smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](Cc1ccccc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000159377923 508833501 /nfs/dbraw/zinc/83/35/01/508833501.db2.gz ONCYNIAYEVEXEX-NVXWUHKLSA-N 1 0 352.906 2.728 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](COC)C2CC2)cc1 ZINC000159397491 508836885 /nfs/dbraw/zinc/83/68/85/508836885.db2.gz PGSUMRAETHPFAT-RDTXWAMCSA-N 1 0 354.516 2.793 20 70 FFIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000159402623 508837708 /nfs/dbraw/zinc/83/77/08/508837708.db2.gz YYSAHTZUXMCYPS-MRXNPFEDSA-N 1 0 356.297 2.908 20 70 FFIDRO CC1(C)CN(C(=O)NCCc2cscn2)CC[N@@H+]1Cc1ccccc1 ZINC000159432658 508841458 /nfs/dbraw/zinc/84/14/58/508841458.db2.gz ZSKKNZUXIHEKJA-UHFFFAOYSA-N 1 0 358.511 2.992 20 70 FFIDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000159446639 508843306 /nfs/dbraw/zinc/84/33/06/508843306.db2.gz LAGNFIURDWNSNL-PKOBYXMFSA-N 1 0 367.497 2.652 20 70 FFIDRO CCOc1ccccc1NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000159454808 508844590 /nfs/dbraw/zinc/84/45/90/508844590.db2.gz SRNNGLJXLYRBDJ-JWTNVVGKSA-N 1 0 372.513 2.860 20 70 FFIDRO Cc1ccc(I)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159454146 508844762 /nfs/dbraw/zinc/84/47/62/508844762.db2.gz DXWHJBNTJCRULO-TXEJJXNPSA-N 1 0 370.234 2.566 20 70 FFIDRO [NH3+]C1(CNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)CCCCC1 ZINC000159465506 508846052 /nfs/dbraw/zinc/84/60/52/508846052.db2.gz WXVOMTRABAJEIO-UHFFFAOYSA-N 1 0 356.445 2.892 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000159477663 508847560 /nfs/dbraw/zinc/84/75/60/508847560.db2.gz PHAIHKHHFUOUJU-CYBMUJFWSA-N 1 0 371.403 2.738 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000159480716 508847609 /nfs/dbraw/zinc/84/76/09/508847609.db2.gz TYRXGZRJTHOKAX-GFCCVEGCSA-N 1 0 355.841 2.512 20 70 FFIDRO CC(C)[C@@H](O)C(C)(C)CNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000159492319 508849254 /nfs/dbraw/zinc/84/92/54/508849254.db2.gz NAMMOJFLMJJHFK-QGZVFWFLSA-N 1 0 353.482 2.600 20 70 FFIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(OCc2nccn2C)cc1 ZINC000159499427 508850746 /nfs/dbraw/zinc/85/07/46/508850746.db2.gz LDAUNHWUJZHISU-MRXNPFEDSA-N 1 0 356.470 2.662 20 70 FFIDRO C[NH+](C)CCOc1cc(CNC(=O)[C@@H](c2ccccc2)C2CC2)ccn1 ZINC000159567146 508859929 /nfs/dbraw/zinc/85/99/29/508859929.db2.gz UQKRKQVPPHUFMZ-FQEVSTJZSA-N 1 0 353.466 2.832 20 70 FFIDRO CC(C)CCn1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000159570821 508860586 /nfs/dbraw/zinc/86/05/86/508860586.db2.gz PWMRVSZMZOUEOO-KRWDZBQOSA-N 1 0 363.506 2.505 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCc2nnc(-c3ccccc3)o2)C1 ZINC000159602639 508864353 /nfs/dbraw/zinc/86/43/53/508864353.db2.gz VTLQALFYGCUFTD-INIZCTEOSA-N 1 0 371.485 2.556 20 70 FFIDRO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2C(=O)NC(C)C)[NH+](C)C)cc1 