smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@]1(Cc2cc([C@H]3CCC[N@H+](CC)C3)no2)CCC[NH+](C)C1 ZINC000012275050 506843027 /nfs/dbraw/zinc/84/30/27/506843027.db2.gz DTTODXOCUBSWJV-JXFKEZNVSA-N 2 0 363.502 2.692 40 0 FFABRP COc1cc(C)ccc1C[N@@H+]1CC[C@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019133861 507155778 /nfs/dbraw/zinc/15/57/78/507155778.db2.gz UPSBLSSNHXZFIR-KRWDZBQOSA-N 2 0 365.481 2.697 40 0 FFABRP CN(C(=O)C[NH+]1CCCCC1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019586648 507184351 /nfs/dbraw/zinc/18/43/51/507184351.db2.gz FKCRYGSDFISPDZ-UHFFFAOYSA-N 2 0 371.525 2.794 40 0 FFABRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585289892 518557751 /nfs/dbraw/zinc/55/77/51/518557751.db2.gz WMKJUECAJUEZCT-XUVXKRRUSA-N 2 0 350.478 2.760 40 0 FFABRP OCC[NH+](CCCC[N@@H+](CCO)Cc1ccccc1)Cc1ccccc1 ZINC000004744050 204160079 /nfs/dbraw/zinc/16/00/79/204160079.db2.gz QLYBZTBMZZFIBT-UHFFFAOYSA-N 2 0 356.510 2.756 40 0 FFABRP O=c1c2ccccc2ncn1CCC[NH2+]CCC[NH2+]Cc1ccccc1 ZINC000095115821 508174081 /nfs/dbraw/zinc/17/40/81/508174081.db2.gz HBNVURKUABCIFC-UHFFFAOYSA-N 2 0 350.466 2.556 40 0 FFABRP CCn1cc(C[NH+]2CCC3(C[N@H+](Cc4ccco4)C[C@H]3COC)CC2)cn1 ZINC000247917760 509192032 /nfs/dbraw/zinc/19/20/32/509192032.db2.gz ZTPIWSVAQZYOBX-IBGZPJMESA-N 2 0 372.513 2.857 40 0 FFABRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174153133 509973177 /nfs/dbraw/zinc/97/31/77/509973177.db2.gz FCOYEGFJFBBLAC-OAQYLSRUSA-N 2 0 370.541 2.910 40 0 FFABRP CN(C)C(=O)NC[C@@H]1[N@H+](Cc2cccs2)CCCC12CC[NH+](C)CC2 ZINC000306131108 511760456 /nfs/dbraw/zinc/76/04/56/511760456.db2.gz JWVCAPNBPREYRC-KRWDZBQOSA-N 2 0 364.559 2.696 40 0 FFABRP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](CC2CCOCC2)CC1 ZINC000480016153 514810546 /nfs/dbraw/zinc/81/05/46/514810546.db2.gz ICQYEDLAGYEHTP-UHFFFAOYSA-N 2 0 359.445 2.931 40 0 FFABRP COc1ccc(C[NH2+]CCC[NH2+]Cc2ccc(OC)c(OC)c2)cc1OC ZINC000001685522 204017587 /nfs/dbraw/zinc/01/75/87/204017587.db2.gz MGFPHZWVLOVKPE-UHFFFAOYSA-N 2 0 374.481 2.991 40 0 FFABRP Cc1[nH]c2c(cccc2C)c1CC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000012238122 506839112 /nfs/dbraw/zinc/83/91/12/506839112.db2.gz YZOMIQSOPVRODC-UHFFFAOYSA-N 2 0 370.541 2.812 40 0 FFABRP COc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)cc1 ZINC000096051989 508204620 /nfs/dbraw/zinc/20/46/20/508204620.db2.gz MSZQKQYDMIWUSO-FPOVZHCZSA-N 2 0 362.514 2.643 40 0 FFABRP c1csc(C[NH+]2CCC3(C[C@@H](OCC[NH+]4CCCC4)CO3)CC2)c1 ZINC000096106673 508206113 /nfs/dbraw/zinc/20/61/13/508206113.db2.gz QBFWNUYTWCIXHY-QGZVFWFLSA-N 2 0 350.528 2.984 40 0 FFABRP COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000247835839 510871301 /nfs/dbraw/zinc/87/13/01/510871301.db2.gz JGEVEXQGVIANEC-QGZVFWFLSA-N 2 0 368.468 2.772 40 0 FFABRP C[NH+](C)CCCNc1nc(NCc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329058258 511975756 /nfs/dbraw/zinc/97/57/56/511975756.db2.gz WBGQWJLLUITSOL-UHFFFAOYSA-N 2 0 359.905 2.827 40 0 FFABRP COC[C@@H]1C[N@H+](Cc2cccnc2)CC12CC[NH+](Cc1ccccn1)CC2 ZINC000585102985 518538699 /nfs/dbraw/zinc/53/86/99/518538699.db2.gz KHIXAFXAVCAVPC-FQEVSTJZSA-N 2 0 366.509 2.837 40 0 FFABRP Cn1cccc1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccncc3)CO2)CC1 ZINC000096158704 508208828 /nfs/dbraw/zinc/20/88/28/508208828.db2.gz NXLAGWYRYIJQRV-HXUWFJFHSA-N 2 0 354.498 2.676 40 0 FFABRP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)s1 ZINC000107738789 206022851 /nfs/dbraw/zinc/02/28/51/206022851.db2.gz QXXBKTPXGYAFNJ-PKOBYXMFSA-N 2 0 350.528 2.760 40 0 FFABRP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096048063 508204548 /nfs/dbraw/zinc/20/45/48/508204548.db2.gz BYODYFLDWPZLFE-FQEVSTJZSA-N 2 0 352.482 2.732 40 0 FFABRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000257341419 509981726 /nfs/dbraw/zinc/98/17/26/509981726.db2.gz ZKEZWLQQMYZYEA-IRJFHVNHSA-N 2 0 373.541 2.789 40 0 FFABRP COC[C@@H]1C[N@H+](Cc2cccnc2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000585102750 518538168 /nfs/dbraw/zinc/53/81/68/518538168.db2.gz CWHANNZDQROLLR-NRFANRHFSA-N 2 0 366.509 2.837 40 0 FFABRP C[N@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096048086 508204585 /nfs/dbraw/zinc/20/45/85/508204585.db2.gz SYPKGCOXKQTNQB-HXUWFJFHSA-N 2 0 352.482 2.732 40 0 FFABRP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC000096206523 508210330 /nfs/dbraw/zinc/21/03/30/508210330.db2.gz IRCCEKJGHMFOSF-FGZHOGPDSA-N 2 0 357.542 2.756 40 0 FFABRP COc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)cc1 ZINC000248119909 509238095 /nfs/dbraw/zinc/23/80/95/509238095.db2.gz MSZQKQYDMIWUSO-TZIWHRDSSA-N 2 0 362.514 2.643 40 0 FFABRP COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000247837047 510871422 /nfs/dbraw/zinc/87/14/22/510871422.db2.gz JOBSHIMEVPEUOD-SFHVURJKSA-N 2 0 350.478 2.633 40 0 FFABRP C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096047988 508204138 /nfs/dbraw/zinc/20/41/38/508204138.db2.gz YKPBRRJXDUDHSK-HXUWFJFHSA-N 2 0 352.482 2.732 40 0 FFABRP COC[C@H]1C[N@H+](CC2CCOCC2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102991 518539164 /nfs/dbraw/zinc/53/91/64/518539164.db2.gz KKICYZGCWOKKAR-LJQANCHMSA-N 2 0 362.514 2.867 40 0 FFABRP COC[C@@H]1C[N@H+](CC2CCOCC2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102989 518539255 /nfs/dbraw/zinc/53/92/55/518539255.db2.gz KKICYZGCWOKKAR-IBGZPJMESA-N 2 0 362.514 2.867 40 0 FFABRP C[NH+](C)CCCNc1nc(NCc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329053885 