJJ-ZIQMFUFLSA-N 2 0 502.747 4.571 1 0 KJAFRP CN1CC[NH+](C23C[C@H](NC(=O)CC[NH+]4CCCCC4)C([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000169298851 562852695 /nfs/dbraw/zinc/85/26/95/562852695.db2.gz LPFZQPFLCRPGJK-FXIQUNMDSA-N 2 0 514.758 4.715 1 0 KJAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@@H](CC(=O)NCc3ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307079 562853680 /nfs/dbraw/zinc/85/36/80/562853680.db2.gz GHNOAVACUUOLQQ-DIPNUNPCSA-N 2 0 757.983 4.514 1 0 KJAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@H](CC(=O)NCc3ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307080 562853685 /nfs/dbraw/zinc/85/36/85/562853685.db2.gz GHNOAVACUUOLQQ-QNGWXLTQSA-N 2 0 757.983 4.514 1 0 KJAFRP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CC[NH+]3CCCC3)c2)n1 ZINC000169310611 562854845 /nfs/dbraw/zinc/85/48/45/562854845.db2.gz MGXZPQRGFPHJNB-UHFFFAOYSA-N 2 0 566.106 4.851 1 0 KJAFRP CCCCCCNC(=[NH2+])NC(=[NH2+])NCCCCCCCCCCNC(=[NH2+])NC(=[NH2+])NCCCCCC ZINC000169314963 562855767 /nfs/dbraw/zinc/85/57/67/562855767.db2.gz IRYBXHMCWXEVSK-UHFFFAOYSA-N 4 0 508.804 4.544 1 0 KJAFRP C[NH+](C)CCCn1c2ccccc2c(O)c(CCCCCCC[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000169317058 562855893 /nfs/dbraw/zinc/85/58/93/562855893.db2.gz GFTUGFHESIPVDM-MUUNZHRXSA-N 2 0 504.719 4.947 1 0 KJAFRP C[NH+](C)CCCn1c2ccccc2c(O)c(CCCCCCC[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000169317059 562855889 /nfs/dbraw/zinc/85/58/89/562855889.db2.gz GFTUGFHESIPVDM-NDEPHWFRSA-N 2 0 504.719 4.947 1 0 KJAFRP COc1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1C[NH3+] ZINC000169330017 562858624 /nfs/dbraw/zinc/85/86/24/562858624.db2.gz QUIWZJSYFWGPPN-PMERELPUSA-N 2 0 550.659 4.977 1 0 KJAFRP NC(=[NH2+])c1ccc(OCc2ccc(COc3ccc(C(N)=[NH2+])cc3Br)cc2)c(Br)c1 ZINC000169332576 562859194 /nfs/dbraw/zinc/85/91/94/562859194.db2.gz BHNDJAMYGGKLRH-UHFFFAOYSA-N 2 0 532.236 4.938 1 0 KJAFRP CCCCCS(=O)(=O)c1ccc(NC(=N)NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=N)Nc2ccc(S(=O)(=O)CCCCC)cc2)cc1 ZINC000169337237 562859978 /nfs/dbraw/zinc/85/99/78/562859978.db2.gz IAQDNFKGABGJRJ-UHFFFAOYSA-N 2 0 704.968 4.796 1 0 KJAFRP CCOc1cc(F)c(Cn2nc(-c3ncc(OCC[NH+](C)C)c(Nc4cc[nH+]cc4)n3)c3c2CCC3)c(F)c1 ZINC000169341683 562860888 /nfs/dbraw/zinc/86/08/88/562860888.db2.gz HDLPONLLJOSAIM-UHFFFAOYSA-N 2 0 535.599 4.633 1 0 in-vitro KJAFRP COc1c(Br)cc(-c2cccc(/C=C/C(=O)NCCC[N@H+](C)CCC[NH3+])c2)cc1Br ZINC000169346606 562861848 /nfs/dbraw/zinc/86/18/48/562861848.db2.gz XULGPXITGHLMFM-CMDGGOBGSA-N 2 0 539.312 4.687 1 0 KJAFRP CC[C@@H](C)N(C(=O)[C@@H]([NH3+])Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348473 562862297 /nfs/dbraw/zinc/86/22/97/562862297.db2.gz RAQCDDGDQCPLGP-VIZCGCQYSA-N 2 0 526.725 4.535 1 0 KJAFRP