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(Nc1cccc(C2=[NH+]CCN2)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(C4=[NH+]CCN4)c3)cc2)cc1 ZINC000001681988 551688935 /nfs/dbraw/zinc/68/89/35/551688935.db2.gz HOYOJUMMRGKESB-UHFFFAOYSA-N 2 0 528.616 4.558 40 0 in-vitro KJABRP C[C@H]1C[NH+]=C(CCc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(CCC5=[NH+]C[C@H](C)N5)cc4)cc3)cc2)N1 ZINC000001694614 551689611 /nfs/dbraw/zinc/68/96/11/551689611.db2.gz YKIDFLUGGRBNQC-VXKWHMMOSA-N 2 0 536.680 4.837 40 0 KJABRP C[C@@H]1C[NH+]=C(CCc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(CCC5=[NH+]C[C@H](C)N5)cc4)cc3)cc2)N1 ZINC000001694615 551689561 /nfs/dbraw/zinc/68/95/61/551689561.db2.gz YKIDFLUGGRBNQC-SZPZYZBQSA-N 2 0 536.680 4.837 40 0 KJABRP C[C@@H]1C[NH+]=C(CCc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(CCC5=[NH+]C[C@@H](C)N5)cc4)cc3)cc2)N1 ZINC000001694617 551689645 /nfs/dbraw/zinc/68/96/45/551689645.db2.gz YKIDFLUGGRBNQC-FGZHOGPDSA-N 2 0 536.680 4.837 40 0 KJABRP O=C(Nc1ccc(CCC2=[NH+]CCCN2)cc1)c1ccc(C(=O)Nc2ccc(CCC3=[NH+]CCCN3)cc2)cc1 ZINC000001694618 551689614 /nfs/dbraw/zinc/68/96/14/551689614.db2.gz BVEUWFCRTCPVSD-UHFFFAOYSA-N 2 0 536.680 4.840 40 0 KJABRP Brc1cccc[n+]1-c1cc(-[n+]2ccccc2Br)cc(-[n+]2ccccc2Br)c1 ZINC000001870605 551719709 /nfs/dbraw/zinc/71/97/09/551719709.db2.gz MKPJEQPCTFVVOE-UHFFFAOYSA-N 3 0 549.084 4.804 40 0 KJABRP CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)OCCCOC(=O)Nc2ccc(C(=O)OCC[NH+](CC)CC)cc2)cc1 ZINC000004537667 552464569 /nfs/dbraw/zinc/46/45/69/552464569.db2.gz FLXRAHVGFGGXQD-UHFFFAOYSA-N 2 0 600.713 4.871 40 0 KJABRP CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)OC[C@H](C)OC(=O)Nc2ccc(C(=O)OCC[NH+](CC)CC)cc2)cc1 ZINC000004538660 552464587 /nfs/dbraw/zinc/46/45/87/552464587.db2.gz DHAUOSIUEFTMDY-QHCPKHFHSA-N 2 0 600.713 4.870 40 0 KJABRP O=C(Nc1cccc(C2=[NH+]CCN2)c1)c1ccc(OCCCOc2ccc(C(=O)Nc3cccc(C4=[NH+]CCN4)c3)cc2)cc1 ZINC000004720923 552472766 /nfs/dbraw/zinc/47/27/66/552472766.db2.gz XKJVRTOOMABXKC-UHFFFAOYSA-N 2 0 602.695 4.739 40 0 KJABRP O=C(CCCCCCCCC(=O)NCC1(c2ccccc2)CC[NH2+]CC1)NCC1(c2ccccc2)CC[NH2+]CC1 ZINC000004900534 552489262 /nfs/dbraw/zinc/48/92/62/552489262.db2.gz ANIYDSNTTRKSGK-UHFFFAOYSA-N 2 0 546.800 4.982 40 0 KJABRP CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000004946267 552490045 /nfs/dbraw/zinc/49/00/45/552490045.db2.gz AWSZAKCFFVUULY-XKEUXCCBSA-N 2 0 577.766 4.934 40 0 KJABRP CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000004946268 552490081 /nfs/dbraw/zinc/49/00/81/552490081.db2.gz AWSZAKCFFVUULY-SOULJVCNSA-N 2 0 577.766 4.934 40 0 KJABRP CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)OC[C@@H](C)OC(=O)Nc2ccc(C(=O)OCC[NH+](CC)CC)cc2)cc1 ZINC000008614850 553102220 /nfs/dbraw/zinc/10/22/20/553102220.db2.gz DHAUOSIUEFTMDY-HSZRJFAPSA-N 2 0 600.713 4.870 40 0 KJABRP O=C(CC[NH2+]CCc1ccc(Cl)c(Cl)c1)N(CC[NH2+]CCc1ccc(O)c2c1OCC(=O)N2)C1CCCCC1 ZINC000072316825 553647415 /nfs/dbraw/zinc/64/74/15/553647415.db2.gz LIBVHXXKHSODII-UHFFFAOYSA-N 2 0 577.553 4.546 40 0 in-vitro KJABRP C[NH+](C)CCCC(c1[nH]c2ccc(Cn3cncn3)cc2c1CC[NH+](C)C)c1[nH]c2ccc(Cn3cncn3)cc2c1CC[NH+](C)C ZINC000077312927 553664209 /nfs/dbraw/zinc/66/42/09/553664209.db2.gz AYRFNHASXHCJRE-UHFFFAOYSA-N 3 0 635.865 