511974218 /nfs/dbraw/zinc/97/42/18/511974218.db2.gz VHCPHQMPHVJCTH-UHFFFAOYSA-N 2 0 359.905 2.827 40 0 FFABRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cnn(C)c4)CC3)C2)cc1 ZINC000096158884 209127463 /nfs/dbraw/zinc/12/74/63/209127463.db2.gz CDTBPGQJPUHHOQ-UHFFFAOYSA-N 2 0 354.498 2.596 40 0 FFABRP C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096047989 209100681 /nfs/dbraw/zinc/10/06/81/209100681.db2.gz YKPBRRJXDUDHSK-FQEVSTJZSA-N 2 0 352.482 2.732 40 0 FFABRP CNc1nc([C@H]2CCCC[N@@H+]2CCc2ccccc2)nc2c1CC[NH2+]C2 ZINC000072376543 507781329 /nfs/dbraw/zinc/78/13/29/507781329.db2.gz MEBIHISVWFRKIO-LJQANCHMSA-N 2 0 351.498 2.934 40 0 FFABRP CCn1cc(C[NH+]2CCC(Cc3cnc(C[NH+](C)C)cn3)CC2)c(C)n1 ZINC000257338772 210003170 /nfs/dbraw/zinc/00/31/70/210003170.db2.gz YYXQRURNAXUXOG-UHFFFAOYSA-N 2 0 356.518 2.518 40 0 FFABRP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@]12CCN(CC[NH+]1CCCC1)C2=O ZINC000096201712 209133039 /nfs/dbraw/zinc/13/30/39/209133039.db2.gz VTCJVAJCLQXQLQ-UTKZUKDTSA-N 2 0 359.489 2.592 40 0 FFABRP Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)s1 ZINC000096057928 209104540 /nfs/dbraw/zinc/10/45/40/209104540.db2.gz DPPUKXSGFADUNM-IPMKNSEASA-N 2 0 350.528 2.901 40 0 FFABRP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC000096055181 209104052 /nfs/dbraw/zinc/10/40/52/209104052.db2.gz UYTJCLGXIJFNNK-IFMALSPDSA-N 2 0 367.493 2.813 40 0 FFABRP C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096047995 209100145 /nfs/dbraw/zinc/10/01/45/209100145.db2.gz HUTLKTWWPXCJDE-FQEVSTJZSA-N 2 0 359.514 2.564 40 0 FFABRP C[C@H](O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000095951407 209089788 /nfs/dbraw/zinc/08/97/88/209089788.db2.gz OIFRWFAWRGLAIA-ZHNGQKSSSA-N 2 0 351.494 2.520 40 0 biogenic FFABRP Cc1nc(NCC[NH+](C)C)cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]1 ZINC000328976261 132372042 /nfs/dbraw/zinc/37/20/42/132372042.db2.gz FNQGGRRBDLYABB-UHFFFAOYSA-N 2 0 369.513 2.549 40 0 FFABRP Fc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC000096249709 209144152 /nfs/dbraw/zinc/14/41/52/209144152.db2.gz XGVWRPFAOFTXDK-TZIWHRDSSA-N 2 0 355.457 2.944 40 0 FFABRP C[C@]1(O)C[N@H+](Cc2ccc(OCC[NH3+])cc2)CC[C@@H]1Oc1cccc(F)c1 ZINC000585274322 518550823 /nfs/dbraw/zinc/55/08/23/518550823.db2.gz VSOARAMTUDRMJD-SFTDATJTSA-N 2 0 374.456 2.568 40 0 FFABRP Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCC[NH+]4CCCC4)CO3)C2)s1 ZINC000096206945 209135142 /nfs/dbraw/zinc/13/51/42/209135142.db2.gz LHNJBJNRZLXGDX-MJGOQNOKSA-N 2 0 350.528 2.902 40 0 FFABRP CN(C)C(=O)C[NH+]1CCC2(CC1)C[N@H+](CC1CCC1)Cc1ccccc12 ZINC000096242441 209143432 /nfs/dbraw/zinc/14/34/32/209143432.db2.gz XKARMYGRZRNHFN-UHFFFAOYSA-N 2 0 355.526 2.724 40 0 FFABRP C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096047994 209099638 /nfs/dbraw/zinc/09/96/38/209099638.db2.gz HUTLKTWWPXCJDE-HXUWFJFHSA-N 2 0 359.514 2.564 40 0 FFABRP CN(C)C(=O)[C@@]12CCC3(CC[NH+](Cc4ccsc4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096036283 209096281 /nfs/dbraw/zinc/09/62/81/209096281.db2.gz MMFXGQOVXZWHPD-FXAWDEMLSA-N 2 0 361.555 2.760 40 0 FFABRP CC1(C)CC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC(C)(C)[NH2+]1 ZINC000154992331 508898939 /nfs/dbraw/zinc/89/89/39/508898939.db2.gz DVVLZLNKOCZBLH-KRWDZBQOSA-N 2 0 350.551 2.956 40 0 FFABRP CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[NH2+]C1)Cc1cc(C)ccc1O2 ZINC000072394522 507782558 /nfs/dbraw/zinc/78/25/58/507782558.db2.gz NWEPCLYNEBLNFD-SFHVURJKSA-N 2 0 371.525 2.570 40 0 FFABRP COc1ccc2c(c1)C[NH+](C[C@H]1CCOC1)C[C@@]1(CCC[N@H+](C)CC1)O2 ZINC000253612974 509903888 /nfs/dbraw/zinc/90/38/88/509903888.db2.gz CTVDQEGCFUMIMQ-UTKZUKDTSA-N 2 0 360.498 2.781 40 0 FFABRP COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1cccc3[nH]ccc31)CC2 ZINC000247884042 209918434 /nfs/dbraw/zinc/91/84/34/209918434.db2.gz RAATVAUREFTJHD-LJQANCHMSA-N 2 0 371.525 2.975 40 0 FFABRP COc1ncccc1C[NH+]1CCC2(C[C@@H](COCC3CC3)[N@H+](C)C2)CC1 ZINC000096218636 209137677 /nfs/dbraw/zinc/13/76/77/209137677.db2.gz RQNDKYCIEPCMKK-IBGZPJMESA-N 2 0 359.514 2.803 40 0 FFABRP c1cc(C[NH+]2CCC3(C[C@@H](OCC[NH+]4CCCC4)CO3)CC2)cs1 ZINC000096106675 222025622 /nfs/dbraw/zinc/02/56/22/222025622.db2.gz QIMQGUNOHMNFRL-GOSISDBHSA-N 2 0 350.528 2.984 40 0 FFABRP C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096047990 222000117 /nfs/dbraw/zinc/00/01/17/222000117.db2.gz NGGPZMYHPLFFQK-HXUWFJFHSA-N 2 0 352.482 2.732 40 0 FFABRP CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1ccc(F)cc1)C2 ZINC000096051987 222003839 /nfs/dbraw/zinc/00/38/39/222003839.db2.gz FMXYNVBWOCISBY-ICSRJNTNSA-N 2 0 350.478 2.773 40 0 FFABRP Cn1cncc1C[NH+]1CCC2(C[C@@H]([NH+]3CCOCC3)c3ccccc32)CC1 ZINC000096079226 222015225 /nfs/dbraw/zinc/01/52/25/222015225.db2.gz XUPORQDHDMQHSM-OAQYLSRUSA-N 2 0 366.509 2.731 40 0 FFABRP CC[NH+](CC)CCCNc1nc(Cl)nc(NCCC[NH+](CC)CC)n1 ZINC000004691966 506387529 /nfs/dbraw/zinc/38/75/29/506387529.db2.gz UTAUSUCGZYPCFU-UHFFFAOYSA-N 2 0 371.961 2.813 40 0 FFABRP COC[C@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1cc(C)on1)CC2 ZINC000247887696 509187938 /nfs/dbraw/zinc/18/79/38/509187938.db2.gz DYEYBUIZSKJSKZ-QGZVFWFLSA-N 2 0 359.470 2.937 40 0 FFABRP COC[C@@H]1C[N@H+](CC2CCOCC2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000585103522 518538290 /nfs/dbraw/zinc/53/82/90/518538290.db2.gz PLIQISJXADNKOA-NRFANRHFSA-N 2 0 373.541 2.669 40 0 FFABRP O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCCC[NH+]1CCCC1 