CC[C@H](C)N(C(=O)[C@@H]([NH3+])Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348474 562862318 /nfs/dbraw/zinc/86/23/18/562862318.db2.gz RAQCDDGDQCPLGP-YZNIXAGQSA-N 2 0 526.725 4.535 1 0 KJAFRP C[NH+]1CCN(CCC(=O)O[C@@H]2CC3([NH+]4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356600 562863852 /nfs/dbraw/zinc/86/38/52/562863852.db2.gz YPHHCBORUIYXQN-ZIQMFUFLSA-N 2 0 501.715 4.752 1 0 KJAFRP OC/C=C1/C[N@@H+]2CC[C@H]3[C@@H]2C[C@@H]1C1=CN2c4ccccc4[C@@]45CC[NH+]6CC7=CCO[C@H]([C@@H]([C@H]24)[C@H]7C[C@H]65)N(c2ccccc2)[C@@H]13 ZINC000169358516 562863987 /nfs/dbraw/zinc/86/39/87/562863987.db2.gz VVWIDIIMLHNFOH-JDVPCOFVSA-N 2 0 586.780 4.535 1 0 KJAFRP C/C=C1/C[N@@H+]2[C@@H](C3=C[C@@H]4[C@@H]5N(c6ccccc6[C@@]56CC[NH+]5C/C(=C/CO)[C@@H]4C[C@H]56)C3=O)C[C@]34c5ccccc5N5C(=O)CC=C([C@H]53)[C@H]1C[C@H]24 ZINC000169360954 562864175 /nfs/dbraw/zinc/86/41/75/562864175.db2.gz WGKQKBZVYLWPHU-YJIPJUBSSA-N 2 0 650.823 4.628 1 0 KJAFRP C[C@@H]1CCC[C@@H](C)[NH+]1CCCCCN1c2ccccc2O[C@@H](c2cccc(C(=[NH2+])NN3CCOCC3)c2)C1=O ZINC000169372206 562864831 /nfs/dbraw/zinc/86/48/31/562864831.db2.gz BUTHBIKCCABUOZ-CWHUZLPRSA-N 2 0 533.717 4.749 1 0 KJAFRP C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@@H](c2cccc(C(=[NH2+])NN3CCOCC3)c2)C1=O ZINC000169372207 562864832 /nfs/dbraw/zinc/86/48/32/562864832.db2.gz BUTHBIKCCABUOZ-IRYADYCUSA-N 2 0 533.717 4.749 1 0 KJAFRP CC(C)([NH3+])c1cccc(CC(=O)Nc2nnc(CCCCC(=[NH2+])CCC(=N)NC(=O)Cc3ccccc3)s2)c1 ZINC000169698661 562867438 /nfs/dbraw/zinc/86/74/38/562867438.db2.gz RTSOBXZZQRSYIB-UHFFFAOYSA-N 2 0 547.729 4.762 1 0 KJAFRP c1ccc2c(c1)nc(NCc1ccc(C[NH2+]CCC[NH2+]C3CCCCC3)cc1)nc2NC1CC[NH2+]CC1 ZINC000200593012 562873362 /nfs/dbraw/zinc/87/33/62/562873362.db2.gz SHIKEDQVUTVKBS-UHFFFAOYSA-N 3 0 501.723 4.808 1 0 KJAFRP CN1CC[NH+](C23C[C@@H](c4ccccc4)C([C@H](c4ccccc4)C2)[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)CC1 ZINC000205390998 562875305 /nfs/dbraw/zinc/87/53/05/562875305.db2.gz LPFZQPFLCRPGJK-WIQRYREDSA-N 2 0 514.758 4.715 1 0 KJAFRP C[NH+](C)CCNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@H]3C(=O)Nc2ccc(C(=O)OCC[NH+](C)C)cc2)cc1 ZINC000224070770 562880267 /nfs/dbraw/zinc/88/02/67/562880267.db2.gz JJIKLWQMJZWMDS-DVBUTLEUSA-N 2 0 808.315 4.910 1 0 KJAFRP Cc1ccc(N2CCN(C(=O)[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000253655806 562882653 /nfs/dbraw/zinc/88/26/53/562882653.db2.gz KHUSEOUYELGLMC-XEVVZDEMSA-N 2 0 539.164 4.847 1 0 KJAFRP C[NH+](C)Cc1c2ccccc2[nH]c1C(=O)NCCCC[NH+]1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1 ZINC000299825980 562883745 /nfs/dbraw/zinc/88/37/45/562883745.db2.gz DKBPQSXNYNGHQK-UHFFFAOYSA-N 2 0 559.681 4.668 1 0 KJAFRP CNc1nc(-c2ccc(CC[NH+]3CCN(CCCC[NH+]4CCN(c5ccccc5)CC4)CC3)cc2)cs1 ZINC000299826311 562883829 /nfs/dbraw/zinc/88/38/29/562883829.db2.gz GSOZEATURLGZTN-UHFFFAOYSA-N 2 0 518.775 4.614 1 0 KJAFRP CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)NCC=[NH2+])[C@H](c2cccc(Cl)c2F)[C@@]12c1ccc(Cl)cc1NC2=O ZINC000299840322 562888470 /nfs/dbraw/zinc/88/84/70/562888470.db2.gz UZCPOBKEPQHWJB-MZFHRINRSA-N 2 0 505.421 4.649 1 0 KJAFRP COc1ccc(CC[NH2+]C[C@H](O)CN2CN(c3ccc(F)cc3)C3(CC[NH+](CC4CCCCCCC4)CC3)C2=O)cc1OC ZINC000299854532 562891404 /nfs/dbraw/zinc/89/14/04/562891404.db2.gz ABBBAYMZEUIFIL-HKBQPEDESA-N 2 0 610.815 4.837 1 0 KJAFRP COc1cc(=O)oc2cc(OCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000299855469 562891645 /nfs/dbraw/zinc/89/16/45/562891645.db2.gz BCVGDFVUHQSRKG-UHFFFAOYSA-N 2 0 542.680 4.727 1 0 KJAFRP COc1cc(C[NH2+]CCCN2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000299856133 562891866 /nfs/dbraw/zinc/89/18/66/562891866.db2.gz HZRJARBNGRXUJE-UHFFFAOYSA-N 2 0 503.687 4.642 1 0 KJAFRP O=c1ccc2ccc(OCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299863529 562893852 /nfs/dbraw/zinc/89/38/52/562893852.db2.gz PIWUWOLYFQAYGB-UHFFFAOYSA-N 2 0 512.654 4.719 1 0 KJAFRP O=c1ccc2ccc(OCCC[NH+]3CCN(CCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299864676 562894211 /nfs/dbraw/zinc/89/42/11/562894211.db2.gz RUDSZRKFTPRYSM-UHFFFAOYSA-N 2 0 512.654 4.719 1 0 KJAFRP CC(C)(C)[NH2+]C[C@@H](O)CN1CN(c2ccccc2)C2(CC[NH+](CCc3ccccc3-c3cccs3)CC2)C1=O ZINC000299868828 562895173 /nfs/dbraw/zinc/89/51/73/562895173.db2.gz SKSGDFOLUKOKPF-HHHXNRCGSA-N 2 0 546.781 4.848 1 0 KJAFRP c1ccc2c(c1)C1=[NH+]CCC3(CC[NH+]=C4C=CN(CCC5(CCN2C=C1)OCCO5)c1ccccc14)OCCO3 ZINC000377845833 562896362 /nfs/dbraw/zinc/89/63/62/562896362.db2.gz FIXIKHFMALDBDP-UHFFFAOYSA-N 2 0 540.664 4.693 1 0 KJAFRP Cn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(/C=C/C(=O)Nc4ccc(Nc5cc[n+](C)cc5)c(N)c4)cc3)cc2N)cc1 ZINC000377848859 562896434 /nfs/dbraw/zinc/89/64/34/562896434.db2.gz STPWWWCEEAGPCR-LFYBBSHMSA-O 2 0 585.692 4.894 1 0 KJAFRP CC1=CC(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)c(N)c2)c2cc(N)ccc2[N@@H+]1C ZINC000377848947 562896531 /nfs/dbraw/zinc/89/65/31/562896531.db2.gz XQIARJRJHXEBEZ-UHFFFAOYSA-O 2 0 504.618 4.704 1 0 KJAFRP O=C(CC[NH2+]Cc1ccc(Cl)c(Cl)c1)N(CC[NH2+]CCc1ccc(O)c2c1OCC(=O)N2)C1CCCCC1 ZINC000473109455 562898495 /nfs/dbraw/zinc/89/84/95/562898495.db2.gz RRYBKSAFYZHKER-UHFFFAOYSA-N 2 0 563.526 4.503 1 0 KJAFRP COCCOc1cc2ncnc(Nc3ccc(NC(=O)/C=C/C[NH+](C)C)c(C(F)(F)F)c3)c2cc1NC(=O)/C=C/C[NH+](C)C ZINC000473127362 562899863 /nfs/dbraw/zinc/89/98/63/562899863.db2.gz WBQXMUQWWMPSJG-CDJQDVQCSA-N 2 0 615.657 4.530 1 0 KJAFRP COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC[N@@H+](C1CC[NH2+]CC1)C2 ZINC000473129784 562900051 /nfs/dbraw/zinc/90/00/51/562900051.db2.gz INPHYWINOJFIAJ-UHFFFAOYSA-N 2 0 585.174 4.730 1 0 KJAFRP COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](CN5CC[C@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1O