smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000001719602 534961661 /nfs/dbraw/zinc/96/16/61/534961661.db2.gz RVGYMCTZENVEOJ-UHFFFAOYSA-N 2 2 400.870 2.543 40 0 HFABLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000038852691 558819079 /nfs/dbraw/zinc/81/90/79/558819079.db2.gz WWGHONXMEHNVFK-UHFFFAOYSA-N 2 2 404.470 2.618 40 0 HFABLP Cc1ccc[nH+]c1Nc1ccc([C@@H]2CCC[N@H+](CCC(=O)N3CCOCC3)C2)nc1 ZINC000072353278 558950135 /nfs/dbraw/zinc/95/01/35/558950135.db2.gz OMXKGMVUMZAVSP-LJQANCHMSA-N 2 2 409.534 2.957 40 0 HFABLP Cc1ccc[nH+]c1Nc1ccc([C@@H]2CCC[N@@H+](CCC(=O)N3CCOCC3)C2)nc1 ZINC000072353278 558950137 /nfs/dbraw/zinc/95/01/37/558950137.db2.gz OMXKGMVUMZAVSP-LJQANCHMSA-N 2 2 409.534 2.957 40 0 HFABLP COc1ccc(C[N@@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)cc1 ZINC000096056129 559094024 /nfs/dbraw/zinc/09/40/24/559094024.db2.gz MPQQCYYWMNCDQN-RDPSFJRHSA-N 2 2 408.546 2.897 40 0 HFABLP COc1ccc(C[N@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)cc1 ZINC000096056129 559094026 /nfs/dbraw/zinc/09/40/26/559094026.db2.gz MPQQCYYWMNCDQN-RDPSFJRHSA-N 2 2 408.546 2.897 40 0 HFABLP COc1ncccc1C[N@@H+]1Cc2ccccc2C2(CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000096242429 559103954 /nfs/dbraw/zinc/10/39/54/559103954.db2.gz QZCFRGGAWPCFOH-UHFFFAOYSA-N 2 2 408.546 2.528 40 0 HFABLP COc1ncccc1C[N@H+]1Cc2ccccc2C2(CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000096242429 559103955 /nfs/dbraw/zinc/10/39/55/559103955.db2.gz QZCFRGGAWPCFOH-UHFFFAOYSA-N 2 2 408.546 2.528 40 0 HFABLP O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107816066 559166050 /nfs/dbraw/zinc/16/60/50/559166050.db2.gz BJOQEGDXVHMAMJ-NZQKXSOJSA-N 2 2 411.571 2.656 40 0 HFABLP O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107816066 559166052 /nfs/dbraw/zinc/16/60/52/559166052.db2.gz BJOQEGDXVHMAMJ-NZQKXSOJSA-N 2 2 411.571 2.656 40 0 HFABLP C[NH+]1CCC(Cc2ccccc2F)(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)CC1 ZINC000257282661 568799167 /nfs/dbraw/zinc/79/91/67/568799167.db2.gz OURLEKOGCKHRJJ-SFTDATJTSA-N 2 2 414.525 2.501 40 0 HFABLP O=C(C[NH+]1CCC(O)(c2ccccc2)CC1)N1CC[NH+](/C=C\c2ccccc2)CC1 ZINC000031772169 558752408 /nfs/dbraw/zinc/75/24/08/558752408.db2.gz IFNOUGMPJJULLQ-KAMYIIQDSA-N 2 2 405.542 2.785 40 0 HFABLP CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCC[NH+]3CCOCC3)cc12 ZINC000036740445 558801700 /nfs/dbraw/zinc/80/17/00/558801700.db2.gz XHGKBDGZTSQUFU-UHFFFAOYSA-N 2 2 423.561 2.823 40 0 HFABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257291979 559285758 /nfs/dbraw/zinc/28/57/58/559285758.db2.gz QJMGHKCFCPHEQF-HSZRJFAPSA-N 2 2 423.557 2.845 40 0 HFABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257291979 559285761 /nfs/dbraw/zinc/28/57/61/559285761.db2.gz QJMGHKCFCPHEQF-HSZRJFAPSA-N 2 2 423.557 2.845 40 0 HFABLP O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000219416669 568491551 /nfs/dbraw/zinc/49/15/51/568491551.db2.gz MGLBZJBPRMGYMC-UHFFFAOYSA-N 2 2 400.350 2.654 40 0 HFABLP CCN(C(=O)C[N@H+](C)Cc1cc(N(C)C)nc([C@H]2CCC[NH2+]C2)n1)c1cccc(C)c1 ZINC000019709744 569348206 /nfs/dbraw/zinc/34/82/06/569348206.db2.gz YDMXQJVXSMACOH-IBGZPJMESA-N 2 2 424.593 2.803 40 0 HFABLP CCN(C(=O)C[N@@H+](C)Cc1cc(N(C)C)nc([C@H]2CCC[NH2+]C2)n1)c1cccc(C)c1 ZINC000019709744 569348207 /nfs/dbraw/zinc/34/82/07/569348207.db2.gz YDMXQJVXSMACOH-IBGZPJMESA-N 2 2 424.593 2.803 40 0 HFABLP CNc1cc(C[NH2+]C)nc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2OC)OCCCO3)n1 ZINC000019760587 569429678 /nfs/dbraw/zinc/42/96/78/569429678.db2.gz YTGVXMHQFRXLFQ-KRWDZBQOSA-N 2 2 413.522 2.745 40 0 HFABLP CNc1cc(C[NH2+]C)nc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2OC)OCCCO3)n1 ZINC000019760587 569429679 /nfs/dbraw/zinc/42/96/79/569429679.db2.gz YTGVXMHQFRXLFQ-KRWDZBQOSA-N 2 2 413.522 2.745 40 0 HFABLP CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329021769 571309745 /nfs/dbraw/zinc/30/97/45/571309745.db2.gz OJCJLMBHSQERDC-UHFFFAOYSA-N 2 2 409.456 3.474 40 0 HFABLP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccccn4)n3)cn2)CC1 ZINC000049155132 291220725 /nfs/dbraw/zinc/22/07/25/291220725.db2.gz XAEJAJBWBFLLIZ-IBGZPJMESA-N 2 2 405.506 2.616 40 0 biogenic,in-vitro HFABLP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccccn4)n3)cn2)CC1 ZINC000049155132 291220728 /nfs/dbraw/zinc/22/07/28/291220728.db2.gz XAEJAJBWBFLLIZ-IBGZPJMESA-N 2 2 405.506 2.616 40 0 biogenic,in-vitro HFABLP O=C(C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000036752847 558803054 /nfs/dbraw/zinc/80/30/54/558803054.db2.gz VPVUTAVNCJOMIO-MRXNPFEDSA-N 2 2 403.486 2.803 40 0 HFABLP O=C(C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000036752847 558803055 /nfs/dbraw/zinc/80/30/55/558803055.db2.gz VPVUTAVNCJOMIO-MRXNPFEDSA-N 2 2 403.486 2.803 40 0 HFABLP CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCC[NH+]1CCCC1 ZINC000257335179 568814619 /nfs/dbraw/zinc/81/46/19/568814619.db2.gz YIYSFIRHDUNAHF-DEOSSOPVSA-N 2 2 408.546 2.794 40 0 HFABLP CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCC[NH+]1CCCC1 ZINC000257335179 568814621 /nfs/dbraw/zinc/81/46/21/568814621.db2.gz YIYSFIRHDUNAHF-DEOSSOPVSA-N 2 2 408.546 2.794 40 0 HFABLP COCCNC(=O)[C@@H]1Cc2cn(Cc3[nH+]ccn3C)c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171768 291222077 /nfs/dbraw/zinc/22/20/77/291222077.db2.gz IOQCBKXLQXUOEB-PMACEKPBSA-N 2 2 423.561 2.787 40 0 biogenic,in-vitro HFABLP S=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCCC1)Nc1ccc(-n2cccn2)cc1 ZINC000067870760 291230630 /nfs/dbraw/zinc/23/06/30/291230630.db2.gz IWDHIAQPCGINPU-CNNODRBYSA-N 2 2 424.618 2.965 40 0 biogenic,in-vitro HFABLP S=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCCC1)Nc1ccc(-n2cccn2)cc1 ZINC000067870760 291230631 /nfs/dbraw/zinc/23/06/31/291230631.db2.gz IWDHIAQPCGINPU-CNNODRBYSA-N 2 2 424.618 2.965 40 0 biogenic,in-vitro HFABLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372576 558879841 /nfs/dbraw/zinc/87/98/41/558879841.db2.gz OGSSEBFEIOJWQY-WOJBJXKFSA-N 2 2 406.461 2.796 40 0 HFABLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372576 558879844 /nfs/dbraw/zinc/87/98/44/558879844.db2.gz OGSSEBFEIOJWQY-WOJBJXKFSA-N 2 2 406.461 2.796 40 0 HFABLP C[C@@H](CCC(=O)N1CCN([C@H](c2[nH+]ccn2C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000019455572 558891795 /nfs/dbraw/zinc/89/17/95/558891795.db2.gz UYOHZCNGGLLKKV-REWPJTCUSA-N 2 2 409.578 2.918 40 0 HFABLP Cc1cc(N2CC[C@@](O)(C[N@H+](C)Cc3ccc(OCc4ccccn4)cc3)C2)nc[nH+]1 ZINC000585269644 559115854 /nfs/dbraw/zinc/11/58/54/559115854.db2.gz FUJFIAWEBPXTPM-XMMPIXPASA-N 2 2 419.529 2.832 40 0 HFABLP Cc1cc(N2CC[C@@](O)(C[N@@H+](C)Cc3ccc(OCc4ccccn4)cc3)C2)nc[nH+]1 ZINC000585269644 559115855 /nfs/dbraw/zinc/11/58/55/559115855.db2.gz FUJFIAWEBPXTPM-XMMPIXPASA-N 2 2 419.529 2.832 40 0 HFABLP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257228921 559283737 /nfs/dbraw/zinc/28/37/37/559283737.db2.gz FVWUFGXQOUJXQR-OAQYLSRUSA-N 2 2 420.504 2.667 40 0 HFABLP Cn1ccnc1COc1ccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257228921 559283738 /nfs/dbraw/zinc/28/37/38/559283738.db2.gz FVWUFGXQOUJXQR-OAQYLSRUSA-N 2 2 420.504 2.667 40 0 HFABLP CC(C)[NH2+][C@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@]12CCC(=O)NCC[NH+]1CCOCC1 ZINC000020464605 291217223 /nfs/dbraw/zinc/21/72/23/291217223.db2.gz QTFPZVNCJKSWJG-TZYAJKAJSA-N 2 2 423.642 2.549 40 0 biogenic,in-vitro HFABLP COc1ccc([C@@H]2NC3=[NH+]CN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)cc1 ZINC000009262555 560758327 /nfs/dbraw/zinc/75/83/27/560758327.db2.gz LERWOPPXLDMQGP-OAQYLSRUSA-N 2 2 419.533 2.540 40 0 HFABLP CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000020503872 291216309 /nfs/dbraw/zinc/21/63/09/291216309.db2.gz RAZCTPDVCIYQFH-IRFCIJBXSA-N 2 2 416.591 2.770 40 0 biogenic,in-vitro HFABLP CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000020503872 291216310 /nfs/dbraw/zinc/21/63/10/291216310.db2.gz RAZCTPDVCIYQFH-IRFCIJBXSA-N 2 2 416.591 2.770 40 0 biogenic,in-vitro HFABLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944350 558746193 /nfs/dbraw/zinc/74/61/93/558746193.db2.gz WYZQNEFREOANCI-INIZCTEOSA-N 2 2 400.350 2.654 40 0 HFABLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944350 558746194 /nfs/dbraw/zinc/74/61/94/558746194.db2.gz WYZQNEFREOANCI-INIZCTEOSA-N 2 2 400.350 2.654 40 0 HFABLP COc1cccc(C[N@@H+]2CCC[C@H]2C(=O)N2CCC[NH+](Cc3ccccn3)CC2)c1 ZINC000019661196 558952328 /nfs/dbraw/zinc/95/23/28/558952328.db2.gz JEYLWPYHZJQDPV-QHCPKHFHSA-N 2 2 408.546 2.789 40 0 HFABLP COc1cccc(C[N@H+]2CCC[C@H]2C(=O)N2CCC[NH+](Cc3ccccn3)CC2)c1 ZINC000019661196 558952331 /nfs/dbraw/zinc/95/23/31/558952331.db2.gz JEYLWPYHZJQDPV-QHCPKHFHSA-N 2 2 408.546 2.789 40 0 HFABLP COc1cccc(C[NH+]2CCC[C@H]2C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)c1 ZINC000019661196 558952333 /nfs/dbraw/zinc/95/23/33/558952333.db2.gz JEYLWPYHZJQDPV-QHCPKHFHSA-N 2 2 408.546 2.789 40 0 HFABLP COc1cccc(C[NH+]2CCC[C@H]2C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)c1 ZINC000019661196 558952335 /nfs/dbraw/zinc/95/23/35/558952335.db2.gz JEYLWPYHZJQDPV-QHCPKHFHSA-N 2 2 408.546 2.789 40 0 HFABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](O)COC1CCCCC1 ZINC000585262555 559111103 /nfs/dbraw/zinc/11/11/03/559111103.db2.gz SWCBPTTZDBTUHT-NRFANRHFSA-N 2 2 406.567 2.540 40 0 HFABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](O)COC1CCCCC1 ZINC000585262555 559111105 /nfs/dbraw/zinc/11/11/05/559111105.db2.gz SWCBPTTZDBTUHT-NRFANRHFSA-N 2 2 406.567 2.540 40 0 HFABLP Cc1cc(N2CC[C@](O)(C[N@H+](C)Cc3ccc(OCc4ccccn4)cc3)C2)nc[nH+]1 ZINC000585269643 559115795 /nfs/dbraw/zinc/11/57/95/559115795.db2.gz FUJFIAWEBPXTPM-DEOSSOPVSA-N 2 2 419.529 2.832 40 0 HFABLP Cc1cc(N2CC[C@](O)(C[N@@H+](C)Cc3ccc(OCc4ccccn4)cc3)C2)nc[nH+]1 ZINC000585269643 559115798 /nfs/dbraw/zinc/11/57/98/559115798.db2.gz FUJFIAWEBPXTPM-DEOSSOPVSA-N 2 2 419.529 2.832 40 0 HFABLP C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCC[N@@H+]2CC(=O)N(C(C)C)C2CCCCC2)n1 ZINC000019760885 569429651 /nfs/dbraw/zinc/42/96/51/569429651.db2.gz ICAFQJRKZLDMNZ-HXUWFJFHSA-N 2 2 416.614 2.969 40 0 HFABLP C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCC[N@H+]2CC(=O)N(C(C)C)C2CCCCC2)n1 ZINC000019760885 569429652 /nfs/dbraw/zinc/42/96/52/569429652.db2.gz ICAFQJRKZLDMNZ-HXUWFJFHSA-N 2 2 416.614 2.969 40 0 HFABLP O=C(C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000036752843 558802985 /nfs/dbraw/zinc/80/29/85/558802985.db2.gz VPVUTAVNCJOMIO-INIZCTEOSA-N 2 2 403.486 2.803 40 0 HFABLP O=C(C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000036752843 558802986 /nfs/dbraw/zinc/80/29/86/558802986.db2.gz VPVUTAVNCJOMIO-INIZCTEOSA-N 2 2 403.486 2.803 40 0 HFABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](O)COC1CCCCC1 ZINC000585262562 559111163 /nfs/dbraw/zinc/11/11/63/559111163.db2.gz SWCBPTTZDBTUHT-OAQYLSRUSA-N 2 2 406.567 2.540 40 0 HFABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](O)COC1CCCCC1 ZINC000585262562 559111165 /nfs/dbraw/zinc/11/11/65/559111165.db2.gz SWCBPTTZDBTUHT-OAQYLSRUSA-N 2 2 406.567 2.540 40 0 HFABLP CCOc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000585274191 559118544 /nfs/dbraw/zinc/11/85/44/559118544.db2.gz UHNKJMUCVYSAII-QFIPXVFZSA-N 2 2 414.546 2.789 40 0 HFABLP CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000585274191 559118545 /nfs/dbraw/zinc/11/85/45/559118545.db2.gz UHNKJMUCVYSAII-QFIPXVFZSA-N 2 2 414.546 2.789 40 0 HFABLP CNC(=O)c1sc2nc([C@]3(C)CCC[N@@H+](C4CC[NH+](C)CC4)C3)ccc2c1N ZINC000257201311 568776354 /nfs/dbraw/zinc/77/63/54/568776354.db2.gz AHCYPNGFGLHTBM-OAQYLSRUSA-N 2 2 401.580 2.686 40 0 HFABLP CNC(=O)c1sc2nc([C@]3(C)CCC[N@H+](C4CC[NH+](C)CC4)C3)ccc2c1N ZINC000257201311 568776357 /nfs/dbraw/zinc/77/63/57/568776357.db2.gz AHCYPNGFGLHTBM-OAQYLSRUSA-N 2 2 401.580 2.686 40 0 HFABLP O[C@@H]1[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccccc1 ZINC000096533292 291230624 /nfs/dbraw/zinc/23/06/24/291230624.db2.gz VLCYTNCQOKSFGG-UUFXTFJOSA-N 2 2 408.542 2.584 40 0 biogenic,in-vitro HFABLP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN([C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019496365 558895224 /nfs/dbraw/zinc/89/52/24/558895224.db2.gz HRWNLWZLTCLSLP-OFNKIYASSA-N 2 2 409.578 2.918 40 0 HFABLP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN([C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019496365 558895227 /nfs/dbraw/zinc/89/52/27/558895227.db2.gz HRWNLWZLTCLSLP-OFNKIYASSA-N 2 2 409.578 2.918 40 0 HFABLP C[NH+]1CCN(Cc2nc(C3(O)CC[NH+](Cc4ccccc4F)CC3)cs2)CC1 ZINC000225471659 291220742 /nfs/dbraw/zinc/22/07/42/291220742.db2.gz SXHPQHGMGZEMQL-UHFFFAOYSA-N 2 2 404.555 2.513 40 0 biogenic,in-vitro HFABLP O[C@@H]1CC[N@H+](Cc2nc(C3(O)CC[NH+](C4CCC(F)(F)CC4)CC3)cs2)C1 ZINC000225422490 291230268 /nfs/dbraw/zinc/23/02/68/291230268.db2.gz SBIQMXRJEZCECV-OAHLLOKOSA-N 2 2 401.523 2.571 40 0 biogenic,in-vitro HFABLP O[C@@H]1CC[N@@H+](Cc2nc(C3(O)CC[NH+](C4CCC(F)(F)CC4)CC3)cs2)C1 ZINC000225422490 291230270 /nfs/dbraw/zinc/23/02/70/291230270.db2.gz SBIQMXRJEZCECV-OAHLLOKOSA-N 2 2 401.523 2.571 40 0 biogenic,in-vitro HFABLP C[C@H](C(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1)n1cc[nH+]c1 ZINC000019079951 558838921 /nfs/dbraw/zinc/83/89/21/558838921.db2.gz ACPZZZOQYSEPIB-MRXNPFEDSA-N 2 2 410.497 2.765 40 0 HFABLP C[NH+]1CCC(N(Cc2cccnc2)C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000019588166 558940070 /nfs/dbraw/zinc/94/00/70/558940070.db2.gz VGCBXJJLOSCLSQ-UHFFFAOYSA-N 2 2 408.546 2.650 40 0 HFABLP COc1cc(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)ccc1OCC(N)=O ZINC000019658724 558950706 /nfs/dbraw/zinc/95/07/06/558950706.db2.gz RQNZPSPJEZZCJC-MRXNPFEDSA-N 2 2 408.502 2.890 40 0 HFABLP COc1cc(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)ccc1OCC(N)=O ZINC000019658724 558950707 /nfs/dbraw/zinc/95/07/07/558950707.db2.gz RQNZPSPJEZZCJC-MRXNPFEDSA-N 2 2 408.502 2.890 40 0 HFABLP CCN(C(=O)C[N@@H+]1CCC[C@H](c2nc(C[NH2+]C)cc(N(C)C)n2)C1)c1cccc(C)c1 ZINC000019709636 569348096 /nfs/dbraw/zinc/34/80/96/569348096.db2.gz CSXUHZXYBOGJAB-IBGZPJMESA-N 2 2 424.593 2.803 40 0 HFABLP CCN(C(=O)C[N@H+]1CCC[C@H](c2nc(C[NH2+]C)cc(N(C)C)n2)C1)c1cccc(C)c1 ZINC000019709636 569348097 /nfs/dbraw/zinc/34/80/97/569348097.db2.gz CSXUHZXYBOGJAB-IBGZPJMESA-N 2 2 424.593 2.803 40 0 HFABLP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4cccnc4)n3)cn2)CC1 ZINC000049155136 291220670 /nfs/dbraw/zinc/22/06/70/291220670.db2.gz NMQGXMFOMXJDCS-IBGZPJMESA-N 2 2 405.506 2.616 40 0 biogenic,in-vitro HFABLP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4cccnc4)n3)cn2)CC1 ZINC000049155136 291220673 /nfs/dbraw/zinc/22/06/73/291220673.db2.gz NMQGXMFOMXJDCS-IBGZPJMESA-N 2 2 405.506 2.616 40 0 biogenic,in-vitro HFABLP C[NH+]1CCN(c2nccc(C[N@H+](CCCn3cc[nH+]c3)Cc3ccccc3F)n2)CC1 ZINC000019590137 558940563 /nfs/dbraw/zinc/94/05/63/558940563.db2.gz CPODLFAXEQNVJU-UHFFFAOYSA-N 3 2 423.540 2.657 40 0 HFABLP C[NH+]1CCN(c2nccc(C[N@@H+](CCCn3cc[nH+]c3)Cc3ccccc3F)n2)CC1 ZINC000019590137 558940564 /nfs/dbraw/zinc/94/05/64/558940564.db2.gz CPODLFAXEQNVJU-UHFFFAOYSA-N 3 2 423.540 2.657 40 0 HFABLP Cc1cccc(Nc2ccc(C3CC[NH+](CCC(=O)N4CCOCC4)CC3)nc2)[nH+]1 ZINC000072374183 558961449 /nfs/dbraw/zinc/96/14/49/558961449.db2.gz QBSJOYNIKCIWRN-UHFFFAOYSA-N 2 2 409.534 2.957 40 0 HFABLP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257228920 559283772 /nfs/dbraw/zinc/28/37/72/559283772.db2.gz FVWUFGXQOUJXQR-NRFANRHFSA-N 2 2 420.504 2.667 40 0 HFABLP Cn1ccnc1COc1ccc(C[N@H+]2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257228920 559283773 /nfs/dbraw/zinc/28/37/73/559283773.db2.gz FVWUFGXQOUJXQR-NRFANRHFSA-N 2 2 420.504 2.667 40 0 HFABLP CNC(=O)c1sc2nc([C@@]3(C)CCC[N@@H+](C4CC[NH+](C)CC4)C3)ccc2c1N ZINC000257201310 568776382 /nfs/dbraw/zinc/77/63/82/568776382.db2.gz AHCYPNGFGLHTBM-NRFANRHFSA-N 2 2 401.580 2.686 40 0 HFABLP CNC(=O)c1sc2nc([C@@]3(C)CCC[N@H+](C4CC[NH+](C)CC4)C3)ccc2c1N ZINC000257201310 568776385 /nfs/dbraw/zinc/77/63/85/568776385.db2.gz AHCYPNGFGLHTBM-NRFANRHFSA-N 2 2 401.580 2.686 40 0 HFABLP O[C@]1(C[NH2+]Cc2cccc(OCC[NH+]3CCCCC3)c2)CCN(c2cccc[nH+]2)C1 ZINC000585270699 559116431 /nfs/dbraw/zinc/11/64/31/559116431.db2.gz AORZNUFHMDSLFB-DEOSSOPVSA-N 3 2 410.562 2.677 40 0 HFABLP O=C(C[N@@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1)NCCc1nc2ccccc2[nH]1 ZINC000257309713 568807350 /nfs/dbraw/zinc/80/73/50/568807350.db2.gz UCCFHGNNZNPOBI-FQEVSTJZSA-N 2 2 415.501 2.639 40 0 HFABLP O=C(C[N@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1)NCCc1nc2ccccc2[nH]1 ZINC000257309713 568807352 /nfs/dbraw/zinc/80/73/52/568807352.db2.gz UCCFHGNNZNPOBI-FQEVSTJZSA-N 2 2 415.501 2.639 40 0 HFABLP COc1ccc(C[N@@H+]2CC[C@@H](c3cc(C(=O)N(C)C)n[nH]3)C2)cc1Cn1cc[nH+]c1C ZINC000019707699 569347967 /nfs/dbraw/zinc/34/79/67/569347967.db2.gz UAJLJMPKTXNQHF-GOSISDBHSA-N 2 2 422.533 2.663 40 0 HFABLP COc1ccc(C[N@H+]2CC[C@@H](c3cc(C(=O)N(C)C)n[nH]3)C2)cc1Cn1cc[nH+]c1C ZINC000019707699 569347968 /nfs/dbraw/zinc/34/79/68/569347968.db2.gz UAJLJMPKTXNQHF-GOSISDBHSA-N 2 2 422.533 2.663 40 0 HFABLP C[NH+]1CCN(Cc2nc(C3(O)CC[NH+](Cc4ccc(F)cc4)CC3)cs2)CC1 ZINC000225471701 291220706 /nfs/dbraw/zinc/22/07/06/291220706.db2.gz RAMSMVJKFSBFJM-UHFFFAOYSA-N 2 2 404.555 2.513 40 0 biogenic,in-vitro HFABLP CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nc3c(c(NC)n2)CC[NH2+]C3)cc1CO ZINC000019754869 558273741 /nfs/dbraw/zinc/27/37/41/558273741.db2.gz ZMGNBLYPQXLRCJ-FQEVSTJZSA-N 2 2 411.550 2.782 40 0 HFABLP CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nc3c(c(NC)n2)CC[NH2+]C3)cc1CO ZINC000019754869 558273744 /nfs/dbraw/zinc/27/37/44/558273744.db2.gz ZMGNBLYPQXLRCJ-FQEVSTJZSA-N 2 2 411.550 2.782 40 0 HFABLP CC(C)NC(=O)Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc21 ZINC000036741513 558802345 /nfs/dbraw/zinc/80/23/45/558802345.db2.gz SSPBOEGFCQYBQB-FQEVSTJZSA-N 2 2 412.578 2.710 40 0 HFABLP CC(C)NC(=O)Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc21 ZINC000036741513 558802347 /nfs/dbraw/zinc/80/23/47/558802347.db2.gz SSPBOEGFCQYBQB-FQEVSTJZSA-N 2 2 412.578 2.710 40 0 HFABLP C[NH+]1CCN(c2nccc(C[N@H+](CCc3ccccc3)Cc3ccccn3)n2)CC1 ZINC000019590138 558940634 /nfs/dbraw/zinc/94/06/34/558940634.db2.gz RPPNZQLNOAQWDB-UHFFFAOYSA-N 2 2 402.546 2.868 40 0 HFABLP C[NH+]1CCN(c2nccc(C[N@@H+](CCc3ccccc3)Cc3ccccn3)n2)CC1 ZINC000019590138 558940635 /nfs/dbraw/zinc/94/06/35/558940635.db2.gz RPPNZQLNOAQWDB-UHFFFAOYSA-N 2 2 402.546 2.868 40 0 HFABLP O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000257201604 568776494 /nfs/dbraw/zinc/77/64/94/568776494.db2.gz AIHMQFZDSSRIIX-YPAWHYETSA-N 2 2 412.534 2.632 40 0 HFABLP Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000257255277 568791698 /nfs/dbraw/zinc/79/16/98/568791698.db2.gz KGWCMEGBUYDLFV-OAQYLSRUSA-N 2 2 409.469 2.530 40 0 HFABLP Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000257255277 568791701 /nfs/dbraw/zinc/79/17/01/568791701.db2.gz KGWCMEGBUYDLFV-OAQYLSRUSA-N 2 2 409.469 2.530 40 0 HFABLP COCC[NH+]1CCN(C(=O)[C@@H]2Cc3cn(C)c4cccc(c34)[C@H](CC(C)C)[NH2+]2)CC1 ZINC000049171519 291221966 /nfs/dbraw/zinc/22/19/66/291221966.db2.gz LFTIXJNMPRZMCI-SFTDATJTSA-N 2 2 412.578 2.570 40 0 biogenic,in-vitro HFABLP COc1cc(C[NH2+]CC[NH2+]CCO)cc(Br)c1OCc1ccccc1 ZINC000022075131 558462522 /nfs/dbraw/zinc/46/25/22/558462522.db2.gz YLZXGELGTYPAEQ-UHFFFAOYSA-N 2 2 409.324 2.708 40 0 HFABLP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN([C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019496366 558895256 /nfs/dbraw/zinc/89/52/56/558895256.db2.gz HRWNLWZLTCLSLP-REWPJTCUSA-N 2 2 409.578 2.918 40 0 HFABLP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN([C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000019496366 558895259 /nfs/dbraw/zinc/89/52/59/558895259.db2.gz HRWNLWZLTCLSLP-REWPJTCUSA-N 2 2 409.578 2.918 40 0 HFABLP COc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269642 559115837 /nfs/dbraw/zinc/11/58/37/559115837.db2.gz FOVOWTROKBMMFR-XMMPIXPASA-N 2 2 414.546 2.525 40 0 HFABLP COc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269642 559115838 /nfs/dbraw/zinc/11/58/38/559115838.db2.gz FOVOWTROKBMMFR-XMMPIXPASA-N 2 2 414.546 2.525 40 