ZINC000585289739 518556616 /nfs/dbraw/zinc/55/66/16/518556616.db2.gz MSZBIHKSKNAUNU-XUVXKRRUSA-N 2 0 350.478 2.952 40 0 FFABRP C#[N+]c1cnc(Nc2cc(-c3c(OC)cccc3OCCC[NH3+])[nH]n2)cn1 ZINC000299754558 210006586 /nfs/dbraw/zinc/00/65/86/210006586.db2.gz PPEUKQAQSHKUSG-UHFFFAOYSA-N 2 0 365.397 2.897 40 0 FFABRP C[N@@H+]1CCc2c(=O)[nH]c(C3CC[NH+](Cc4ccccc4F)CC3)nc2C1 ZINC000019590754 211240120 /nfs/dbraw/zinc/24/01/20/211240120.db2.gz DYHWFFJDLXTSMP-UHFFFAOYSA-N 2 0 356.445 2.689 40 0 FFABRP Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H](OCC[NH+]4CCCC4)CO3)C2)s1 ZINC000096107591 222026906 /nfs/dbraw/zinc/02/69/06/222026906.db2.gz LHNJBJNRZLXGDX-HKUYNNGSSA-N 2 0 350.528 2.902 40 0 FFABRP C[NH+]1CCC(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)CC1 ZINC000225589497 509378304 /nfs/dbraw/zinc/37/83/04/509378304.db2.gz NEHDCNUXFOXAHB-UHFFFAOYSA-N 2 0 367.896 2.902 40 0 FFABRP C[NH+](C)CCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000013669026 211047354 /nfs/dbraw/zinc/04/73/54/211047354.db2.gz NLCANCXGLYTCPX-UHFFFAOYSA-N 2 0 351.494 2.926 40 0 FFABRP COCC[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1O2 ZINC000096242751 222096784 /nfs/dbraw/zinc/09/67/84/222096784.db2.gz HOCPXDOUQVUBHT-HKUYNNGSSA-N 2 0 360.498 2.617 40 0 FFABRP CCn1cc(C[NH+]2CCC3(C[N@H+](Cc4ccco4)C[C@@H]3COC)CC2)cn1 ZINC000247917763 509192130 /nfs/dbraw/zinc/19/21/30/509192130.db2.gz ZTPIWSVAQZYOBX-LJQANCHMSA-N 2 0 372.513 2.857 40 0 FFABRP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)s1 ZINC000248070546 509230035 /nfs/dbraw/zinc/23/00/35/509230035.db2.gz GCQLMDDJRZMFHJ-PKOBYXMFSA-N 2 0 350.528 2.902 40 0 FFABRP CCc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC000096249708 222100583 /nfs/dbraw/zinc/10/05/83/222100583.db2.gz QCFRJKSGPURUDJ-WIYYLYMNSA-N 2 0 355.482 2.960 40 0 FFABRP COc1ncccc1C[NH+]1CCC2(C[C@H](COCC3CC3)[N@H+](C)C2)CC1 ZINC000096218634 222084536 /nfs/dbraw/zinc/08/45/36/222084536.db2.gz RQNDKYCIEPCMKK-LJQANCHMSA-N 2 0 359.514 2.803 40 0 FFABRP C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096220855 222085336 /nfs/dbraw/zinc/08/53/36/222085336.db2.gz TXEOKDZTDPFWTN-HXUWFJFHSA-N 2 0 352.482 2.732 40 0 FFABRP CC1(C)CC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC(C)(C)[NH2+]1 ZINC000154992444 508899002 /nfs/dbraw/zinc/89/90/02/508899002.db2.gz DVVLZLNKOCZBLH-QGZVFWFLSA-N 2 0 350.551 2.956 40 0 FFABRP c1ccc(CC[NH+]2CCC3(C[C@H](OCC[NH+]4CCCC4)CO3)CC2)cc1 ZINC000096207599 222077029 /nfs/dbraw/zinc/07/70/29/222077029.db2.gz WXKGCKQGIKVMBN-NRFANRHFSA-N 2 0 358.526 2.965 40 0 FFABRP COC[C@H]1C[N@H+](CC2CCOCC2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000585103651 518539496 /nfs/dbraw/zinc/53/94/96/518539496.db2.gz QNBLTZZIQJAUDW-HXUWFJFHSA-N 2 0 362.514 2.867 40 0 FFABRP CC(C)c1ccc(C[N@@H+]2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019453174 211224496 /nfs/dbraw/zinc/22/44/96/211224496.db2.gz NSMWMVKOKLMMLZ-GOSISDBHSA-N 2 0 364.497 2.898 40 0 FFABRP COCC[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1O2 ZINC000096242753 222097661 /nfs/dbraw/zinc/09/76/61/222097661.db2.gz HOCPXDOUQVUBHT-MJGOQNOKSA-N 2 0 360.498 2.617 40 0 FFABRP Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCCN2C(=O)c2ccccn2)[nH+]1 ZINC000019698153 507192234 /nfs/dbraw/zinc/19/22/34/507192234.db2.gz RDOWTECRANBMHA-FQEVSTJZSA-N 2 0 365.481 2.514 40 0 FFABRP CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccc(F)cc1)C2 ZINC000107738669 507865349 /nfs/dbraw/zinc/86/53/49/507865349.db2.gz FMXYNVBWOCISBY-UYAOXDASSA-N 2 0 350.478 2.773 40 0 FFABRP CN(C)C(=O)[C@@]12CCC3(CC[NH+](Cc4ccc(F)cc4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096036286 508202922 /nfs/dbraw/zinc/20/29/22/508202922.db2.gz POBWXBOWBJAPDJ-SIKLNZKXSA-N 2 0 373.516 2.838 40 0 FFABRP COc1ccc2c(c1)C[NH+](C[C@H]1CCOC1)C[C@]1(CCC[N@H+](C)CC1)O2 ZINC000253612973 509904424 /nfs/dbraw/zinc/90/44/24/509904424.db2.gz CTVDQEGCFUMIMQ-DYESRHJHSA-N 2 0 360.498 2.781 40 0 FFABRP CCOC(=O)[C@]1(Cc2cc([C@@H]3CCC[N@H+](CC)C3)no2)CCC[NH+](C)C1 ZINC000012275043 506842468 /nfs/dbraw/zinc/84/24/68/506842468.db2.gz DTTODXOCUBSWJV-UZLBHIALSA-N 2 0 363.502 2.692 40 0 FFABRP C[NH+]1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)cc2)CC1 ZINC000219668641 509290401 /nfs/dbraw/zinc/29/04/01/509290401.db2.gz SSWIQIUOBLUKHT-VQTJNVASSA-N 2 0 350.466 2.505 40 0 FFABRP C[C@H]1CCCC[NH+]1CCCc1nnc(CCC[N@H+]2CCCC[C@@H]2C)n1N ZINC000260574155 509983573 /nfs/dbraw/zinc/98/35/73/509983573.db2.gz OPKMGPUKMAEHOG-ROUUACIJSA-N 2 0 362.566 2.606 40 0 FFABRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585289963 518556786 /nfs/dbraw/zinc/55/67/86/518556786.db2.gz YGKSXQYRZQAJPK-XUVXKRRUSA-N 2 0 350.478 2.949 40 0 FFABRP C[C@@H](O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000095951408 508199210 /nfs/dbraw/zinc/19/92/10/508199210.db2.gz OIFRWFAWRGLAIA-BRKWEVRTSA-N 2 0 351.494 2.520 40 0 biogenic FFABRP COc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+](C)C(C)C)O3)C2)cc1 ZINC000248019723 509217142 /nfs/dbraw/zinc/21/71/42/509217142.db2.gz DUJTZMNVRFNPQX-SFTDATJTSA-N 2 0 362.514 2.785 40 0 FFABRP COc1cc(C[N@H+](C)C[C@H](O)c2ccccc2)ccc1OCC[NH+](C)C ZINC000585273617 518550489 /nfs/dbraw/zinc/55/04/89/518550489.db2.gz QYWUFFDEHICORS-IBGZPJMESA-N 2 0 358.482 2.801 40 0 FFABRP Cc1ccc([C@@H](C)CC[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C)O3)C2)o1 ZINC000306128299 223108100 /nfs/dbraw/zinc/10/81/00/223108100.db2.gz GWMCOSRRDWYXAL-HQRMLTQVSA-N 2 0 350.503 