4.611 40 0 in-vitro KJABRP 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)C(=O)OC)C2 ZINC000095544807 553703425 /nfs/dbraw/zinc/70/34/25/553703425.db2.gz FFRFGVHNKJYNOV-ZCIMLLHDSA-N 2 0 792.974 4.796 40 0 investigational KJABRP 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)C(=O)OC)C2 ZINC000095616067 553705991 /nfs/dbraw/zinc/70/59/91/553705991.db2.gz FFRFGVHNKJYNOV-DOVUUNBWSA-N 2 0 792.974 4.796 40 0 biogenic,in-vitro KJABRP O=C1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(N2C(=O)C[C@@H]([NH2+]Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000098045891 554134428 /nfs/dbraw/zinc/13/44/28/554134428.db2.gz PKHUESKAJFUHFK-DNQXCXABSA-N 2 0 618.534 4.568 40 0 KJABRP CCC1(CC)C(=O)N(CCCC[NH+]2CCN(c3ccccc3)CC2)C(=O)N(CCCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000101137088 554651746 /nfs/dbraw/zinc/65/17/46/554651746.db2.gz JREDPWARYXBMGI-UHFFFAOYSA-N 2 0 616.851 4.788 40 0 KJABRP Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(OC[C@H](O)C[NH+]4CCN(c5ccc(C)c(Cl)c5)CC4)cc3)CC2)cc1Cl ZINC000101209916 554678519 /nfs/dbraw/zinc/67/85/19/554678519.db2.gz SLLWWMSLIZILTB-LOYHVIPDSA-N 2 0 643.656 4.734 40 0 KJABRP C[NH+](C[C@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)cc2)cc1)C1CCCCC1 ZINC000101210331 554679016 /nfs/dbraw/zinc/67/90/16/554679016.db2.gz XNVQAIZUQFZEQN-HNRBIFIRSA-N 2 0 588.811 4.528 40 0 KJABRP C[NH+](C[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)cc2)cc1)C1CCCCC1 ZINC000101210332 554678959 /nfs/dbraw/zinc/67/89/59/554678959.db2.gz XNVQAIZUQFZEQN-VSGBNLITSA-N 2 0 588.811 4.528 40 0 KJABRP O=C1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000101406214 554761800 /nfs/dbraw/zinc/76/18/00/554761800.db2.gz PKHUESKAJFUHFK-ZEQRLZLVSA-N 2 0 618.534 4.568 40 0 KJABRP O=C(NCCC[NH+]1CCCCC1)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)NCCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000101811331 554839776 /nfs/dbraw/zinc/83/97/76/554839776.db2.gz CJOGTTSRUOLUTO-UTRLAFKGSA-N 2 0 544.784 4.784 40 0 KJABRP C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](NC(=O)[C@H]([NH3+])Cc5ccc(O)cc5)CC[C@@]43C)[C@@H]1CC[C@@H]2NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000118922998 571446824 /nfs/dbraw/zinc/44/68/24/571446824.db2.gz IYGSZRSGAFWJPO-BRGZKEDASA-N 2 0 616.847 4.550 40 0 KJABRP C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](NC(=O)[C@H]([NH3+])Cc5ccc(O)cc5)CC[C@@]43C)[C@@H]1CC[C@@H]2NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000118922999 571446851 /nfs/dbraw/zinc/44/68/51/571446851.db2.gz IYGSZRSGAFWJPO-JWBJHOSPSA-N 2 0 616.847 4.550 40 0 KJABRP C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](NC(=O)[C@H]([NH3+])Cc5ccc(O)cc5)CC[C@@]43C)[C@@H]1CC[C@@H]2NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000118923000 571446842 /nfs/dbraw/zinc/44/68/42/571446842.db2.gz IYGSZRSGAFWJPO-YBAJDWRESA-N 2 0 616.847 4.550 40 0 KJABRP C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](NC(=O)[C@H]([NH3+])Cc5ccc(O)cc5)CC[C@@]43C)[C@@H]1CC[C@@H]2NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000118923001 571446819 /nfs/dbraw/zinc/44/68/19/571446819.db2.gz IYGSZRSGAFWJPO-WIQITZIISA-N 2 0 616.847 4.550 40 0 KJABRP C[NH+](C[C@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)cc2)cc1)C1CCCCC1 