0 HFABLP COc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269642 559115839 /nfs/dbraw/zinc/11/58/39/559115839.db2.gz FOVOWTROKBMMFR-XMMPIXPASA-N 2 2 414.546 2.525 40 0 HFABLP COc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269642 559115840 /nfs/dbraw/zinc/11/58/40/559115840.db2.gz FOVOWTROKBMMFR-XMMPIXPASA-N 2 2 414.546 2.525 40 0 HFABLP CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCC[NH+]1CCCC1 ZINC000257335180 568814672 /nfs/dbraw/zinc/81/46/72/568814672.db2.gz YIYSFIRHDUNAHF-XMMPIXPASA-N 2 2 408.546 2.794 40 0 HFABLP CNC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCC[NH+]1CCCC1 ZINC000257335180 568814674 /nfs/dbraw/zinc/81/46/74/568814674.db2.gz YIYSFIRHDUNAHF-XMMPIXPASA-N 2 2 408.546 2.794 40 0 HFABLP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccncc4)n3)cn2)CC1 ZINC000049155139 291220645 /nfs/dbraw/zinc/22/06/45/291220645.db2.gz VIMQTKAQOQQQKG-IBGZPJMESA-N 2 2 405.506 2.616 40 0 biogenic,in-vitro HFABLP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccncc4)n3)cn2)CC1 ZINC000049155139 291220648 /nfs/dbraw/zinc/22/06/48/291220648.db2.gz VIMQTKAQOQQQKG-IBGZPJMESA-N 2 2 405.506 2.616 40 0 biogenic,in-vitro HFABLP CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCOCC2)c1 ZINC000012601836 291226489 /nfs/dbraw/zinc/22/64/89/291226489.db2.gz POZQLLWBYIXIPJ-JENIJYKNSA-N 2 2 404.580 2.573 40 0 biogenic,in-vitro HFABLP C[C@@H](C(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1)n1cc[nH+]c1 ZINC000019079947 558838913 /nfs/dbraw/zinc/83/89/13/558838913.db2.gz ACPZZZOQYSEPIB-INIZCTEOSA-N 2 2 410.497 2.765 40 0 HFABLP Cc1ccc[nH+]c1Nc1ccc([C@H]2CCC[N@H+](CCC(=O)N3CCOCC3)C2)nc1 ZINC000072353279 558950110 /nfs/dbraw/zinc/95/01/10/558950110.db2.gz OMXKGMVUMZAVSP-IBGZPJMESA-N 2 2 409.534 2.957 40 0 HFABLP Cc1ccc[nH+]c1Nc1ccc([C@H]2CCC[N@@H+](CCC(=O)N3CCOCC3)C2)nc1 ZINC000072353279 558950111 /nfs/dbraw/zinc/95/01/11/558950111.db2.gz OMXKGMVUMZAVSP-IBGZPJMESA-N 2 2 409.534 2.957 40 0 HFABLP COc1ccc([C@H]2NC3=[NH+]CN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)cc1 ZINC000009262553 560758319 /nfs/dbraw/zinc/75/83/19/560758319.db2.gz LERWOPPXLDMQGP-NRFANRHFSA-N 2 2 419.533 2.540 40 0 HFABLP Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)nc(C2(C)CC[NH+](C)CC2)n1 ZINC000257246981 568789507 /nfs/dbraw/zinc/78/95/07/568789507.db2.gz IWUUSKOMUAYARL-OAQYLSRUSA-N 2 2 407.562 2.897 40 0 HFABLP Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nc(C2(C)CC[NH+](C)CC2)n1 ZINC000257246981 568789509 /nfs/dbraw/zinc/78/95/09/568789509.db2.gz IWUUSKOMUAYARL-OAQYLSRUSA-N 2 2 407.562 2.897 40 0 HFABLP CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccs2)C[C@]12CC[NH+](Cc1ccccc1)C2 ZINC000306133892 568895870 /nfs/dbraw/zinc/89/58/70/568895870.db2.gz MYPBWZGBZMZKSP-SFTDATJTSA-N 2 2 419.616 2.764 40 0 HFABLP CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccs2)C[C@]12CC[NH+](Cc1ccccc1)C2 ZINC000306133892 568895872 /nfs/dbraw/zinc/89/58/72/568895872.db2.gz MYPBWZGBZMZKSP-SFTDATJTSA-N 2 2 419.616 2.764 40 0 HFABLP CS(=O)(=O)N[C@H]1CC[NH+](Cc2cccs2)C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306133892 568895873 /nfs/dbraw/zinc/89/58/73/568895873.db2.gz MYPBWZGBZMZKSP-SFTDATJTSA-N 2 2 419.616 2.764 40 0 HFABLP CS(=O)(=O)N[C@H]1CC[NH+](Cc2cccs2)C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306133892 568895876 /nfs/dbraw/zinc/89/58/76/568895876.db2.gz MYPBWZGBZMZKSP-SFTDATJTSA-N 2 2 419.616 2.764 40 0 HFABLP C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCC[N@@H+]2CC(=O)N(C(C)C)C2CCCCC2)n1 ZINC000019760882 569429592 /nfs/dbraw/zinc/42/95/92/569429592.db2.gz ICAFQJRKZLDMNZ-FQEVSTJZSA-N 2 2 416.614 2.969 40 0 HFABLP C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCC[N@H+]2CC(=O)N(C(C)C)C2CCCCC2)n1 ZINC000019760882 569429595 /nfs/dbraw/zinc/42/95/95/569429595.db2.gz ICAFQJRKZLDMNZ-FQEVSTJZSA-N 2 2 416.614 2.969 40 0 HFABLP C[C@H](CCC(=O)N1CCN([C@@H](c2[nH+]ccn2C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000019455578 558891817 /nfs/dbraw/zinc/89/18/17/558891817.db2.gz UYOHZCNGGLLKKV-NFBKMPQASA-N 2 2 409.578 2.918 40 0 HFABLP Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@]3(O)CCN(c4cccc[nH+]4)C3)cc2)n1 ZINC000585271505 559115787 /nfs/dbraw/zinc/11/57/87/559115787.db2.gz ZKRGOWGABXIBPB-XMMPIXPASA-N 2 2 421.545 2.705 40 0 HFABLP Cn1c(CNC(=O)C[N@@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)nc2ccccc21 ZINC000257318163 568809752 /nfs/dbraw/zinc/80/97/52/568809752.db2.gz VMSXAFGKLKWHCZ-FQEVSTJZSA-N 2 2 415.501 2.607 40 0 HFABLP Cn1c(CNC(=O)C[N@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)nc2ccccc21 ZINC000257318163 568809753 /nfs/dbraw/zinc/80/97/53/568809753.db2.gz VMSXAFGKLKWHCZ-FQEVSTJZSA-N 2 2 415.501 2.607 40 0 HFABLP CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccs2)C[C@@]12CC[NH+](Cc1ccccc1)C2 ZINC000306133889 568895797 /nfs/dbraw/zinc/89/57/97/568895797.db2.gz MYPBWZGBZMZKSP-LEWJYISDSA-N 2 2 419.616 2.764 40 0 HFABLP CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccs2)C[C@@]12CC[NH+](Cc1ccccc1)C2 ZINC000306133889 568895800 /nfs/dbraw/zinc/89/58/00/568895800.db2.gz MYPBWZGBZMZKSP-LEWJYISDSA-N 2 2 419.616 2.764 40 0 HFABLP CS(=O)(=O)N[C@H]1CC[NH+](Cc2cccs2)C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306133889 568895803 /nfs/dbraw/zinc/89/58/03/568895803.db2.gz MYPBWZGBZMZKSP-LEWJYISDSA-N 2 2 419.616 2.764 40 0 HFABLP CS(=O)(=O)N[C@H]1CC[NH+](Cc2cccs2)C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306133889 568895805 /nfs/dbraw/zinc/89/58/05/568895805.db2.gz MYPBWZGBZMZKSP-LEWJYISDSA-N 2 2 419.616 2.764 40 0 HFABLP COc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)N2CCC[NH+](Cc3ccccn3)CC2)c1 ZINC000019661193 558952309 /nfs/dbraw/zinc/95/23/09/558952309.db2.gz JEYLWPYHZJQDPV-HSZRJFAPSA-N 2 2 408.546 2.789 40 0 HFABLP COc1cccc(C[N@H+]2CCC[C@@H]2C(=O)N2CCC[NH+](Cc3ccccn3)CC2)c1 ZINC000019661193 558952312 /nfs/dbraw/zinc/95/23/12/558952312.db2.gz JEYLWPYHZJQDPV-HSZRJFAPSA-N 2 2 408.546 2.789 40 0 HFABLP COc1cccc(C[NH+]2CCC[C@@H]2C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)c1 ZINC000019661193 558952313 /nfs/dbraw/zinc/95/23/13/558952313.db2.gz JEYLWPYHZJQDPV-HSZRJFAPSA-N 2 2 408.546 2.789 40 0 HFABLP COc1cccc(C[NH+]2CCC[C@@H]2C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)c1 ZINC000019661193 558952315 /nfs/dbraw/zinc/95/23/15/558952315.db2.gz JEYLWPYHZJQDPV-HSZRJFAPSA-N 2 2 408.546 2.789 40 0 HFABLP CCOc1cc(C[N@H+](C)C[C@H](O)c2ccccc2)ccc1OCC[NH+]1CCOCC1 ZINC000585272070 559117809 /nfs/dbraw/zinc/11/78/09/559117809.db2.gz ITHBNRCPMXSBQL-QFIPXVFZSA-N 2 2 414.546 2.962 40 0 HFABLP CCOc1cc(C[N@@H+](C)C[C@H](O)c2ccccc2)ccc1OCC[NH+]1CCOCC1 ZINC000585272070 559117811 /nfs/dbraw/zinc/11/78/11/559117811.db2.gz