2.893 40 0 FFABRP COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000248069041 509228733 /nfs/dbraw/zinc/22/87/33/509228733.db2.gz FRWIAMPKMINKSU-QGZVFWFLSA-N 2 0 352.544 2.863 40 0 FFABRP C[NH+]1CCC2(CC1)Oc1ccccc1-c1c2cnn1CC[NH+]1CCCC1 ZINC000306127027 530051064 /nfs/dbraw/zinc/05/10/64/530051064.db2.gz FLWZFABNINVSFR-UHFFFAOYSA-N 2 0 352.482 2.959 40 0 FFABRP C[NH+](C)Cc1cnc(CC2CC[NH+](CCOc3ccccc3)CC2)cn1 ZINC000257265964 223042866 /nfs/dbraw/zinc/04/28/66/223042866.db2.gz MBAZCTQRXOACGU-UHFFFAOYSA-N 2 0 354.498 2.872 40 0 FFABRP CCOc1ccc(CN2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019533374 220268743 /nfs/dbraw/zinc/26/87/43/220268743.db2.gz YYIJLHDCRVHEKV-KRWDZBQOSA-N 2 0 352.482 2.901 40 0 FFABRP O=C1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)N1CC[NH+]1CCCC1 ZINC000096228146 222089478 /nfs/dbraw/zinc/08/94/78/222089478.db2.gz UNYAGEUMXFHEDK-UHFFFAOYSA-N 2 0 359.489 2.879 40 0 FFABRP COc1ccc2c(c1)C[NH+](C[C@@H]1CCOC1)C[C@@]1(CCC[N@H+](C)CC1)O2 ZINC000012365608 506855549 /nfs/dbraw/zinc/85/55/49/506855549.db2.gz CTVDQEGCFUMIMQ-UWJYYQICSA-N 2 0 360.498 2.781 40 0 FFABRP COc1ccccc1C[NH+]1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019590721 220277906 /nfs/dbraw/zinc/27/79/06/220277906.db2.gz TVAJPIVCNZTYKT-UHFFFAOYSA-N 2 0 352.482 2.853 40 0 FFABRP COc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000096052339 222003187 /nfs/dbraw/zinc/00/31/87/222003187.db2.gz SEXSLTKISRBXOF-RTWAWAEBSA-N 2 0 360.498 2.541 40 0 FFABRP C[NH+](C)CCN(C(=O)Cc1ccc2c(c1)CCCC2)C1CC[NH+](C)CC1 ZINC000012238238 506839895 /nfs/dbraw/zinc/83/98/95/506839895.db2.gz MLIYJPJWNSHGQJ-UHFFFAOYSA-N 2 0 357.542 2.592 40 0 FFABRP COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1cccc3[nH]ccc31)CC2 ZINC000247884039 509186190 /nfs/dbraw/zinc/18/61/90/509186190.db2.gz RAATVAUREFTJHD-IBGZPJMESA-N 2 0 371.525 2.975 40 0 FFABRP COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000248069032 509229066 /nfs/dbraw/zinc/22/90/66/509229066.db2.gz FRWIAMPKMINKSU-KRWDZBQOSA-N 2 0 352.544 2.863 40 0 FFABRP Cc1[nH]c2ccc(F)cc2c1CC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000012238183 219972542 /nfs/dbraw/zinc/97/25/42/219972542.db2.gz GETDHBOVHWOWSJ-UHFFFAOYSA-N 2 0 374.504 2.642 40 0 FFABRP CN(C)C(=O)[C@@]12CCC3(CC[NH+](Cc4cccs4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096036281 508202823 /nfs/dbraw/zinc/20/28/23/508202823.db2.gz QAHFXGIGTIIYLX-FXAWDEMLSA-N 2 0 361.555 2.760 40 0 FFABRP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096048058 508204613 /nfs/dbraw/zinc/20/46/13/508204613.db2.gz YQFYDTSBOZCKLF-HXUWFJFHSA-N 2 0 352.482 2.732 40 0 FFABRP COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1sccc1C)CC2 ZINC000253598575 509900772 /nfs/dbraw/zinc/90/07/72/509900772.db2.gz DNDHYZFETXLIRM-QGZVFWFLSA-N 2 0 352.544 2.863 40 0 FFABRP CC(C)C[N@@H+]1CC[C@@]2(c3ccccc3)CCC(=O)N(CC[NH+](C)C)C[C@@H]12 ZINC000306137237 528022008 /nfs/dbraw/zinc/02/20/08/528022008.db2.gz QQGDDJKWMDRCED-IFMALSPDSA-N 2 0 357.542 2.839 40 0 FFABRP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000257312055 223062206 /nfs/dbraw/zinc/06/22/06/223062206.db2.gz UMGRAGVKKPKLOA-SFHVURJKSA-N 2 0 366.509 2.882 40 0 FFABRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccccn1)CC(C)(C)CN1CCOCC1 ZINC000019527144 220269175 /nfs/dbraw/zinc/26/91/75/220269175.db2.gz JPYNNLOZLJZHKQ-NRFANRHFSA-N 2 0 374.573 2.726 40 0 FFABRP Fc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC000096249681 222100504 /nfs/dbraw/zinc/10/05/04/222100504.db2.gz ZCJAPELMIPEDSB-TZIWHRDSSA-N 2 0 355.457 2.944 40 0 FFABRP Cc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC000096218957 222083282 /nfs/dbraw/zinc/08/32/82/222083282.db2.gz VVQMTQZBEIOGFP-FCHUYYIVSA-N 2 0 357.542 2.756 40 0 FFABRP C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096220857 222085957 /nfs/dbraw/zinc/08/59/57/222085957.db2.gz TXEOKDZTDPFWTN-FQEVSTJZSA-N 2 0 352.482 2.732 40 0 FFABRP Brc1cccc[n+]1CCC[n+]1ccccc1Br ZINC000001677061 506266896 /nfs/dbraw/zinc/26/68/96/506266896.db2.gz IPHDCMKPSPJJBO-UHFFFAOYSA-N 2 0 358.077 2.877 40 0 FFABRP COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1sccc1C)CC2 ZINC000253598571 509900679 /nfs/dbraw/zinc/90/06/79/509900679.db2.gz DNDHYZFETXLIRM-KRWDZBQOSA-N 2 0 352.544 2.863 40 0 FFABRP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NC2CC[NH+](C)CC2)c1 ZINC000257229149 223029491 /nfs/dbraw/zinc/02/94/91/223029491.db2.gz FWVRJSFNOBJMEE-UHFFFAOYSA-N 2 0 352.482 2.634 40 0 FFABRP Cc1ccc(C[NH+]2CCC3(CC[C@@]4(C(=O)N(C)C)C[N@@H+](C)C[C@@H]34)CC2)o1 ZINC000096036284 508203216 /nfs/dbraw/zinc/20/32/16/508203216.db2.gz KRNHXDKLVXDVPE-GHTZIAJQSA-N 2 0 359.514 2.600 40 0 FFABRP CN(C)C(=O)NC[C@H]1[N@H+](Cc2cccs2)CCCC12CC[NH+](C)CC2 ZINC000306131109 223108954 /nfs/dbraw/zinc/10/89/54/223108954.db2.gz JWVCAPNBPREYRC-QGZVFWFLSA-N 2 0 364.559 2.696 40 0 FFABRP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096048061 222000149 /nfs/dbraw/zinc/00/01/49/222000149.db2.gz WLWGRUJLCQGPOD-FQEVSTJZSA-N 2 0 352.482 2.732 40 0 FFABRP c1ccc(C[NH2+]CCOCCOCCOCC[NH2+]Cc2ccccc2)cc1 ZINC000034338295 506367482 /nfs/dbraw/zinc/36/74/82/506367482.db2.gz AMAKQWSBAYMYRA-UHFFFAOYSA-N 2 0 372.509 2.616 40 0 FFABRP Cc1[nH]c2ccc(C)cc2c1CC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000012238188 506839543 /nfs/dbraw/zinc/83/95/43/506839543.db2.gz DVFLDDAZTQJDER-UHFFFAOYSA-N 2 0 370.541 2.812 40 0 FFABRP Cc1cccc(O[C@H]2CC[N@H+](Cc3ccc(OCC[NH3+])cc3)C[C@]2(C)O)c1 ZINC000585273761 