ZINC000222214960 571604911 /nfs/dbraw/zinc/60/49/11/571604911.db2.gz XNVQAIZUQFZEQN-NSOVKSMOSA-N 2 0 588.811 4.528 40 0 KJABRP 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+]3CCC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000242701872 572199322 /nfs/dbraw/zinc/19/93/22/572199322.db2.gz WOURDBIBKDKFLK-IELIFDKJSA-N 2 0 780.963 4.978 40 0 KJABRP 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)C(=O)OC)C2 ZINC000245204699 562881283 /nfs/dbraw/zinc/88/12/83/562881283.db2.gz GBABOYUKABKIAF-SULIYOFUSA-N 2 0 778.947 4.754 40 0 KJABRP 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)C(=O)OC)C2 ZINC000252515027 572262092 /nfs/dbraw/zinc/26/20/92/572262092.db2.gz GBABOYUKABKIAF-JRNUBQCZSA-N 2 0 778.947 4.754 40 0 KJABRP 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)C(=O)OC)C2 ZINC000252515028 572262135 /nfs/dbraw/zinc/26/21/35/572262135.db2.gz GBABOYUKABKIAF-ODXJPMDXSA-N 2 0 778.947 4.754 40 0 KJABRP 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)C(=O)OC)C2 ZINC000252515029 572262079 /nfs/dbraw/zinc/26/20/79/572262079.db2.gz GBABOYUKABKIAF-RTWPQRFYSA-N 2 0 778.947 4.754 40 0 KJABRP 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)C(=O)OC)C2 ZINC000252515030 572262104 /nfs/dbraw/zinc/26/21/04/572262104.db2.gz GBABOYUKABKIAF-WIPKSZAFSA-N 2 0 778.947 4.754 40 0 KJABRP 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 ZINC000257375779 572322363 /nfs/dbraw/zinc/32/23/63/572322363.db2.gz AGKYIOIIEPFTEV-BVDSDHSQSA-N 2 0 794.990 4.876 40 0 KJABRP 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 ZINC000257375780 572322355 /nfs/dbraw/zinc/32/23/55/572322355.db2.gz AGKYIOIIEPFTEV-IBSHYZQTSA-N 2 0 794.990 4.876 40 0 KJABRP 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 ZINC000257375781 572322379 /nfs/dbraw/zinc/32/23/79/572322379.db2.gz AGKYIOIIEPFTEV-WMZIKTOJSA-N 2 0 794.990 4.876 40 0 KJABRP 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 ZINC000257375782 572322349 /nfs/dbraw/zinc/32/23/49/572322349.db2.gz AGKYIOIIEPFTEV-ZEVCYOMYSA-N 2 0 794.990 4.876 40 0 KJABRP 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)C(=O)OC)C2 ZINC000257414349 572322405 /nfs/dbraw/zinc/32/24/05/572322405.db2.gz FFRFGVHNKJYNOV-CEWZPSGNSA-N 2 0 792.974 4.796 40 0 KJABRP 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)C(=O)OC)C2 ZINC000257414350 572322391 /nfs/dbraw/zinc/32/23/91/572322391.db2.gz FFRFGVHNKJYNOV-VNTZAFJHSA-N 2 0 792.974 4.796 40 0 KJABRP 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)C(=O)OC)C2 ZINC000257414351 572322399 /nfs/dbraw/zinc/32/23/99/572322399.db2.gz FFRFGVHNKJYNOV-WMSQZNRVSA-N 2 0 792.974 4.796 40 0 KJABRP 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)C(=O)OC)C2 ZINC000257414352 572322426 /nfs/dbraw/zinc/32/24/26/572322426.db2.gz FFRFGVHNKJYNOV-YBROVWCKSA-N 2 0 792.974 4.796 40 0 KJABRP O=C1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C(=O)N1c1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000261526973 572113576 /nfs/dbraw/zinc/11/35/76/572113576.db2.gz SNKDUKREFWHNLI-DNQXCXABSA-N 2 0 618.534 4.568 40 0 KJABRP O=C1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000261526975 572113699 /nfs/dbraw/zinc/11/36/99/572113699.db2.gz SNKDUKREFWHNLI-ZEQRLZLVSA-N 2 0 618.534 4.568 40 0 KJABRP