ITHBNRCPMXSBQL-QFIPXVFZSA-N 2 2 414.546 2.962 40 0 HFABLP CCOc1ccccc1OC[C@H](O)C[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000585274183 559118452 /nfs/dbraw/zinc/11/84/52/559118452.db2.gz UHNKJMUCVYSAII-JOCHJYFZSA-N 2 2 414.546 2.789 40 0 HFABLP CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000585274183 559118453 /nfs/dbraw/zinc/11/84/53/559118453.db2.gz UHNKJMUCVYSAII-JOCHJYFZSA-N 2 2 414.546 2.789 40 0 HFABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)C5CCCCC5)c43)C2)CC1 ZINC000020503704 575370207 /nfs/dbraw/zinc/37/02/07/575370207.db2.gz JNKHOYRPVPFPQZ-PKOBYXMFSA-N 2 2 412.578 2.880 40 0 biogenic,in-vitro HFABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)C5CCCCC5)c43)C2)CC1 ZINC000020503704 575370212 /nfs/dbraw/zinc/37/02/12/575370212.db2.gz JNKHOYRPVPFPQZ-PKOBYXMFSA-N 2 2 412.578 2.880 40 0 biogenic,in-vitro HFABLP Cc1cc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCCO4)CC2)nc(C(C)C)[nH+]1 ZINC000012330616 132358925 /nfs/dbraw/zinc/35/89/25/132358925.db2.gz VOBFEIVESOZZAK-LJQANCHMSA-N 2 2 412.534 2.925 40 0 HFABLP COc1ccc(C[N@@H+]2CC=CC[C@@]3(C(=O)N4CC[NH+](C)CC4)CCC[C@@H]23)c(F)c1 ZINC000012326469 558383253 /nfs/dbraw/zinc/38/32/53/558383253.db2.gz DCBPSHMAGULYMU-FYYLOGMGSA-N 2 2 401.526 2.909 40 0 HFABLP COc1ccc(C[N@H+]2CC=CC[C@@]3(C(=O)N4CC[NH+](C)CC4)CCC[C@@H]23)c(F)c1 ZINC000012326469 558383255 /nfs/dbraw/zinc/38/32/55/558383255.db2.gz DCBPSHMAGULYMU-FYYLOGMGSA-N 2 2 401.526 2.909 40 0 HFABLP C[NH+](C)C1CCN(C(=O)C2=NO[C@@]3(CC[N@H+](Cc4ccc(Cl)c(F)c4)C3)C2)CC1 ZINC000096225685 559102474 /nfs/dbraw/zinc/10/24/74/559102474.db2.gz SVQDNNBTNMAILX-NRFANRHFSA-N 2 2 422.932 2.753 40 0 HFABLP C[NH+](C)C1CCN(C(=O)C2=NO[C@@]3(CC[N@@H+](Cc4ccc(Cl)c(F)c4)C3)C2)CC1 ZINC000096225685 559102475 /nfs/dbraw/zinc/10/24/75/559102475.db2.gz SVQDNNBTNMAILX-NRFANRHFSA-N 2 2 422.932 2.753 40 0 HFABLP CNc1cc(CN(C)C(=O)C[N@H+](C)Cc2ccc(F)cc2)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019709945 568838705 /nfs/dbraw/zinc/83/87/05/568838705.db2.gz QROSIUKPJARJOC-IBGZPJMESA-N 2 2 414.529 2.562 40 0 HFABLP CNc1cc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(F)cc2)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019709945 568838706 /nfs/dbraw/zinc/83/87/06/568838706.db2.gz QROSIUKPJARJOC-IBGZPJMESA-N 2 2 414.529 2.562 40 0 HFABLP CNc1cc(C[NH2+]C)nc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2OC)OCCCO3)n1 ZINC000019760589 569429584 /nfs/dbraw/zinc/42/95/84/569429584.db2.gz YTGVXMHQFRXLFQ-QGZVFWFLSA-N 2 2 413.522 2.745 40 0 HFABLP CNc1cc(C[NH2+]C)nc([C@H]2CCC[N@H+]2Cc2cc3c(cc2OC)OCCCO3)n1 ZINC000019760589 569429586 /nfs/dbraw/zinc/42/95/86/569429586.db2.gz YTGVXMHQFRXLFQ-QGZVFWFLSA-N 2 2 413.522 2.745 40 0 HFABLP O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408577338 557480361 /nfs/dbraw/zinc/48/03/61/557480361.db2.gz ZDHLQNDYVPDHGC-QPJJXVBHSA-N 2 2 405.542 2.990 40 0 HFABLP COc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)ccc1OCC(N)=O ZINC000019658722 558950683 /nfs/dbraw/zinc/95/06/83/558950683.db2.gz RQNZPSPJEZZCJC-INIZCTEOSA-N 2 2 408.502 2.890 40 0 HFABLP COc1cc(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)ccc1OCC(N)=O ZINC000019658722 558950686 /nfs/dbraw/zinc/95/06/86/558950686.db2.gz RQNZPSPJEZZCJC-INIZCTEOSA-N 2 2 408.502 2.890 40 0 HFABLP O[C@@]1(C[NH+]2CCN(c3ccccc3)CC2)CC[N@H+](Cc2ccc(OCCF)cc2)C1 ZINC000257310764 559286171 /nfs/dbraw/zinc/28/61/71/559286171.db2.gz UGLFTBVNKQKYPE-XMMPIXPASA-N 2 2 413.537 2.794 40 0 HFABLP O[C@@]1(C[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+](Cc2ccc(OCCF)cc2)C1 ZINC000257310764 559286173 /nfs/dbraw/zinc/28/61/73/559286173.db2.gz UGLFTBVNKQKYPE-XMMPIXPASA-N 2 2 413.537 2.794 40 0 HFABLP COCCNc1[nH+]c(C2CC[NH+](CC(=O)Nc3ccn(C)n3)CC2)cc2ccccc21 ZINC000257315883 568809089 /nfs/dbraw/zinc/80/90/89/568809089.db2.gz VDCQAUFWCWGAJC-UHFFFAOYSA-N 2 2 422.533 2.845 40 0 HFABLP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN([C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000248112001 569316169 /nfs/dbraw/zinc/31/61/69/569316169.db2.gz HRWNLWZLTCLSLP-NFBKMPQASA-N 2 2 409.578 2.918 40 0 HFABLP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN([C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000248112001 569316171 /nfs/dbraw/zinc/31/61/71/569316171.db2.gz HRWNLWZLTCLSLP-NFBKMPQASA-N 2 2 409.578 2.918 40 0 HFABLP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN([C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000248112005 569316262 /nfs/dbraw/zinc/31/62/62/569316262.db2.gz HRWNLWZLTCLSLP-NZQKXSOJSA-N 2 2 409.578 2.918 40 0 HFABLP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN([C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000248112005 569316263 /nfs/dbraw/zinc/31/62/63/569316263.db2.gz HRWNLWZLTCLSLP-NZQKXSOJSA-N 2 2 409.578 2.918 40 0 HFABLP COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CC[NH+](Cc3ccccn3)CC2)cs1 ZINC000225423161 291222339 /nfs/dbraw/zinc/22/23/39/291222339.db2.gz WCJOGDFYOSJTJY-GOSISDBHSA-N 2 2 402.564 2.633 40 0 biogenic,in-vitro HFABLP COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH+](Cc3ccccn3)CC2)cs1 ZINC000225423161 291222342 /nfs/dbraw/zinc/22/23/42/291222342.db2.gz WCJOGDFYOSJTJY-GOSISDBHSA-N 2 2 402.564 2.633 40 0 biogenic,in-vitro HFABLP O[C@@H]1[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]CC1CCCCC1 ZINC000012483426 291230345 /nfs/dbraw/zinc/23/03/45/291230345.db2.gz QQWPTAXZUKURDP-UUFXTFJOSA-N 2 2 414.590 2.964 40 0 biogenic,in-vitro HFABLP CCc1[nH+]ccn1CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000019523607 558904673 /nfs/dbraw/zinc/90/46/73/558904673.db2.gz JRHUKKSITQICQF-HXUWFJFHSA-N 2 2 414.525 2.603 40 0 HFABLP CCc1[nH+]ccn1CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000019523607 558904676 /nfs/dbraw/zinc/90/46/76/558904676.db2.gz JRHUKKSITQICQF-HXUWFJFHSA-N 2 2 414.525 2.603 40 0 HFABLP C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)CC1 ZINC000257221443 568782526 /nfs/dbraw/zinc/78/25/26/568782526.db2.gz DPBDNJSVPUOHKY-SFTDATJTSA-N 2 2 414.525 2.501 40 0 HFABLP Cc1cc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)nc(C2(C)CC[NH+](C)CC2)n1 ZINC000257246980 568789554 /nfs/dbraw/zinc/78/95/54/568789554.db2.gz IWUUSKOMUAYARL-NRFANRHFSA-N 2 2 407.562 2.897 40 0 HFABLP Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)nc(C2(C)CC[NH+](C)CC2)n1 ZINC000257246980 568789555 /nfs/dbraw/zinc/78/95/55/568789555.db2.gz IWUUSKOMUAYARL-NRFANRHFSA-N 2 2 407.562 2.897 40 0 HFABLP Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000257255276 568791652 /nfs/dbraw/zinc/79/16/52/568791652.db2.gz KGWCMEGBUYDLFV-NRFANRHFSA-N 2 2 409.469 2.530 40 0 HFABLP Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000257255276 568791654 /nfs/dbraw/zinc/79/16/54/568791654.db2.gz KGWCMEGBUYDLFV-NRFANRHFSA-N 2 2 409.469 2.530 40 0 HFABLP O=C(NCC(F)(F)F)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000585108741 559030116 /nfs/dbraw/zinc/03/01/16/559030116.db2.gz RDINEVVGHHZXBR-CGTJXYLNSA-N 2 2 408.424 2.530 40 0 HFABLP O=C(NCC(F)(F)F)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000585108741 559030118 /nfs/dbraw/zinc/03/01/18/559030118.db2.gz RDINEVVGHHZXBR-CGTJXYLNSA-N 2 2 408.424 2.530 40 0 HFABLP Cc1[nH+]ccn1C[C@@]1(O)CN(C(=O)c2ccccc2Nc2ccccc2)CC[N@@H+](C)C1 ZINC000585261741 559109348 /nfs/dbraw/zinc/10/93/48/559109348.db2.gz CYJNCOJUDQTCME-XMMPIXPASA-N 2 2 419.529 2.754 40 0 HFABLP Cc1[nH+]ccn1C[C@@]1(O)CN(C(=O)c2ccccc2Nc2ccccc2)CC[N@H+](C)C1 ZINC000585261741 559109349 /nfs/dbraw/zinc/10/93/49/559109349.db2.gz CYJNCOJUDQTCME-XMMPIXPASA-N 2 2 419.529 2.754 40 0 HFABLP Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@@]3(O)CCN(c4cccc[nH+]4)C3)cc2)n1 ZINC000585271475 559115874 /nfs/dbraw/zinc/11/58/74/559115874.db2.gz ZKRGOWGABXIBPB-DEOSSOPVSA-N 2 2 421.545 2.705 40 0 HFABLP COc1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)ccc1OCC[NH+]1CCOCC1 ZINC000585272009 559117907 /nfs/dbraw/zinc/11/79/07/559117907.db2.gz IJRNUSRQNVBAGS-OAQYLSRUSA-N 2 2 400.519 2.572 40 0 HFABLP COc1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2)ccc1OCC[NH+]1CCOCC1 ZINC000585272009 559117908 /nfs/dbraw/zinc/11/79/08/559117908.db2.gz IJRNUSRQNVBAGS-OAQYLSRUSA-N 2 2 400.519 2.572 40 0 HFABLP CC(C)NC(=O)Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c2ccccc21 ZINC000036741512 558802254 /nfs/dbraw/zinc/80/22/54/558802254.db2.gz SSPBOEGFCQYBQB-HXUWFJFHSA-N 2 2 412.578 2.710 40 0 HFABLP CC(C)NC(=O)Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c2ccccc21 ZINC000036741512 558802256 /nfs/dbraw/zinc/80/22/56/558802256.db2.gz SSPBOEGFCQYBQB-HXUWFJFHSA-N 2 2 412.578 2.710 40 0 HFABLP CCc1[nH+]ccn1CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000019523606 558904750 /nfs/dbraw/zinc/90/47/50/558904750.db2.gz JRHUKKSITQICQF-FQEVSTJZSA-N 2 2 414.525 2.603 40 0 HFABLP CCc1[nH+]ccn1CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000019523606 558904751 /nfs/dbraw/zinc/90/47/51/558904751.db2.gz JRHUKKSITQICQF-FQEVSTJZSA-N 2 2 414.525 2.603 40 0 HFABLP C[NH+]1CCN(c2nc(-c3ccccn3)nc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000072337413 558937811 /nfs/dbraw/zinc/93/78/11/558937811.db2.gz YCXPEOUKUFYZJW-UHFFFAOYSA-N 2 2 400.530 2.849 40 0 HFABLP C[NH+]1CCN(c2nc(-c3ccccn3)nc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000072337413 558937813 /nfs/dbraw/zinc/93/78/13/558937813.db2.gz YCXPEOUKUFYZJW-UHFFFAOYSA-N 2 2 400.530 2.849 40 0 HFABLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944347 558746163 /nfs/dbraw/zinc/74/61/63/558746163.db2.gz WYZQNEFREOANCI-MRXNPFEDSA-N 2 2 400.350 2.654 40 0 HFABLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944347 558746165 /nfs/dbraw/zinc/74/61/65/558746165.db2.gz WYZQNEFREOANCI-MRXNPFEDSA-N 2 2 400.350 2.654 40 0 HFABLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944360 558746210 /nfs/dbraw/zinc/74/62/10/558746210.db2.gz XTVXOGBIKAPLSI-HNNXBMFYSA-N 2 2 400.350 2.654 40 0 HFABLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944360 558746212 /nfs/dbraw/zinc/74/62/12/558746212.db2.gz XTVXOGBIKAPLSI-HNNXBMFYSA-N 2 2 400.350 2.654 40 0 HFABLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019291513 558863833 /nfs/dbraw/zinc/86/38/33/558863833.db2.gz QZMBDJRPLADFSZ-NHCUHLMSSA-N 2 2 420.488 2.807 40 0 HFABLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019291513 558863836 /nfs/dbraw/zinc/86/38/36/558863836.db2.gz QZMBDJRPLADFSZ-NHCUHLMSSA-N 2 2 420.488 2.807 40 0 HFABLP C[NH+](C)C1CCN(C(=O)C2=NO[C@]3(CC[N@H+](Cc4ccc(Cl)c(F)c4)C3)C2)CC1 ZINC000096225684 559102461 /nfs/dbraw/zinc/10/24/61/559102461.db2.gz SVQDNNBTNMAILX-OAQYLSRUSA-N 2 2 422.932 2.753 40 0 HFABLP C[NH+](C)C1CCN(C(=O)C2=NO[C@]3(CC[N@@H+](Cc4ccc(Cl)c(F)c4)C3)C2)CC1 ZINC000096225684 559102462 /nfs/dbraw/zinc/10/24/62/559102462.db2.gz SVQDNNBTNMAILX-OAQYLSRUSA-N 2 2 422.932 2.753 40 0 HFABLP Cc1[nH+]ccn1C[C@]1(O)CN(C(=O)c2ccccc2Nc2ccccc2)CC[N@@H+](C)C1 ZINC000585261737 559109362 /nfs/dbraw/zinc/10/93/62/559109362.db2.gz CYJNCOJUDQTCME-DEOSSOPVSA-N 2 2 419.529 2.754 40 0 HFABLP Cc1[nH+]ccn1C[C@]1(O)CN(C(=O)c2ccccc2Nc2ccccc2)CC[N@H+](C)C1 ZINC000585261737 559109363 /nfs/dbraw/zinc/10/93/63/559109363.db2.gz CYJNCOJUDQTCME-DEOSSOPVSA-N 2 2 419.529 2.754 40 0 HFABLP COc1cc(C[N@H+](C)C[C@H](O)c2ccccc2)ccc1OCC[NH+]1CCOCC1 ZINC000585272008 559117841 /nfs/dbraw/zinc/11/78/41/559117841.db2.gz IJRNUSRQNVBAGS-NRFANRHFSA-N 2 2 400.519 2.572 40 0 HFABLP COc1cc(C[N@@H+](C)C[C@H](O)c2ccccc2)ccc1OCC[NH+]1CCOCC1 ZINC000585272008 559117843 /nfs/dbraw/zinc/11/78/43/559117843.db2.gz IJRNUSRQNVBAGS-NRFANRHFSA-N 2 2 400.519 2.572 40 0 HFABLP O[C@]1(C[NH+]2CCN(c3ccccc3)CC2)CC[N@H+](Cc2ccc(OCCF)cc2)C1 ZINC000257310763 559286193 /nfs/dbraw/zinc/28/61/93/559286193.db2.gz UGLFTBVNKQKYPE-DEOSSOPVSA-N 2 2 413.537 2.794 40 0 HFABLP O[C@]1(C[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+](Cc2ccc(OCCF)cc2)C1 ZINC000257310763 559286195 /nfs/dbraw/zinc/28/61/95/559286195.db2.gz UGLFTBVNKQKYPE-DEOSSOPVSA-N 2 2 413.537 2.794 40 0 HFABLP CCn1c2ccccc2[nH+]c1N1CCN(C(=S)NCCC[NH+](CC)CC)CC1 ZINC000012481410 560780684 /nfs/dbraw/zinc/78/06/84/560780684.db2.gz SGZMPXWZZZYHHJ-UHFFFAOYSA-N 2 2 402.612 2.785 40 0 HFABLP c1ccc(C[N@@H+]2CCCN(c3nc(N4CCOCC4)c4c([nH+]3)CCCC4)CC2)cc1 ZINC000026456238 568549673 /nfs/dbraw/zinc/54/96/73/568549673.db2.gz ZWEABKOBBNJTJB-UHFFFAOYSA-N 2 2 407.562 2.904 40 0 HFABLP c1ccc(C[N@H+]2CCCN(c3nc(N4CCOCC4)c4c([nH+]3)CCCC4)CC2)cc1 ZINC000026456238 568549675 /nfs/dbraw/zinc/54/96/75/568549675.db2.gz ZWEABKOBBNJTJB-UHFFFAOYSA-N 2 2 407.562 2.904 40 0 HFABLP CCc1nnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)C[NH+]4CCCC4)CCO3)c2)s1 ZINC000257210054 568778927 /nfs/dbraw/zinc/77/89/27/568778927.db2.gz BSYANGRNUVKOLD-KRWDZBQOSA-N 2 2 416.551 2.543 40 0 HFABLP COc1ncccc1C[NH+]1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3cccs3)n12 ZINC000306132242 568894451 /nfs/dbraw/zinc/89/44/51/568894451.db2.gz LCSLWMWARMKQEW-UHFFFAOYSA-N 2 2 410.547 2.847 40 0 HFABLP COc1ncccc1C[NH+]1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3cccs3)n12 ZINC000306132242 568894453 /nfs/dbraw/zinc/89/44/53/568894453.db2.gz LCSLWMWARMKQEW-UHFFFAOYSA-N 2 2 410.547 2.847 40 0 HFABLP CCc1cc(N2CCc3ccc(Br)cc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329072404 571309711 /nfs/dbraw/zinc/30/97/11/571309711.db2.gz ZXQIJZIYAUIWPR-UHFFFAOYSA-N 2 2 404.356 3.338 40 0 HFABLP CCc1nnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)C[NH+]4CCCC4)CCO3)c2)s1 ZINC000257210055 568779243 /nfs/dbraw/zinc/77/92/43/568779243.db2.gz BSYANGRNUVKOLD-QGZVFWFLSA-N 2 2 416.551 2.543 40 0 HFABLP Cn1c(CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)nc2ccccc21 ZINC000257318164 568809747 /nfs/dbraw/zinc/80/97/47/568809747.db2.gz VMSXAFGKLKWHCZ-HXUWFJFHSA-N 2 2 415.501 2.607 40 0 HFABLP Cn1c(CNC(=O)C[N@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)nc2ccccc21 ZINC000257318164 568809748 /nfs/dbraw/zinc/80/97/48/568809748.db2.gz VMSXAFGKLKWHCZ-HXUWFJFHSA-N 2 2 415.501 2.607 40 0 HFABLP O=C(C[NH+]1CCC(O)(c2ccccc2)CC1)N1CC[NH+](/C=C/c2ccccc2)CC1 ZINC000001589317 557274844 /nfs/dbraw/zinc/27/48/44/557274844.db2.gz IFNOUGMPJJULLQ-SDNWHVSQSA-N 2 2 405.542 2.785 40 0 HFABLP C[C@H](CCC(=O)N1CCN([C@H](c2[nH+]ccn2C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000019455574 558891845 /nfs/dbraw/zinc/89/18/45/558891845.db2.gz UYOHZCNGGLLKKV-OFNKIYASSA-N 2 2 409.578 2.918 40 0 HFABLP O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC000096090575 559095171 /nfs/dbraw/zinc/09/51/71/559095171.db2.gz BJOQEGDXVHMAMJ-REWPJTCUSA-N 2 2 411.571 2.656 40 0 HFABLP O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC000096090575 559095172 /nfs/dbraw/zinc/09/51/72/559095172.db2.gz BJOQEGDXVHMAMJ-REWPJTCUSA-N 2 2 411.571 2.656 40 0 HFABLP O[C@@]1(C[NH2+]Cc2cccc(OCC[NH+]3CCCCC3)c2)CCN(c2cccc[nH+]2)C1 ZINC000585270708 559116508 /nfs/dbraw/zinc/11/65/08/559116508.db2.gz AORZNUFHMDSLFB-XMMPIXPASA-N 3 2 410.562 2.677 40 0 HFABLP CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329013616 571309783 /nfs/dbraw/zinc/30/97/83/571309783.db2.gz MRNLLNMFLOHWFZ-UHFFFAOYSA-N 2 2 409.456 3.474 40 0 HFABLP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3c(c(NC)n2)CC[NH2+]C3)cc1CO ZINC000019754867 558273758 /nfs/dbraw/zinc/27/37/58/558273758.db2.gz ZMGNBLYPQXLRCJ-HXUWFJFHSA-N 2 2 411.550 2.782 40 0 HFABLP CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nc3c(c(NC)n2)CC[NH2+]C3)cc1CO ZINC000019754867 558273760 /nfs/dbraw/zinc/27/37/60/558273760.db2.gz ZMGNBLYPQXLRCJ-HXUWFJFHSA-N 2 2 411.550 2.782 40 0 HFABLP C[C@@H](CCC(=O)N1CCN([C@@H](c2[nH+]ccn2C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000019455576 558891877 /nfs/dbraw/zinc/89/18/77/558891877.db2.gz UYOHZCNGGLLKKV-NZQKXSOJSA-N 2 2 409.578 2.918 40 0 HFABLP CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccs2)C[C@]12CC[NH+](Cc1ccccc1)C2 ZINC000306133891 568895921 /nfs/dbraw/zinc/89/59/21/568895921.db2.gz MYPBWZGBZMZKSP-RTWAWAEBSA-N 2 2 419.616 2.764 40 0 HFABLP CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccs2)C[C@]12CC[NH+](Cc1ccccc1)C2 ZINC000306133891 568895923 /nfs/dbraw/zinc/89/59/23/568895923.db2.gz MYPBWZGBZMZKSP-RTWAWAEBSA-N 2 2 419.616 2.764 40 0 HFABLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2cccs2)C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306133891 568895926 /nfs/dbraw/zinc/89/59/26/568895926.db2.gz MYPBWZGBZMZKSP-RTWAWAEBSA-N 2 2 419.616 2.764 40 0 HFABLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2cccs2)C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306133891 568895929 /nfs/dbraw/zinc/89/59/29/568895929.db2.gz MYPBWZGBZMZKSP-RTWAWAEBSA-N 2 2 419.616 2.764 40 0 HFABLP CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000020503538 575370101 /nfs/dbraw/zinc/37/01/01/575370101.db2.gz NWHLZTSKNSOBJW-AZUAARDMSA-N 2 2 420.557 2.987 40 0 biogenic,in-vitro HFABLP CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000020503538 575370106 /nfs/dbraw/zinc/37/01/06/575370106.db2.gz NWHLZTSKNSOBJW-AZUAARDMSA-N 2 2 420.557 2.987 40 0 biogenic,in-vitro HFABLP O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000008636237 291227871 /nfs/dbraw/zinc/22/78/71/291227871.db2.gz IYHOXNCOAQTCLD-SONWIMMPSA-N 2 2 418.585 2.949 40 0 biogenic,in-vitro HFABLP CCc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019523522 558904740 /nfs/dbraw/zinc/90/47/40/558904740.db2.gz PZVIZBLGPVNHHL-UHFFFAOYSA-N 2 2 424.524 2.766 40 0 HFABLP Cc1[nH]c2ccc(NC(=O)C[N@@H+]3C[C@@H](c4ccccc4)[C@]4(C3)CCCC(=O)N4)cc2[nH+]1 ZINC000257227097 568784157 /nfs/dbraw/zinc/78/41/57/568784157.db2.gz FNPYWOGTLVSPRG-YADARESESA-N 2 2 417.513 2.948 40 0 HFABLP Cc1[nH]c2ccc(NC(=O)C[N@H+]3C[C@@H](c4ccccc4)[C@]4(C3)CCCC(=O)N4)cc2[nH+]1 ZINC000257227097 568784160 /nfs/dbraw/zinc/78/41/60/568784160.db2.gz FNPYWOGTLVSPRG-YADARESESA-N 2 2 417.513 2.948 40 0 HFABLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372573 558879915 /nfs/dbraw/zinc/87/99/15/558879915.db2.gz NKUAHDWVRCRPQW-FGZHOGPDSA-N 2 2 420.488 2.770 40 0 HFABLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372573 558879919 /nfs/dbraw/zinc/87/99/19/558879919.db2.gz NKUAHDWVRCRPQW-FGZHOGPDSA-N 2 2 420.488 2.770 40 0 HFABLP CC(=O)NC1(c2ccccc2)CC[NH+](CC(=O)Nc2ccccc2-n2cc[nH+]c2)CC1 ZINC000019658488 558950523 /nfs/dbraw/zinc/95/05/23/558950523.db2.gz FJCUHZOCEUQJHP-UHFFFAOYSA-N 2 2 417.513 2.938 40 0 HFABLP Cc1[nH+]c(-c2cc(C(=O)NCC[NH+](C)C)c3ccccn23)cn1Cc1cccnc1 ZINC000096154953 559099276 /nfs/dbraw/zinc/09/92/76/559099276.db2.gz FIFACROMICMRII-UHFFFAOYSA-N 2 2 402.502 2.846 40 0 HFABLP COc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269641 559115809 /nfs/dbraw/zinc/11/58/09/559115809.db2.gz FOVOWTROKBMMFR-DEOSSOPVSA-N 2 2 414.546 2.525 40 0 HFABLP COc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269641 559115811 /nfs/dbraw/zinc/11/58/11/559115811.db2.gz FOVOWTROKBMMFR-DEOSSOPVSA-N 2 2 414.546 2.525 40 0 HFABLP COc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269641 559115813 /nfs/dbraw/zinc/11/58/13/559115813.db2.gz FOVOWTROKBMMFR-DEOSSOPVSA-N 2 2 414.546 2.525 40 0 HFABLP COc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269641 559115815 /nfs/dbraw/zinc/11/58/15/559115815.db2.gz FOVOWTROKBMMFR-DEOSSOPVSA-N 2 2 414.546 2.525 40 0 HFABLP O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000247292680 568744502 /nfs/dbraw/zinc/74/45/02/568744502.db2.gz BJOQEGDXVHMAMJ-NFBKMPQASA-N 2 2 411.571 2.656 40 0 HFABLP O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000247292680 568744504 /nfs/dbraw/zinc/74/45/04/568744504.db2.gz BJOQEGDXVHMAMJ-NFBKMPQASA-N 2 2 411.571 2.656 40 0 HFABLP C[N@H+](Cc1cc(C(C)(C)C)ccc1OCC(N)=O)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257294137 568802686 /nfs/dbraw/zinc/80/26/86/568802686.db2.gz QSRRHMBCHDRJDP-TXTKFYIRSA-N 2 2 417.594 2.658 40 0 HFABLP C[N@@H+](Cc1cc(C(C)(C)C)ccc1OCC(N)=O)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257294137 568802689 /nfs/dbraw/zinc/80/26/89/568802689.db2.gz QSRRHMBCHDRJDP-TXTKFYIRSA-N 2 2 417.594 2.658 40 0 HFABLP O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257321778 568810835 /nfs/dbraw/zinc/81/08/35/568810835.db2.gz WDFAMRNMZTUOCQ-VXKWHMMOSA-N 2 2 412.534 2.586 40 0 HFABLP Cc1[nH+]ccn1Cc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000038852693 