518550941 /nfs/dbraw/zinc/55/09/41/518550941.db2.gz QSGIGCJMAKKPLQ-VXKWHMMOSA-N 2 0 370.493 2.737 40 0 FFABRP COc1cccc(C[NH+]2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c1 ZINC000019590717 220278249 /nfs/dbraw/zinc/27/82/49/220278249.db2.gz BXFQDQDQCCANFK-UHFFFAOYSA-N 2 0 352.482 2.853 40 0 FFABRP c1csc(C[NH+]2CCC3(C[C@H](OCC[NH+]4CCCC4)CO3)CC2)c1 ZINC000096106672 222025573 /nfs/dbraw/zinc/02/55/73/222025573.db2.gz QBFWNUYTWCIXHY-KRWDZBQOSA-N 2 0 350.528 2.984 40 0 FFABRP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096048060 508204070 /nfs/dbraw/zinc/20/40/70/508204070.db2.gz WLWGRUJLCQGPOD-HXUWFJFHSA-N 2 0 352.482 2.732 40 0 FFABRP C[N@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096048087 508204700 /nfs/dbraw/zinc/20/47/00/508204700.db2.gz SYPKGCOXKQTNQB-FQEVSTJZSA-N 2 0 352.482 2.732 40 0 FFABRP COC[C@H]1C[N@H+](CC2CCOCC2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000585103534 518538448 /nfs/dbraw/zinc/53/84/48/518538448.db2.gz PLIQISJXADNKOA-OAQYLSRUSA-N 2 0 373.541 2.669 40 0 FFABRP COc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000033664293 506361496 /nfs/dbraw/zinc/36/14/96/506361496.db2.gz XHRYZVXKLCDLPJ-UHFFFAOYSA-N 2 0 361.530 2.611 40 0 FFABRP COc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+](C)C(C)C)O3)C2)cc1 ZINC000096052315 508204386 /nfs/dbraw/zinc/20/43/86/508204386.db2.gz DUJTZMNVRFNPQX-LEWJYISDSA-N 2 0 362.514 2.785 40 0 FFABRP COCC[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccccc1O2 ZINC000096242754 508212325 /nfs/dbraw/zinc/21/23/25/508212325.db2.gz HOCPXDOUQVUBHT-IEBWSBKVSA-N 2 0 360.498 2.617 40 0 FFABRP COc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000247905833 509189938 /nfs/dbraw/zinc/18/99/38/509189938.db2.gz SEXSLTKISRBXOF-SFTDATJTSA-N 2 0 360.498 2.541 40 0 FFABRP C[C@@H]1CCCC[NH+]1CCCc1nnc(CCC[N@H+]2CCCC[C@H]2C)n1N ZINC000260574147 509983690 /nfs/dbraw/zinc/98/36/90/509983690.db2.gz OPKMGPUKMAEHOG-QZTJIDSGSA-N 2 0 362.566 2.606 40 0 FFABRP c1ccc(CC[NH+]2CCC3(C[C@@H](OCC[NH+]4CCCC4)CO3)CC2)cc1 ZINC000096207600 205850540 /nfs/dbraw/zinc/85/05/40/205850540.db2.gz WXKGCKQGIKVMBN-OAQYLSRUSA-N 2 0 358.526 2.965 40 0 FFABRP COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000247837045 510871429 /nfs/dbraw/zinc/87/14/29/510871429.db2.gz JOBSHIMEVPEUOD-GOSISDBHSA-N 2 0 350.478 2.633 40 0 FFABRP C[NH+](C)CCOc1ccc2c(c1)C(=O)c1cc(OCC[NH+](C)C)ccc1-2 ZINC000001488393 204009563 /nfs/dbraw/zinc/00/95/63/204009563.db2.gz WVGDOXLWDJMWGP-UHFFFAOYSA-N 2 0 354.450 2.779 40 0 FFABRP C[NH+]1CCN(CC[NH2+][C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC000116433989 206316105 /nfs/dbraw/zinc/31/61/05/206316105.db2.gz CDAXGWVFDQIAMH-XZOQPEGZSA-N 2 0 365.521 2.959 40 0 FFABRP COC[C@@H]1C[N@H+](Cc2cccnc2)CC12CC[NH+](CC1CCOCC1)CC2 ZINC000585103548 518538621 /nfs/dbraw/zinc/53/86/21/518538621.db2.gz POFNLAWCSQZRLB-NRFANRHFSA-N 2 0 373.541 2.669 40 0 FFABRP CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](CC1CC1)CC3 ZINC000096036330 508203167 /nfs/dbraw/zinc/20/31/67/508203167.db2.gz OZTMIYVGQMVXBA-SIKLNZKXSA-N 2 0 359.558 2.833 40 0 FFABRP C[N@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096048092 508204582 /nfs/dbraw/zinc/20/45/82/508204582.db2.gz ALKOAPPDTYQCLO-HXUWFJFHSA-N 2 0 359.514 2.564 40 0 FFABRP COCC[NH+]1CCC2(C[C@@H]([NH2+]Cc3cncn3C)c3ccccc32)CC1 ZINC000096079001 508205200 /nfs/dbraw/zinc/20/52/00/508205200.db2.gz PXAQSRBQPSOLRH-HXUWFJFHSA-N 2 0 354.498 2.635 40 0 FFABRP c1cc(C[NH+]2CCC3(C[C@H](OCC[NH+]4CCCC4)CO3)CC2)cs1 ZINC000096106674 508206272 /nfs/dbraw/zinc/20/62/72/508206272.db2.gz QIMQGUNOHMNFRL-SFHVURJKSA-N 2 0 350.528 2.984 40 0 FFABRP C[NH+](C)CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257341580 509981921 /nfs/dbraw/zinc/98/19/21/509981921.db2.gz ZKYGKMFWFAMULN-SXFAUFNYSA-N 2 0 355.526 2.681 40 0 FFABRP [NH3+]CCCc1nc2cc(Cc3ccc4[nH]c(CCC[NH3+])nc4c3)ccc2[nH]1 ZINC000003207486 204082513 /nfs/dbraw/zinc/08/25/13/204082513.db2.gz KYCWIWZWLRDKQR-UHFFFAOYSA-N 2 0 362.481 2.813 40 0 FFABRP COc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)cc1 ZINC000107738678 206023976 /nfs/dbraw/zinc/02/39/76/206023976.db2.gz MSZQKQYDMIWUSO-PZJWPPBQSA-N 2 0 362.514 2.643 40 0 FFABRP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)s1 ZINC000096052335 508204599 /nfs/dbraw/zinc/20/45/99/508204599.db2.gz GCQLMDDJRZMFHJ-MJGOQNOKSA-N 2 0 350.528 2.902 40 0 FFABRP Cn1cncc1C[NH+]1CCC2(C[C@H]([NH+]3CCOCC3)c3ccccc32)CC1 ZINC000096079225 508205599 /nfs/dbraw/zinc/20/55/99/508205599.db2.gz XUPORQDHDMQHSM-NRFANRHFSA-N 2 0 366.509 2.731 40 0 FFABRP C[C@@H]1CCCC[NH+]1CCCc1nnc(CCC[N@H+]2CCCC[C@@H]2C)n1N ZINC000225149559 509366125 /nfs/dbraw/zinc/36/61/25/509366125.db2.gz OPKMGPUKMAEHOG-HDICACEKSA-N 2 0 362.566 2.606 40 0 FFABRP COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000247849047 510871497 /nfs/dbraw/zinc/87/14/97/510871497.db2.gz OARJPLMVPGFBMC-IBGZPJMESA-N 2 0 362.514 2.502 40 0 FFABRP COc1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)ccc1OCC[NH+](C)C ZINC000585273639 518550594 /nfs/dbraw/zinc/55/05/94/518550594.db2.gz QYWUFFDEHICORS-LJQANCHMSA-N 2 0 358.482 2.801 40 0 FFABRP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)s1 ZINC000248070542 509230865 /nfs/dbraw/zinc/23/08/65/509230865.db2.gz GCQLMDDJRZMFHJ-HKUYNNGSSA-N 2 0 350.528 2.902 40 0 FFABRP CN(C)CC(=O)N1[C@@H]2CCC[C@@H]3[N@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257244701 509964029 /nfs/dbraw/zinc/96/40/29/509964029.db2.gz IMKQGSJNQAMYIU-UERWRGBPSA-N 