ZINC000159651612 508871097 /nfs/dbraw/zinc/87/10/97/508871097.db2.gz UPLFZCTXZZYRRX-RBUKOAKNSA-N 1 0 374.529 2.550 20 70 FFIDRO COC(=O)C1CCC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000159669257 508873796 /nfs/dbraw/zinc/87/37/96/508873796.db2.gz MCWRPAGZCFHVIA-HJZRJOMTSA-N 1 0 373.497 2.538 20 70 FFIDRO C[C@@H](CNC(=O)N1CCC(C2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000159685727 508875830 /nfs/dbraw/zinc/87/58/30/508875830.db2.gz OSDNJFDKORNJGX-KRWDZBQOSA-N 1 0 351.535 2.957 20 70 FFIDRO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159740267 508883243 /nfs/dbraw/zinc/88/32/43/508883243.db2.gz UNKNYMRWLZQQRM-INIZCTEOSA-N 1 0 365.905 2.872 20 70 FFIDRO Cc1ccc(Br)c(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000159746300 508884328 /nfs/dbraw/zinc/88/43/28/508884328.db2.gz ISUJSPVGRPXUSQ-AWEZNQCLSA-N 1 0 369.303 2.580 20 70 FFIDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159805903 508893951 /nfs/dbraw/zinc/89/39/51/508893951.db2.gz LXKXNHWGNFEMJA-AEFFLSMTSA-N 1 0 356.470 2.520 20 70 FFIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000159828388 508896757 /nfs/dbraw/zinc/89/67/57/508896757.db2.gz AZBVVMGEXDZANA-SJORKVTESA-N 1 0 369.469 2.547 20 70 FFIDRO C[NH+](C)CCN(C(=O)NCc1ccnc(N2CCCC2)c1)C1CCCC1 ZINC000159858363 508901487 /nfs/dbraw/zinc/90/14/87/508901487.db2.gz KRXXJPCAOPNLKZ-UHFFFAOYSA-N 1 0 359.518 2.698 20 70 FFIDRO Cc1ccc([C@H](CNC(=O)Nc2ccnn2C[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000159856504 508901842 /nfs/dbraw/zinc/90/18/42/508901842.db2.gz ODDYCBGYGKRLPL-WMZOPIPTSA-N 1 0 371.485 2.652 20 70 FFIDRO CN(Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C[C@H]1CCC[C@@H]1O ZINC000159863327 508902450 /nfs/dbraw/zinc/90/24/50/508902450.db2.gz ISAISHXMXUHWPX-YPMHNXCESA-N 1 0 359.451 2.837 20 70 FFIDRO CCOC(=O)CC[C@H](C)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159889957 508907214 /nfs/dbraw/zinc/90/72/14/508907214.db2.gz OLOMQILRVPUNTP-BQFCYCMXSA-N 1 0 361.486 2.538 20 70 FFIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)Cc1c(F)cccc1Cl ZINC000159978808 508919957 /nfs/dbraw/zinc/91/99/57/508919957.db2.gz PZUVLDKKUHFHFA-UHFFFAOYSA-N 1 0 356.869 2.838 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)N2CCC(n3ccnc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000159987638 508920543 /nfs/dbraw/zinc/92/05/43/508920543.db2.gz RXZCFQMVPXQBSV-IEBWSBKVSA-N 1 0 367.497 2.893 20 70 FFIDRO C[NH+](C)CCC1CCN(C(=O)NCCc2nnc(-c3ccccc3)o2)CC1 ZINC000159988732 508922062 /nfs/dbraw/zinc/92/20/62/508922062.db2.gz JWPWNOZZZOUUJT-UHFFFAOYSA-N 1 0 371.485 2.652 20 70 FFIDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160009098 508925302 /nfs/dbraw/zinc/92/53/02/508925302.db2.gz QJOLVXVPQQWBPF-WMLDXEAASA-N 1 0 372.431 2.847 20 70 FFIDRO