558819033 /nfs/dbraw/zinc/81/90/33/558819033.db2.gz RGKUSRYPGXAIIX-UHFFFAOYSA-N 2 2 418.497 2.927 40 0 HFABLP CCOc1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)ccc1OCC[NH+]1CCOCC1 ZINC000585272062 559117829 /nfs/dbraw/zinc/11/78/29/559117829.db2.gz ITHBNRCPMXSBQL-JOCHJYFZSA-N 2 2 414.546 2.962 40 0 HFABLP CCOc1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2)ccc1OCC[NH+]1CCOCC1 ZINC000585272062 559117831 /nfs/dbraw/zinc/11/78/31/559117831.db2.gz ITHBNRCPMXSBQL-JOCHJYFZSA-N 2 2 414.546 2.962 40 0 HFABLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257291980 559285694 /nfs/dbraw/zinc/28/56/94/559285694.db2.gz QJMGHKCFCPHEQF-QHCPKHFHSA-N 2 2 423.557 2.845 40 0 HFABLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257291980 559285696 /nfs/dbraw/zinc/28/56/96/559285696.db2.gz QJMGHKCFCPHEQF-QHCPKHFHSA-N 2 2 423.557 2.845 40 0 HFABLP CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccs2)C[C@@]12CC[NH+](Cc1ccccc1)C2 ZINC000306133890 568895954 /nfs/dbraw/zinc/89/59/54/568895954.db2.gz MYPBWZGBZMZKSP-NHCUHLMSSA-N 2 2 419.616 2.764 40 0 HFABLP CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccs2)C[C@@]12CC[NH+](Cc1ccccc1)C2 ZINC000306133890 568895956 /nfs/dbraw/zinc/89/59/56/568895956.db2.gz MYPBWZGBZMZKSP-NHCUHLMSSA-N 2 2 419.616 2.764 40 0 HFABLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2cccs2)C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306133890 568895958 /nfs/dbraw/zinc/89/59/58/568895958.db2.gz MYPBWZGBZMZKSP-NHCUHLMSSA-N 2 2 419.616 2.764 40 0 HFABLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2cccs2)C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306133890 568895959 /nfs/dbraw/zinc/89/59/59/568895959.db2.gz MYPBWZGBZMZKSP-NHCUHLMSSA-N 2 2 419.616 2.764 40 0 HFABLP COc1ccc(C[N@@H+]2CC[C@H](c3cc(C(=O)N(C)C)n[nH]3)C2)cc1Cn1cc[nH+]c1C ZINC000019707700 569348013 /nfs/dbraw/zinc/34/80/13/569348013.db2.gz UAJLJMPKTXNQHF-SFHVURJKSA-N 2 2 422.533 2.663 40 0 HFABLP COc1ccc(C[N@H+]2CC[C@H](c3cc(C(=O)N(C)C)n[nH]3)C2)cc1Cn1cc[nH+]c1C ZINC000019707700 569348014 /nfs/dbraw/zinc/34/80/14/569348014.db2.gz UAJLJMPKTXNQHF-SFHVURJKSA-N 2 2 422.533 2.663 40 0 HFABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1)c1ccco1 ZINC000067870846 291227909 /nfs/dbraw/zinc/22/79/09/291227909.db2.gz KPCNUOONBYRQLX-JAXLGGSGSA-N 2 2 408.546 2.542 40 0 biogenic,in-vitro HFABLP Cc1cc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)nc(C(C)C)[nH+]1 ZINC000012330618 132358935 /nfs/dbraw/zinc/35/89/35/132358935.db2.gz VOBFEIVESOZZAK-IBGZPJMESA-N 2 2 412.534 2.925 40 0 HFABLP O=C(NCC(F)(F)F)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101842 559024935 /nfs/dbraw/zinc/02/49/35/559024935.db2.gz GLCLCYWNJOBNPM-GOSISDBHSA-N 2 2 422.451 2.779 40 0 HFABLP O=C(NCC(F)(F)F)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101842 559024936 /nfs/dbraw/zinc/02/49/36/559024936.db2.gz GLCLCYWNJOBNPM-GOSISDBHSA-N 2 2 422.451 2.779 40 0 HFABLP Cc1cc(N2CCC(O)(CN(C)C(=O)c3ccc(C[NH3+])cc3)CC2)c2cnccc2[nH+]1 ZINC000257307465 568806610 /nfs/dbraw/zinc/80/66/10/568806610.db2.gz SYSPBBCNFSZCBC-UHFFFAOYSA-N 2 2 419.529 2.500 40 0 HFABLP O=C(NCC(F)(F)F)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101849 559024923 /nfs/dbraw/zinc/02/49/23/559024923.db2.gz GLCLCYWNJOBNPM-SFHVURJKSA-N 2 2 422.451 2.779 40 0 HFABLP O=C(NCC(F)(F)F)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2 ZINC000585101849 559024924 /nfs/dbraw/zinc/02/49/24/559024924.db2.gz GLCLCYWNJOBNPM-SFHVURJKSA-N 2 2 422.451 2.779 40 0 HFABLP CNc1cc(CN(C)C(=O)C[N@H+](C)Cc2ccc(F)cc2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019709946 568838631 /nfs/dbraw/zinc/83/86/31/568838631.db2.gz QROSIUKPJARJOC-LJQANCHMSA-N 2 2 414.529 2.562 40 0 HFABLP CNc1cc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(F)cc2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019709946 568838632 /nfs/dbraw/zinc/83/86/32/568838632.db2.gz QROSIUKPJARJOC-LJQANCHMSA-N 2 2 414.529 2.562 40 0 HFABLP CCN(C(=O)C[N@@H+]1CCC[C@@H](c2nc(C[NH2+]C)cc(N(C)C)n2)C1)c1cccc(C)c1 ZINC000019709635 569348069 /nfs/dbraw/zinc/34/80/69/569348069.db2.gz CSXUHZXYBOGJAB-LJQANCHMSA-N 2 2 424.593 2.803 40 0 HFABLP CCN(C(=O)C[N@H+]1CCC[C@@H](c2nc(C[NH2+]C)cc(N(C)C)n2)C1)c1cccc(C)c1 ZINC000019709635 569348070 /nfs/dbraw/zinc/34/80/70/569348070.db2.gz CSXUHZXYBOGJAB-LJQANCHMSA-N 2 2 424.593 2.803 40 0 HFABLP CCc1cc(N2CCc3cc(Br)ccc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329051982 571309761 /nfs/dbraw/zinc/30/97/61/571309761.db2.gz VBAYZFXIQCZPRO-UHFFFAOYSA-N 2 2 404.356 3.338 40 0 HFABLP CN(Cc1nc(C2(O)CC[NH+](C3CC[NH+](C)CC3)CC2)cs1)Cc1cccnc1 ZINC000225425710 291220716 /nfs/dbraw/zinc/22/07/16/291220716.db2.gz YUIWGNUMQXYNIE-UHFFFAOYSA-N 2 2 415.607 2.548 40 0 biogenic,in-vitro HFABLP COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000015672661 291225255 /nfs/dbraw/zinc/22/52/55/291225255.db2.gz BFLCAQIGNXZBBA-JENIJYKNSA-N 2 2 404.580 2.576 40 0 biogenic,in-vitro HFABLP COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000015672661 291225259 /nfs/dbraw/zinc/22/52/59/291225259.db2.gz BFLCAQIGNXZBBA-JENIJYKNSA-N 2 2 404.580 2.576 40 0 biogenic,in-vitro HFABLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944357 558746241 /nfs/dbraw/zinc/74/62/41/558746241.db2.gz XTVXOGBIKAPLSI-OAHLLOKOSA-N 2 2 400.350 2.654 40 0 HFABLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944357 558746242 /nfs/dbraw/zinc/74/62/42/558746242.db2.gz XTVXOGBIKAPLSI-OAHLLOKOSA-N 2 2 400.350 2.654 40 0 HFABLP CC(=O)NC1(c2ccccc2)CC[NH+](CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000019657978 558949807 /nfs/dbraw/zinc/94/98/07/558949807.db2.gz NSDXBARWMWAVHZ-UHFFFAOYSA-N 2 2 417.513 2.938 40 0 HFABLP CN(C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257232562 568785516 /nfs/dbraw/zinc/78/55/16/568785516.db2.gz GLJXSWKHGWUXEU-YPAWHYETSA-N 2 2 412.534 2.584 40 0 HFABLP O=C(C[N@@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1)NCCc1nc2ccccc2[nH]1 ZINC000257309714 568807253 /nfs/dbraw/zinc/80/72/53/568807253.db2.gz UCCFHGNNZNPOBI-HXUWFJFHSA-N 2 2 415.501 2.639 40 0 HFABLP O=C(C[N@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1)NCCc1nc2ccccc2[nH]1 ZINC000257309714 568807256 /nfs/dbraw/zinc/80/72/56/568807256.db2.gz UCCFHGNNZNPOBI-HXUWFJFHSA-N 2 2 415.501 2.639 40 0 HFABLP CCN(C(=O)C[N@H+](C)Cc1cc(N(C)C)nc([C@@H]2CCC[NH2+]C2)n1)c1cccc(C)c1 ZINC000019709743 569348121 /nfs/dbraw/zinc/34/81/21/569348121.db2.gz YDMXQJVXSMACOH-LJQANCHMSA-N 2 2 424.593 2.803 40 0 HFABLP CCN(C(=O)C[N@@H+](C)Cc1cc(N(C)C)nc([C@@H]2CCC[NH2+]C2)n1)c1cccc(C)c1 ZINC000019709743 569348122 /nfs/dbraw/zinc/34/81/22/569348122.db2.gz YDMXQJVXSMACOH-LJQANCHMSA-N 2 2 424.593 2.803 40 0 HFABLP