2 0 355.526 2.633 40 0 FFABRP C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000257312254 509977487 /nfs/dbraw/zinc/97/74/87/509977487.db2.gz UNAWNMJBTUYLAA-UHFFFAOYSA-N 2 0 369.513 2.538 40 0 FFABRP CCc1ccc(C[NH+]2CCC3(C[C@@H]([NH+]4CCN(C)CC4)CO3)CC2)cc1 ZINC000096220849 209137457 /nfs/dbraw/zinc/13/74/57/209137457.db2.gz FZDIZFYEKKUINB-OAQYLSRUSA-N 2 0 357.542 2.620 40 0 FFABRP COC[C@@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1cc(C)on1)CC2 ZINC000247887692 509187182 /nfs/dbraw/zinc/18/71/82/509187182.db2.gz DYEYBUIZSKJSKZ-KRWDZBQOSA-N 2 0 359.470 2.937 40 0 FFABRP O[C@H]1CN(Cc2ccccn2)CC[C@@]12CCC[N@@H+]2CCc1ccccc1 ZINC000257244958 509963262 /nfs/dbraw/zinc/96/32/62/509963262.db2.gz INMATCNSDORCFS-VXKWHMMOSA-N 2 0 351.494 2.726 40 0 FFABRP CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+]C2)Cc1ccc(F)cc1 ZINC000257292113 509972358 /nfs/dbraw/zinc/97/23/58/509972358.db2.gz QKBWIAYVYOFAGI-YOUFYPILSA-N 2 0 359.489 2.779 40 0 FFABRP COC[C@H]1C[N@H+](Cc2cccnc2)CC12CC[NH+](Cc1ccccn1)CC2 ZINC000585102986 518538338 /nfs/dbraw/zinc/53/83/38/518538338.db2.gz KHIXAFXAVCAVPC-HXUWFJFHSA-N 2 0 366.509 2.837 40 0 FFABRP Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCCN2C(=O)c2ccccn2)[nH+]1 ZINC000019698154 507192653 /nfs/dbraw/zinc/19/26/53/507192653.db2.gz RDOWTECRANBMHA-HXUWFJFHSA-N 2 0 365.481 2.514 40 0 FFABRP COc1c(C)cccc1C[N@@H+]1CC[C@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019235902 507160871 /nfs/dbraw/zinc/16/08/71/507160871.db2.gz IMFLOVSBJUANCL-INIZCTEOSA-N 2 0 365.481 2.697 40 0 FFABRP CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[NH2+]C1)Cc1cc(C)ccc1O2 ZINC000072394521 507782392 /nfs/dbraw/zinc/78/23/92/507782392.db2.gz NWEPCLYNEBLNFD-GOSISDBHSA-N 2 0 371.525 2.570 40 0 FFABRP CC(C)C[N@@H+]1CC[C@]2(c3ccccc3)CCC(=O)N(CC[NH+](C)C)C[C@@H]12 ZINC000306137238 511762763 /nfs/dbraw/zinc/76/27/63/511762763.db2.gz QQGDDJKWMDRCED-IRLDBZIGSA-N 2 0 357.542 2.839 40 0 FFABRP COc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4cnn(C)c4)C3)CC2)c1 ZINC000096157601 209125810 /nfs/dbraw/zinc/12/58/10/209125810.db2.gz LDDHWWXGJAKNEE-UHFFFAOYSA-N 2 0 354.498 2.917 40 0 FFABRP CN(Cc1ccc(F)cc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2Cl)[C@@H]1O ZINC000257243883 509963232 /nfs/dbraw/zinc/96/32/32/509963232.db2.gz IIYUBVZZAUVPPD-YSHGAJCASA-N 2 0 364.848 2.819 40 0 FFABRP CN(C)Cc1c[nH]c([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)n1 ZINC000257291024 509973192 /nfs/dbraw/zinc/97/31/92/509973192.db2.gz QFGUSKXRGTUSPG-IBGZPJMESA-N 2 0 351.454 2.593 40 0 FFABRP CC(C)C[N@@H+]1CC[C@@]2(c3ccccc3)CCC(=O)N(CC[NH+](C)C)C[C@H]12 ZINC000306137239 511761744 /nfs/dbraw/zinc/76/17/44/511761744.db2.gz QQGDDJKWMDRCED-RBBKRZOGSA-N 2 0 357.542 2.839 40 0 FFABRP Cn1cc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC000096220955 209137646 /nfs/dbraw/zinc/13/76/46/209137646.db2.gz VCMIPMJJUKNJKV-FQEVSTJZSA-N 2 0 354.498 2.676 40 0 FFABRP Cn1cccc1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3cccnc3)CO2)CC1 ZINC000096158670 209127554 /nfs/dbraw/zinc/12/75/54/209127554.db2.gz HRFJMFKYTCMIFS-HXUWFJFHSA-N 2 0 354.498 2.676 40 0 FFABRP CCOC(=O)[C@@]1(Cc2cc([C@H]3CCC[N@H+](CC)C3)no2)CCC[NH+](C)C1 ZINC000012275049 207352878 /nfs/dbraw/zinc/35/28/78/207352878.db2.gz DTTODXOCUBSWJV-OXJNMPFZSA-N 2 0 363.502 2.692 40 0 FFABRP Cc1[nH+]cc2cncc(C3CCN(C(=O)CC[NH+]4CCCCC4)CC3)n21 ZINC000257231300 509962504 /nfs/dbraw/zinc/96/25/04/509962504.db2.gz GGCGGEUOFDYDAQ-UHFFFAOYSA-N 2 0 355.486 2.620 40 0 FFABRP COC[C@H]1C[N@H+](Cc2cccnc2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000585102751 518538231 /nfs/dbraw/zinc/53/82/31/518538231.db2.gz CWHANNZDQROLLR-OAQYLSRUSA-N 2 0 366.509 2.837 40 0 FFABRP COc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C(C)C)O3)C2)cc1 ZINC000107739574 209279293 /nfs/dbraw/zinc/27/92/93/209279293.db2.gz DUJTZMNVRFNPQX-RTWAWAEBSA-N 2 0 362.514 2.785 40 0 FFABRP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)s1 ZINC000096052336 209102028 /nfs/dbraw/zinc/10/20/28/209102028.db2.gz GCQLMDDJRZMFHJ-IEBWSBKVSA-N 2 0 350.528 2.902 40 0 FFABRP COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccccc1OC)CC2 ZINC000247884129 509185631 /nfs/dbraw/zinc/18/56/31/509185631.db2.gz RBWFEJIOGPMIQL-IBGZPJMESA-N 2 0 362.514 2.502 40 0 FFABRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4nccn4C)CC3)C2)cc1 ZINC000096158885 209127992 /nfs/dbraw/zinc/12/79/92/209127992.db2.gz AUFFALMHCKXRGW-UHFFFAOYSA-N 2 0 354.498 2.596 40 0 FFABRP COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](CC1CCOCC1)CC2 ZINC000585102796 518539841 /nfs/dbraw/zinc/53/98/41/518539841.db2.gz GFYWLRBBWKYEFT-IBGZPJMESA-N 2 0 362.514 2.867 40 0 FFABRP O=C1CCC[C@]2(CCC[N@H+](Cc3ccncc3)C2)N1CC[NH+]1CCCC1 ZINC000096230006 209140400 /nfs/dbraw/zinc/14/04/00/209140400.db2.gz PRQDONIJAPETAE-OAQYLSRUSA-N 2 0 356.514 2.525 40 0 FFABRP Cn1cccc1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3cccnc3)CO2)CC1 ZINC000096158669 209127785 /nfs/dbraw/zinc/12/77/85/209127785.db2.gz HRFJMFKYTCMIFS-FQEVSTJZSA-N 2 0 354.498 2.676 40 0 FFABRP CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)n1 ZINC000257238304 509961343 /nfs/dbraw/zinc/96/13/43/509961343.db2.gz HKJLUUDMKPJFMB-LJQANCHMSA-N 2 0 358.530 2.803 40 0 FFABRP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709194 211248017 /nfs/dbraw/zinc/24/80/17/211248017.db2.gz LMFPKOZYVGOJJT-DQSGYLJSSA-N 2 0 351.498 2.707 40 0 FFABRP COCC[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1O2 