Cc1cccc(-c2cncc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)c2)c1 ZINC000160028577 508927410 /nfs/dbraw/zinc/92/74/10/508927410.db2.gz OOVTUYZLGSIQKB-FQEVSTJZSA-N 1 0 353.466 2.634 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)c1cccs1 ZINC000160039480 508929095 /nfs/dbraw/zinc/92/90/95/508929095.db2.gz CGTULUKXDSDHCW-HNNXBMFYSA-N 1 0 374.510 2.935 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000160101129 508938710 /nfs/dbraw/zinc/93/87/10/508938710.db2.gz AYRDIDFOVPLCIH-NUEKZKHPSA-N 1 0 370.415 2.772 20 70 FFIDRO O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000160126881 508942345 /nfs/dbraw/zinc/94/23/45/508942345.db2.gz ORVDZWQBKGEYEF-UHFFFAOYSA-N 1 0 367.852 2.656 20 70 FFIDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000160153441 508946856 /nfs/dbraw/zinc/94/68/56/508946856.db2.gz YGZUCDWTQJXZII-GJZGRUSLSA-N 1 0 371.447 2.636 20 70 FFIDRO CSC[C@](C)(O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000160200139 508953256 /nfs/dbraw/zinc/95/32/56/508953256.db2.gz RCJUMAAKHNDLHC-HNAYVOBHSA-N 1 0 365.543 2.625 20 70 FFIDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)CCc1nccs1 ZINC000160236326 508958517 /nfs/dbraw/zinc/95/85/17/508958517.db2.gz TUVDDXRFGLARSU-UHFFFAOYSA-N 1 0 373.526 2.910 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(-c2ccccc2)on1 ZINC000160254600 508961063 /nfs/dbraw/zinc/96/10/63/508961063.db2.gz KAERWYWJQVVLBY-RBUKOAKNSA-N 1 0 369.465 2.839 20 70 FFIDRO C[C@@H]1CCC[N@H+](CCNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)C1 ZINC000160257455 508961877 /nfs/dbraw/zinc/96/18/77/508961877.db2.gz HNEOLTCAYPFNKP-IPJUCJBFSA-N 1 0 363.546 2.700 20 70 FFIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCNC(=O)C1CCCCC1 ZINC000160272005 508963542 /nfs/dbraw/zinc/96/35/42/508963542.db2.gz WVZJYYKVEKYNEC-QGZVFWFLSA-N 1 0 351.535 2.844 20 70 FFIDRO CCCc1ncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000160324305 508970827 /nfs/dbraw/zinc/97/08/27/508970827.db2.gz UNZUOLIUFULRMK-HUUCEWRRSA-N 1 0 351.516 2.593 20 70 FFIDRO CN(C[C@H]1CCC[C@H]1O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000160326459 508971002 /nfs/dbraw/zinc/97/10/02/508971002.db2.gz DIWBNCPEBLSOIN-LZLYRXPVSA-N 1 0 365.543 2.763 20 70 FFIDRO Cc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)cnn1C1CCOCC1 ZINC000160416876 508984539 /nfs/dbraw/zinc/98/45/39/508984539.db2.gz FLYZONNILIVCFJ-UHFFFAOYSA-N 1 0 356.470 2.535 20 70 FFIDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160444230 508987687 /nfs/dbraw/zinc/98/76/87/508987687.db2.gz DZSYGDWZYYOOCH-PKOBYXMFSA-N 1 0 363.477 2.857 20 70 FFIDRO Brc1ccc(N2CCN(CCC[NH+]3CCCCC3)CC2)nc1 ZINC000160453077 508989091 /nfs/dbraw/zinc/98/90/91/508989091.db2.gz UQSOGRVCHPEIDY-UHFFFAOYSA-N 1 0 367.335 2.842 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(=O)NC2CC2)cc1)c1ccc(F)cc1 ZINC000160481726 508993336 /nfs/dbraw/zinc/99/33/36/508993336.db2.gz XCCCZYAPGIWBAS-IBGZPJMESA-N 1 0 369.440 2.751 20 70 FFIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000160509906 508996436 /nfs/dbraw/zinc/99/64/36/508996436.db2.gz FKDHXOZTSUHWHK-FQEVSTJZSA-N 1 0 370.497 2.828 20 70 FFIDRO CC(C)(C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000160515059 508997300 /nfs/dbraw/zinc/99/73/00/508997300.db2.gz VAGMHOAWNFJOKW-IAGOWNOFSA-N 1 0 358.507 2.777 20 70 FFIDRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160521286 508998110 /nfs/dbraw/zinc/99/81/10/508998110.db2.gz SDZAUCBZQNUBKR-LBPRGKRZSA-N 1 0 374.407 2.889 20 70 FFIDRO COc1ccccc1CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160559659 509002673 /nfs/dbraw/zinc/00/26/73/509002673.db2.gz BBRFVJMSRYXFSJ-RBUKOAKNSA-N 1 0 360.498 2.512 20 70 FFIDRO Cc1ccc(C(=O)CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160570768 509004571 /nfs/dbraw/zinc/00/45/71/509004571.db2.gz OJOKPUHIFFRWQF-PZJWPPBQSA-N 1 0 372.509 2.842 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000160656890 509015462 /nfs/dbraw/zinc/01/54/62/509015462.db2.gz LCCQCHCEXLYNAN-HNNXBMFYSA-N 1 0 363.255 2.801 20 70 FFIDRO COc1cc(CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C2CC2)ccc1O ZINC000160689712 509021079 /nfs/dbraw/zinc/02/10/79/509021079.db2.gz OAFYARVUXHAHTR-INIZCTEOSA-N 1 0 359.470 2.559 20 70 FFIDRO Cc1c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1C1CCOCC1 ZINC000160857778 509040657 /nfs/dbraw/zinc/04/06/57/509040657.db2.gz YDAKEWDMPUEIGA-HRCADAONSA-N 1 0 362.518 2.639 20 70 FFIDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000160882413 509043840 /nfs/dbraw/zinc/04/38/40/509043840.db2.gz JEGDQCVWNKDDBT-ZIAGYGMSSA-N 1 0 359.470 2.618 20 70 FFIDRO C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cn(-c2ccccc2)nn1 ZINC000160901049 509045551 /nfs/dbraw/zinc/04/55/51/509045551.db2.gz FCMPUOYFHXDEJC-QAPCUYQASA-N 1 0 372.517 2.994 20 70 FFIDRO CCC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(OC)cc1 ZINC000160962147 509054269 /nfs/dbraw/zinc/05/42/69/509054269.db2.gz VBUWJWOMQKNSGH-IBGZPJMESA-N 1 0 369.465 2.541 20 70 FFIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000160999772 509058434 /nfs/dbraw/zinc/05/84/34/509058434.db2.gz CHLDDUTVJBXNKG-CQSZACIVSA-N 1 0 352.500 2.578 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(CSc3nccn3C)o2)CC1 ZINC000161022669 509060782 /nfs/dbraw/zinc/06/07/82/509060782.db2.gz QAGTWNAVGVZTSK-UHFFFAOYSA-N 1 0 362.499 2.767 20 70 FFIDRO CCOC[C@@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161037621 509062936 /nfs/dbraw/zinc/06/29/36/509062936.db2.gz HLJHDTAIJBRPIM-CYBMUJFWSA-N 1 0 357.292 2.812 20 70 FFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000161032010 509062323 /nfs/dbraw/zinc/06/23/23/509062323.db2.gz DBDFTUGGALGHDI-QGZVFWFLSA-N 1 0 359.514 2.836 20 70 