ZINC000473179706 562903392 /nfs/dbraw/zinc/90/33/92/562903392.db2.gz BWAGCDGWJPWYOX-NYVOZVTQSA-N 3 0 523.077 4.898 1 0 KJAFRP COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](CN5CC[C@@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1O ZINC000473179707 562903400 /nfs/dbraw/zinc/90/34/00/562903400.db2.gz BWAGCDGWJPWYOX-STZQEDGTSA-N 3 0 523.077 4.898 1 0 KJAFRP CCN(c1cc(-c2ccc(N3CC[NH2+]CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244931 562904875 /nfs/dbraw/zinc/90/48/75/562904875.db2.gz QBCNRVMPHQNKSE-OGESRWMOSA-N 2 0 599.824 4.813 1 0 KJAFRP CC(C)[C@H](C(=O)NCc1ccccc1)[n+]1ccn(Cc2cccc(Cn3cc[n+]([C@@H](C(=O)NCc4ccccc4)C(C)C)c3)c2)c1 ZINC000653722465 562908808 /nfs/dbraw/zinc/90/88/08/562908808.db2.gz NIONQOYTZOMXQC-LQFQNGICSA-P 2 0 618.826 4.988 1 0 KJAFRP C[C@H]1C[C@H]2CCC[NH+]2[C@@H](CC(=O)C[C@@H]2[N@H+]3CCC[C@@H]3C[C@H](C)[C@@]2(O)c2ccccc2)[C@]1(O)c1ccccc1 ZINC000653725558 562909065 /nfs/dbraw/zinc/90/90/65/562909065.db2.gz JPVGVKCBHJUCQQ-GAZPSEQRSA-N 2 0 516.726 4.857 1 0 KJAFRP C[C@@H]1C[C@@H]2CCC[NH+]2[C@H](CC(=O)C[C@H]2[N@H+]3CCC[C@H]3C[C@@H](C)[C@]2(O)c2ccccc2)[C@@]1(O)c1ccccc1 ZINC000653725559 562909060 /nfs/dbraw/zinc/90/90/60/562909060.db2.gz JPVGVKCBHJUCQQ-MACGHIFPSA-N 2 0 516.726 4.857 1 0 KJAFRP NC(=[NH2+])c1cccc(N2C[C@H](OCc3ccccc3)CN(CC3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000653745694 562910352 /nfs/dbraw/zinc/91/03/52/562910352.db2.gz MEELSFYQUGSNNK-GDLZYMKVSA-N 2 0 511.670 4.710 1 0 KJAFRP NC(=[NH2+])c1cccc(N2C[C@@H](OCc3ccccc3)CN(CC3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000653745695 562910355 /nfs/dbraw/zinc/91/03/55/562910355.db2.gz MEELSFYQUGSNNK-LJAQVGFWSA-N 2 0 511.670 4.710 1 0 KJAFRP NC(=[NH2+])c1cccc(N2C[C@H](COCc3ccccc3)CN(CC3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000653746433 562910385 /nfs/dbraw/zinc/91/03/85/562910385.db2.gz SNXRYLUCKVDDCE-MUUNZHRXSA-N 2 0 525.697 4.958 1 0 KJAFRP NC(=[NH2+])c1cccc(N2C[C@@H](COCc3ccccc3)CN(CC3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000653746434 562910430 /nfs/dbraw/zinc/91/04/30/562910430.db2.gz SNXRYLUCKVDDCE-NDEPHWFRSA-N 2 0 525.697 4.958 1 0 KJAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(-c2cccs2)s1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000653795231 562912984 /nfs/dbraw/zinc/91/29/84/562912984.db2.gz GTTMZCPBPGZUQU-NCZODNFJSA-N 2 0 801.823 4.681 1 0 KJAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cc(-c2ccccc2)cs1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000653796436 562913150 /nfs/dbraw/zinc/91/31/50/562913150.db2.gz UXNNAWQYTITWTA-MZSJJGOWSA-N 2 0 795.794 4.619 1 0 KJAFRP [NH3+][C@H](C(=O)Nc1cccc(F)c1CC[C@@H]1C[NH2+][C@H](COC(=O)NCC(F)(F)F)CO1)[C@@H](c1ccc(F)cc1)c1cccc(F)c1 ZINC000653834583 562914648 /nfs/dbraw/zinc/91/46/48/562914648.db2.gz ZWZPNUQLMSAMMR-NPLHHVMXSA-N 2 0 