CCC1=CC[NH+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@H]1[C@H]24 ZINC000263602581 572129235 /nfs/dbraw/zinc/12/92/35/572129235.db2.gz MMLZNGAVBVUQNG-HBVVWZBESA-N 2 0 794.990 4.876 40 0 KJABRP CCC1=CC[NH+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@H]1[C@@H]24 ZINC000263602582 572129210 /nfs/dbraw/zinc/12/92/10/572129210.db2.gz MMLZNGAVBVUQNG-NOVHTALISA-N 2 0 794.990 4.876 40 0 KJABRP CCC1=CC[NH+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@H]1[C@@H]24 ZINC000263602583 572129128 /nfs/dbraw/zinc/12/91/28/572129128.db2.gz MMLZNGAVBVUQNG-QWYMXINASA-N 2 0 794.990 4.876 40 0 KJABRP CCC1=CC[NH+]2CC[C@]34c5cc([C@]6(C(=O)OC)C[C@H]7C[C@H](CC)C[N@@H+](C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@H]1[C@H]24 ZINC000263602584 572129157 /nfs/dbraw/zinc/12/91/57/572129157.db2.gz MMLZNGAVBVUQNG-SAXBYPFESA-N 2 0 794.990 4.876 40 0 KJABRP C[N@@H+]1[C@@H](c2ccccc2)C[C@]2(C)[C@H]1CCC[C@@H]([NH2+]Cc1ccc(OCCCN3CCCC3=O)cc1)[C@@H]2O ZINC000585270460 1066379285 /nfs/dbraw/zinc/37/92/85/1066379285.db2.gz KOOFVSAYVBVZNQ-LLMMMJPWSA-N 2 0 505.703 4.533 40 0 KJABRP OCCC[N@@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585271601 1066381205 /nfs/dbraw/zinc/38/12/05/1066381205.db2.gz GGVKBAVZJFSLFX-HHHXNRCGSA-N 2 0 515.698 4.905 40 0 KJABRP OCCC[N@@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000585271608 1066381288 /nfs/dbraw/zinc/38/12/88/1066381288.db2.gz GGVKBAVZJFSLFX-MHZLTWQESA-N 2 0 515.698 4.905 40 0 KJABRP COc1cc(C[N@H+](CCCO)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272736 1066383894 /nfs/dbraw/zinc/38/38/94/1066383894.db2.gz MOALFUUKKNRAKQ-MUUNZHRXSA-N 2 0 537.745 4.623 40 0 KJABRP COc1cc(C[N@H+](CCCO)C[C@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272742 1066383650 /nfs/dbraw/zinc/38/36/50/1066383650.db2.gz MOALFUUKKNRAKQ-NDEPHWFRSA-N 2 0 537.745 4.623 40 0 KJABRP COc1cc(C[N@H+](C)C[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585273141 1066386178 /nfs/dbraw/zinc/38/61/78/1066386178.db2.gz PNPPWIUXHKRJST-JOCHJYFZSA-N 2 0 534.623 4.667 40 0 KJABRP COc1cc(C[N@H+](C)C[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585273150 1066385308 /nfs/dbraw/zinc/38/53/08/1066385308.db2.gz PNPPWIUXHKRJST-QFIPXVFZSA-N 2 0 534.623 4.667 40 0 KJABRP COc1cc(C[NH+]2CCC3(CC2)C[C@H](N(C)C(=O)OC(C)(C)C)[C@@](C)(O)CO3)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585274758 1066385448 /nfs/dbraw/zinc/38/54/48/1066385448.db2.gz ZBUAZFIZANLINN-IZEXYCQBSA-N 2 0 575.791 4.547 40 0 KJABRP CCCc1nc2sc(C)c(C)c2c(NC2CC[NH+](Cc3ccc(OCCN4CC[NH+](C)CC4)cc3)CC2)n1 ZINC000585295309 1066392174 /nfs/dbraw/zinc/39/21/74/1066392174.db2.gz UKVLIGMPZQDBMJ-UHFFFAOYSA-N 2 0 536.790 4.963 40 0 KJABRP 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)C(=O)OC)C2 ZINC001528997591 1067171779 /nfs/dbraw/zinc/17/17/79/1067171779.db2.gz GBABOYUKABKIAF-SFTRWRQYSA-N 2 0 778.947 4.754 40 0 KJABRP 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)C(=O)OC)C2 ZINC001529054288 1067172010 /nfs/dbraw/zinc/17/20/10/1067172010.db2.gz FFRFGVHNKJYNOV-NUDBSUFBSA-N 2 0 792.974 4.796 40 0 KJABRP 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)C(=O)OC)C2 ZINC001529054378 1067171949 /nfs/dbraw/zinc/17/19/49/1067171949.db2.gz GBABOYUKABKIAF-CFRNTICRSA-N 2 0 778.947 4.754 40 0 KJABRP