ZINC000096242752 222096985 /nfs/dbraw/zinc/09/69/85/222096985.db2.gz HOCPXDOUQVUBHT-PKOBYXMFSA-N 2 0 360.498 2.617 40 0 FFABRP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@]12CCN(CC[NH+]1CCCC1)C2=O ZINC000096201713 222073968 /nfs/dbraw/zinc/07/39/68/222073968.db2.gz VTCJVAJCLQXQLQ-DYESRHJHSA-N 2 0 359.489 2.592 40 0 FFABRP COc1ccc2c(c1)C[NH+](C[C@@H]1CCOC1)C[C@]1(CCC[N@H+](C)CC1)O2 ZINC000012365607 506856056 /nfs/dbraw/zinc/85/60/56/506856056.db2.gz CTVDQEGCFUMIMQ-LAUBAEHRSA-N 2 0 360.498 2.781 40 0 FFABRP Cc1nn(C)cc1C[NH+]1CCC2(CC1)Nc1ccccc1C1=[NH+]CCCN12 ZINC000072342665 507778420 /nfs/dbraw/zinc/77/84/20/507778420.db2.gz PMLOKVYRBOPXNP-UHFFFAOYSA-N 2 0 364.497 2.599 40 0 FFABRP CNc1nc([C@@H]2CCCC[N@@H+]2CCc2ccccc2)nc2c1CC[NH2+]C2 ZINC000072376542 507781322 /nfs/dbraw/zinc/78/13/22/507781322.db2.gz MEBIHISVWFRKIO-IBGZPJMESA-N 2 0 351.498 2.934 40 0 FFABRP C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccoc1)CC3 ZINC000096036299 508202892 /nfs/dbraw/zinc/20/28/92/508202892.db2.gz DUDKVNDNVKSCPQ-SIKLNZKXSA-N 2 0 371.525 2.826 40 0 FFABRP Cn1cc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC000096220958 222085243 /nfs/dbraw/zinc/08/52/43/222085243.db2.gz VCMIPMJJUKNJKV-HXUWFJFHSA-N 2 0 354.498 2.676 40 0 FFABRP Cc1ccc2c(CC(=O)N(CC[NH+](C)C)C3CC[NH+](C)CC3)coc2c1 ZINC000012238150 506839832 /nfs/dbraw/zinc/83/98/32/506839832.db2.gz NUGCAFGNXYXFBG-UHFFFAOYSA-N 2 0 357.498 2.768 40 0 FFABRP Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCN(C(=O)C3CCCC3)C2)[nH+]1 ZINC000019705294 507193241 /nfs/dbraw/zinc/19/32/41/507193241.db2.gz XSBPGYRXBIEKME-GOSISDBHSA-N 2 0 356.514 2.648 40 0 FFABRP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)s1 ZINC000107738792 507865307 /nfs/dbraw/zinc/86/53/07/507865307.db2.gz QXXBKTPXGYAFNJ-HKUYNNGSSA-N 2 0 350.528 2.760 40 0 FFABRP COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000247886206 509188498 /nfs/dbraw/zinc/18/84/98/509188498.db2.gz RSNRYOFFMRVDHE-LJQANCHMSA-N 2 0 362.514 2.502 40 0 FFABRP COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](CC1CCOCC1)CC2 ZINC000585102799 518538631 /nfs/dbraw/zinc/53/86/31/518538631.db2.gz GFYWLRBBWKYEFT-LJQANCHMSA-N 2 0 362.514 2.867 40 0 FFABRP CCN(C(=O)C1CC[NH+](Cc2ccccc2OC)CC1)C1CC[NH+](C)CC1 ZINC000019714051 211247983 /nfs/dbraw/zinc/24/79/83/211247983.db2.gz RUTYWLOKOYGMGK-UHFFFAOYSA-N 2 0 373.541 2.850 40 0 FFABRP Cc1cc(N2CC[NH2+]CC2)c2cc(I)ccc2[nH+]1 ZINC000225321945 132284269 /nfs/dbraw/zinc/28/42/69/132284269.db2.gz XXQKOIRNTGOUMS-UHFFFAOYSA-N 2 0 353.207 2.557 40 0 FFABRP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC000096055166 222005059 /nfs/dbraw/zinc/00/50/59/222005059.db2.gz RYNHMRLZLGLMPK-IFMALSPDSA-N 2 0 367.493 2.813 40 0 FFABRP c1ccc2c(c1)C[N@@H+]([C@@H]1CCOC1)CC21CC[NH+](C2CCOCC2)CC1 ZINC000096242479 222096483 /nfs/dbraw/zinc/09/64/83/222096483.db2.gz VAFOVKOHHWDUNG-HXUWFJFHSA-N 2 0 356.510 2.804 40 0 FFABRP CCc1ccc(C[NH+]2CCC3(C[C@H]([NH+]4CCN(C)CC4)CO3)CC2)cc1 ZINC000096220846 222084877 /nfs/dbraw/zinc/08/48/77/222084877.db2.gz FZDIZFYEKKUINB-NRFANRHFSA-N 2 0 357.542 2.620 40 0 FFABRP CCOC(=O)[C@@]1(Cc2cc([C@@H]3CCC[N@H+](CC)C3)no2)CCC[NH+](C)C1 ZINC000012275039 506843378 /nfs/dbraw/zinc/84/33/78/506843378.db2.gz DTTODXOCUBSWJV-OXQOHEQNSA-N 2 0 363.502 2.692 40 0 FFABRP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000257312054 223061803 /nfs/dbraw/zinc/06/18/03/223061803.db2.gz UMGRAGVKKPKLOA-GOSISDBHSA-N 2 0 366.509 2.882 40 0 FFABRP C[NH+](C)CC(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000019581801 211237210 /nfs/dbraw/zinc/23/72/10/211237210.db2.gz UJROKKQJNWVGBW-UHFFFAOYSA-N 2 0 363.933 2.904 40 0 FFABRP CC(C)c1ccc(C[N@@H+]2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019453176 211223047 /nfs/dbraw/zinc/22/30/47/211223047.db2.gz NSMWMVKOKLMMLZ-SFHVURJKSA-N 2 0 364.497 2.898 40 0 FFABRP COc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)cc1 ZINC000096051990 222002569 /nfs/dbraw/zinc/00/25/69/222002569.db2.gz MSZQKQYDMIWUSO-CTNGQTDRSA-N 2 0 362.514 2.643 40 0 FFABRP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)s1 ZINC000096052020 222003562 /nfs/dbraw/zinc/00/35/62/222003562.db2.gz QXXBKTPXGYAFNJ-IEBWSBKVSA-N 2 0 350.528 2.760 40 0 FFABRP O=C1CCC[C@@]2(CCC[N@H+](Cc3ccncc3)C2)N1CC[NH+]1CCCC1 ZINC000096230007 222091672 /nfs/dbraw/zinc/09/16/72/222091672.db2.gz PRQDONIJAPETAE-NRFANRHFSA-N 2 0 356.514 2.525 40 0 FFABRP COc1c(C)cccc1C[N@@H+]1CC[C@@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019235901 211208429 /nfs/dbraw/zinc/20/84/29/211208429.db2.gz IMFLOVSBJUANCL-MRXNPFEDSA-N 2 0 365.481 2.697 40 0 FFABRP CC[NH+](CC)CCOC(=O)C(C(=O)OCC[NH+](CC)CC)C1CCCC1 ZINC000004692308 506388632 /nfs/dbraw/zinc/38/86/32/506388632.db2.gz IAHAWEWKXVLUIB-UHFFFAOYSA-N 2 0 370.534 2.563 40 0 FFABRP C[N@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096048088 508204045 /nfs/dbraw/zinc/20/40/45/508204045.db2.gz PPAJYRITCSPLLE-HXUWFJFHSA-N 2 0 352.482 2.732 40 0 FFABRP C[N@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096048093 508204517 /nfs/dbraw/zinc/20/45/17/508204517.db2.gz ALKOAPPDTYQCLO-FQEVSTJZSA-N 2 0 359.514 2.564 40 0 FFABRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000100768857 222252086 /nfs/dbraw/zinc/25/20/86/222252086.db2.gz ZKEZWLQQMYZYEA-MSEWRSJXSA-N 2 0 373.541 2.789 40 0 FFABRP COCC[NH+]1CCC2(C[C@H]([NH2+]Cc3cncn3C)c3ccccc32)CC1 ZINC000096079002 222015447 /nfs/dbraw/zinc/01/54/47/222015447.db2.gz PXAQSRBQPSOLRH-FQEVSTJZSA-N 2 