638.609 4.780 1 0 KJAFRP COc1cc([C@H]2[C@H](C(=O)OCCC3CC[NH+](C)CC3)[C@H](c3ccc(O)c(OC)c3)[C@H]2C(=O)OCCC2CC[NH+](C)CC2)ccc1O ZINC000653835894 562914715 /nfs/dbraw/zinc/91/47/15/562914715.db2.gz YIIGLSBECWPGMR-JFQKCFOJSA-N 2 0 638.802 4.779 1 0 KJAFRP [NH3+][C@H](C(=O)Nc1cccc(F)c1CC[C@@H]1C[NH2+][C@H](COC(=O)NCC(F)(F)F)CO1)C(c1ccccc1)c1ccccc1 ZINC000653837901 562914798 /nfs/dbraw/zinc/91/47/98/562914798.db2.gz LQANTSXWUVNUGR-JWZKTCGFSA-N 2 0 602.629 4.502 1 0 KJAFRP COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)[NH3+])nnc2[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1 ZINC000653842766 562914927 /nfs/dbraw/zinc/91/49/27/562914927.db2.gz MQLCJXCOIKRMFV-BHBYDHKZSA-N 2 0 590.732 4.677 1 0 KJAFRP COc1ccc(Cn2c([C@H]([NH3+])Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000653850985 562915544 /nfs/dbraw/zinc/91/55/44/562915544.db2.gz MQLCJXCOIKRMFV-POURPWNDSA-N 2 0 590.732 4.677 1 0 KJAFRP COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC000653856872 562915730 /nfs/dbraw/zinc/91/57/30/562915730.db2.gz VLDXIRYGXGIOAY-FSRLPRDNSA-N 2 0 675.838 4.574 1 0 KJAFRP COc1cc2[nH+]c(NCCC3CCOCC3)cc(Nc3cnc(OCC[NH+](C)C)c(F)c3)c2cc1OC ZINC000653861182 562915997 /nfs/dbraw/zinc/91/59/97/562915997.db2.gz VETFIPJIJDAZKG-UHFFFAOYSA-N 2 0 513.614 4.699 1 0 KJAFRP O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000653886946 562916975 /nfs/dbraw/zinc/91/69/75/562916975.db2.gz PXPWFLNVUKPHQM-CXQACEEJSA-N 2 0 505.625 4.919 1 0 KJAFRP COc1ccc2cc3[n+](cc2c1OC(=O)N1CCC([NH+]2CCCCC2)CC1)CCc1cc2c(cc1-3)OCO2 ZINC000653894807 562917317 /nfs/dbraw/zinc/91/73/17/562917317.db2.gz MRKTUTODFOZRHT-UHFFFAOYSA-N 2 0 516.618 4.537 1 0 KJAFRP CCCCN1C(=[NH2+])N([C@@H](CCC)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@H]1Cc1ccccc1 ZINC000064560484 562708533 /nfs/dbraw/zinc/70/85/33/562708533.db2.gz ANFIASDTFAVNAZ-RTNMLALUSA-N 3 0 557.831 4.825 3 0 KJAFRP CCCCN1C(=[NH2+])N([C@@H](CCC)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@H]1[C@H](C)CC ZINC000066129506 562712972 /nfs/dbraw/zinc/71/29/72/562712972.db2.gz MAWZSNDGHVCEFO-QDXQZTBOSA-N 3 0 523.814 4.628 3 0 KJAFRP CCCCN1C(=[NH2+])N([C@@H](CCC)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2CC(C)C)C[C@H]1Cc1ccccc1 ZINC000066136659 562713236 /nfs/dbraw/zinc/71/32/36/562713236.db2.gz NBEOOUAVQBBNHY-QUAHOIDUSA-N 3 0 523.814 4.628 3 0 KJAFRP CCCCN1C(=[NH2+])N([C@@H](C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(C)C)C[C@H]1Cc1ccccc1 ZINC000066139217 562713394 /nfs/dbraw/zinc/71/33/94/562713394.db2.gz MFJLHOLUPATNON-IHZBLBIESA-N 3 0 557.831 4.681 3 0 KJAFRP CC[C@@H](C)[C@@H]1CN([C@@H](C)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2CC(C)C)C(=[NH2+])N1CCCC1CCCC1 ZINC000095569909 562767759 /nfs/dbraw/zinc/76/77/59/562767759.db2.gz JPKNDIAWWOYACR-GMKPQLIGSA-N 3 0 515.835 4.822 3 0 KJAFRP