0 354.498 2.635 40 0 FFABRP C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096047991 222000063 /nfs/dbraw/zinc/00/00/63/222000063.db2.gz NGGPZMYHPLFFQK-FQEVSTJZSA-N 2 0 352.482 2.732 40 0 FFABRP COc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+](C)C(C)C)O3)C2)cc1 ZINC000096052316 222003372 /nfs/dbraw/zinc/00/33/72/222003372.db2.gz DUJTZMNVRFNPQX-NHCUHLMSSA-N 2 0 362.514 2.785 40 0 FFABRP CC1CC[NH+](CC(C)(C)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)CC1 ZINC000012147615 506824194 /nfs/dbraw/zinc/82/41/94/506824194.db2.gz AEIKFFVNCSCZEC-QIDMFYOTSA-N 2 0 374.573 2.993 40 0 FFABRP CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccc(F)cc1)C2 ZINC000107738675 507865101 /nfs/dbraw/zinc/86/51/01/507865101.db2.gz FMXYNVBWOCISBY-AZUAARDMSA-N 2 0 350.478 2.773 40 0 FFABRP COc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000247905830 509189761 /nfs/dbraw/zinc/18/97/61/509189761.db2.gz SEXSLTKISRBXOF-LEWJYISDSA-N 2 0 360.498 2.541 40 0 FFABRP COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000247849050 510871483 /nfs/dbraw/zinc/87/14/83/510871483.db2.gz OARJPLMVPGFBMC-LJQANCHMSA-N 2 0 362.514 2.502 40 0 FFABRP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709195 220288438 /nfs/dbraw/zinc/28/84/38/220288438.db2.gz LMFPKOZYVGOJJT-FLXZHSAZSA-N 2 0 351.498 2.707 40 0 FFABRP COc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000096052340 222003525 /nfs/dbraw/zinc/00/35/25/222003525.db2.gz SEXSLTKISRBXOF-NHCUHLMSSA-N 2 0 360.498 2.541 40 0 FFABRP COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccccc1OC)CC2 ZINC000247884132 509185710 /nfs/dbraw/zinc/18/57/10/509185710.db2.gz RBWFEJIOGPMIQL-LJQANCHMSA-N 2 0 362.514 2.502 40 0 FFABRP O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000585288911 518554495 /nfs/dbraw/zinc/55/44/95/518554495.db2.gz LEYHXSFBEPWFBQ-XUVXKRRUSA-N 2 0 350.478 2.952 40 0 FFABRP COc1cc(C)ccc1C[N@@H+]1CC[C@@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019133858 220237558 /nfs/dbraw/zinc/23/75/58/220237558.db2.gz UPSBLSSNHXZFIR-QGZVFWFLSA-N 2 0 365.481 2.697 40 0 FFABRP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+]([C@H]2CCOC2)Cc2ccccc23)cn1 ZINC000096242588 222097086 /nfs/dbraw/zinc/09/70/86/222097086.db2.gz VKXNZCBAGFQDDD-FQEVSTJZSA-N 2 0 366.509 2.558 40 0 FFABRP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096048059 508204523 /nfs/dbraw/zinc/20/45/23/508204523.db2.gz YQFYDTSBOZCKLF-FQEVSTJZSA-N 2 0 352.482 2.732 40 0 FFABRP Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCN(C(=O)C3CCCC3)C2)[nH+]1 ZINC000019705295 507193109 /nfs/dbraw/zinc/19/31/09/507193109.db2.gz XSBPGYRXBIEKME-SFHVURJKSA-N 2 0 356.514 2.648 40 0 FFABRP COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000247886201 509188125 /nfs/dbraw/zinc/18/81/25/509188125.db2.gz RSNRYOFFMRVDHE-IBGZPJMESA-N 2 0 362.514 2.502 40 0 FFABRP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+]([C@@H]2CCOC2)Cc2ccccc23)cn1 ZINC000096242587 222097545 /nfs/dbraw/zinc/09/75/45/222097545.db2.gz VKXNZCBAGFQDDD-HXUWFJFHSA-N 2 0 366.509 2.558 40 0 FFABRP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096048062 508204640 /nfs/dbraw/zinc/20/46/40/508204640.db2.gz BYODYFLDWPZLFE-HXUWFJFHSA-N 2 0 352.482 2.732 40 0 FFABRP COC[C@H]1C[N@H+](Cc2cccnc2)CC12CC[NH+](CC1CCOCC1)CC2 ZINC000585103550 518538935 /nfs/dbraw/zinc/53/89/35/518538935.db2.gz POFNLAWCSQZRLB-OAQYLSRUSA-N 2 0 373.541 2.669 40 0 FFABRP COC[C@@H]1C[N@H+](CC2CCOCC2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000585103650 518539704 /nfs/dbraw/zinc/53/97/04/518539704.db2.gz QNBLTZZIQJAUDW-FQEVSTJZSA-N 2 0 362.514 2.867 40 0 FFABRP CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1ccc(F)cc1)C2 ZINC000096051988 222003678 /nfs/dbraw/zinc/00/36/78/222003678.db2.gz FMXYNVBWOCISBY-QUCCMNQESA-N 2 0 350.478 2.773 40 0 FFABRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174153144 509972645 /nfs/dbraw/zinc/97/26/45/509972645.db2.gz FCOYEGFJFBBLAC-NRFANRHFSA-N 2 0 370.541 2.910 40 0 FFABRP c1ccc2c(c1)C[N@@H+]([C@H]1CCOC1)CC21CC[NH+](C2CCOCC2)CC1 ZINC000096242480 222097126 /nfs/dbraw/zinc/09/71/26/222097126.db2.gz VAFOVKOHHWDUNG-FQEVSTJZSA-N 2 0 356.510 2.804 40 0 FFABRP Cn1cccc1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccncc3)CO2)CC1 ZINC000096158703 222058711 /nfs/dbraw/zinc/05/87/11/222058711.db2.gz NXLAGWYRYIJQRV-FQEVSTJZSA-N 2 0 354.498 2.676 40 0 FFABRP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)s1 ZINC000096052019 222002542 /nfs/dbraw/zinc/00/25/42/222002542.db2.gz QXXBKTPXGYAFNJ-MJGOQNOKSA-N 2 0 350.528 2.760 40 0 FFABRP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC000096218956 222083366 /nfs/dbraw/zinc/08/33/66/222083366.db2.gz IRCCEKJGHMFOSF-FCHUYYIVSA-N 2 0 357.542 2.756 40 0 FFABRP C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccco1)CC3 ZINC000096036297 508203020 /nfs/dbraw/zinc/20/30/20/508203020.db2.gz UFTZYPRAWPGDLA-SIKLNZKXSA-N 2 0 371.525 2.826 40 0 FFABRP C[N@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096048089 508204630 /nfs/dbraw/zinc/20/46/30/508204630.db2.gz PPAJYRITCSPLLE-FQEVSTJZSA-N 2 0 352.482 2.732 40 0 FFABRP COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000247835834 510871312 /nfs/dbraw/zinc/87/13/12/510871312.db2.gz JGEVEXQGVIANEC-KRWDZBQOSA-N 2 0 368.468 2.772 40 0 FFABRP CC(C)C[N@@H+]1CC[C@]2(c3ccccc3)CCC(=O)N(CC[NH+](C)C)C[C@H]12 ZINC000306137240 528027782 /nfs/dbraw/zinc/02/77/82/528027782.db2.gz QQGDDJKWMDRCED-UNMCSNQZSA-N 2 0 357.542 2.839 40 0 FFABRP