FFIDRO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161039721 509064053 /nfs/dbraw/zinc/06/40/53/509064053.db2.gz ALFLDGCGPMGZAO-AABGKKOBSA-N 1 0 354.450 2.877 20 70 FFIDRO COCCC1(CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000161081632 509068774 /nfs/dbraw/zinc/06/87/74/509068774.db2.gz UBCUZARUUITIJO-GOSISDBHSA-N 1 0 351.535 2.957 20 70 FFIDRO COCCC1(CNC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)CC1 ZINC000161090184 509069359 /nfs/dbraw/zinc/06/93/59/509069359.db2.gz FFQAHYCKINQXFR-UHFFFAOYSA-N 1 0 374.529 2.547 20 70 FFIDRO CCC(=O)N1CC[C@@H](C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000161103969 509072028 /nfs/dbraw/zinc/07/20/28/509072028.db2.gz QRIJJUJBLVQTDN-RTBURBONSA-N 1 0 357.498 2.507 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2(O)CCCCC2)CC1 ZINC000161189668 509083759 /nfs/dbraw/zinc/08/37/59/509083759.db2.gz CDGJQXCZILWMRJ-INIZCTEOSA-N 1 0 360.502 2.601 20 70 FFIDRO CCC[C@@H]1CN(C(=O)NCc2cc3ccccc3[nH]2)CC[N@@H+]1CCOC ZINC000161293444 509097948 /nfs/dbraw/zinc/09/79/48/509097948.db2.gz CBHITZOKHNYQLM-GOSISDBHSA-N 1 0 358.486 2.810 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000161311328 509100531 /nfs/dbraw/zinc/10/05/31/509100531.db2.gz IBOCXYQKQRPXJD-LBPRGKRZSA-N 1 0 356.396 2.923 20 70 FFIDRO Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1I ZINC000161339107 509103434 /nfs/dbraw/zinc/10/34/34/509103434.db2.gz HBDHFKQMBLCNRX-RYUDHWBXSA-N 1 0 358.223 2.599 20 70 FFIDRO Cc1c(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cnn1CCC(C)C ZINC000161342082 509104484 /nfs/dbraw/zinc/10/44/84/509104484.db2.gz LKRZIIPSDSWABB-QGZVFWFLSA-N 1 0 365.522 2.596 20 70 FFIDRO C[C@H]1CN(Cc2cccc(C[NH2+]C3CCC4(CC3)OCCO4)c2)CCO1 ZINC000161362029 509106718 /nfs/dbraw/zinc/10/67/18/509106718.db2.gz SDSFWZKYXJODTI-KRWDZBQOSA-N 1 0 360.498 2.683 20 70 FFIDRO CCC(=O)N1CC[C@H](C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000161363496 509106758 /nfs/dbraw/zinc/10/67/58/509106758.db2.gz XPSSNIYSMDROGP-FQEVSTJZSA-N 1 0 371.525 2.793 20 70 FFIDRO Cc1onc(-c2ccccn2)c1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000161449745 509116216 /nfs/dbraw/zinc/11/62/16/509116216.db2.gz PJPJYNFISOAYEH-UHFFFAOYSA-N 1 0 350.422 2.907 20 70 FFIDRO O=C(CN1CCC([C@@H](O)C(F)(F)F)CC1)N1CCCc2ccccc21 ZINC000161494888 509121733 /nfs/dbraw/zinc/12/17/33/509121733.db2.gz ICAGKHOKODKOAI-QGZVFWFLSA-N 1 0 356.388 2.601 20 70 FFIDRO COc1ccc([C@@H](CNC(=O)c2cc(OC)ccc2O)[NH+]2CCCC2)cc1 ZINC000218279652 509277232 /nfs/dbraw/zinc/27/72/32/509277232.db2.gz DCMXGMOQFAKGFA-LJQANCHMSA-N 1 0 370.449 2.976 20 70 FFIDRO Cc1c(C(=O)N2CC3(CCCC3)c3ccccc32)nnn1C1CC[NH2+]CC1 ZINC000159367412 508831641 /nfs/dbraw/zinc/83/16/41/508831641.db2.gz BZIBNWPCROPTAS-UHFFFAOYSA-N 1 0 365.481 2.983 20 70 FFIDRO CCc1ccc(CC)c(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159363555 508831648 /nfs/dbraw/zinc/83/16/48/508831648.db2.gz ZDSKCHONDLEGPI-QGZVFWFLSA-N 1 0 359.514 2.844 20 70 FFIDRO O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159381591 508834091 /nfs/dbraw/zinc/83/40/91/508834091.db2.gz NFRLGMQLBPIGGM-OKILXGFUSA-N 1 0 361.392 2.905 20 70 FFIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000159398303 508836709 /nfs/dbraw/zinc/83/67/09/508836709.db2.gz ZKWOKRYBLRNLMA-INIZCTEOSA-N 1 0 356.297 2.908 20 70 FFIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000159450349 508843953 /nfs/dbraw/zinc/84/39/53/508843953.db2.gz XXMBPRVSCFSFGC-BZUAXINKSA-N 1 0 357.498 2.692 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)CSc1cccc(Br)c1)C1CC1 ZINC000159463144 508845486 /nfs/dbraw/zinc/84/54/86/508845486.db2.gz MAOPUIAWMRHJFD-CQSZACIVSA-N 1 0 357.317 2.998 20 70 FFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000159497746 508850189 /nfs/dbraw/zinc/85/01/89/508850189.db2.gz WCVCRQJPGRTWNF-MRXNPFEDSA-N 1 0 352.910 2.900 20 70 FFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000159644742 508869982 /nfs/dbraw/zinc/86/99/82/508869982.db2.gz VIDOEVOIRBLADU-AAEUAGOBSA-N 1 0 365.271 2.811 20 70 FFIDRO Cn1nccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159761259 508886344 /nfs/dbraw/zinc/88/63/44/508886344.db2.gz SCEBLSCWOFELKY-ICSRJNTNSA-N 1 0 367.497 2.616 20 70 FFIDRO CCN(C(=O)NCc1cccc(OC)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159850682 508899958 /nfs/dbraw/zinc/89/99/58/508899958.db2.gz BSXLOURLJXHNSA-LJQANCHMSA-N 1 0 368.481 2.896 20 70 FFIDRO CCOc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc(OCC)c1OCC ZINC000159881932 508906043 /nfs/dbraw/zinc/90/60/43/508906043.db2.gz PJOUBMZMZZRQDZ-IYBDPMFKSA-N 1 0 362.470 2.849 20 70 FFIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000159922585 508911544 /nfs/dbraw/zinc/91/15/44/508911544.db2.gz ASSBAPDWNCCXKS-GJZGRUSLSA-N 1 0 367.428 2.762 20 70 FFIDRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)N3CCC[N@H+](CC)CC3)ccc2NC1=O ZINC000159935920 508914044 /nfs/dbraw/zinc/91/40/44/508914044.db2.gz OHGMAMDSMCIWEW-RHSMWYFYSA-N 1 0 374.485 2.594 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000159957024 508917262 /nfs/dbraw/zinc/91/72/62/508917262.db2.gz XIPAXIFGAVFGIW-KPFFTGBYSA-N 1 0 357.498 2.717 20 70 FFIDRO CCCCn1ncc(NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)c1C ZINC000159966036 508918408 /nfs/dbraw/zinc/91/84/08/508918408.db2.gz XYHVAZPHGMPGMI-UHFFFAOYSA-N 1 0 372.473 2.749 20 70 FFIDRO CC[C@H](C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)[NH+](C)C ZINC000159984613 508920644 /nfs/dbraw/zinc/92/06/44/508920644.db2.gz PGJRQIUKGSVAEJ-GOEBONIOSA-N 1 0 360.433 2.922 20 70 FFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NCC(F)(F)F ZINC000159988902 508921954 /nfs/dbraw/zinc/92/19/54/508921954.db2.gz ARUOKYDJFGFQRO-AWEZNQCLSA-N 1 0 372.435 2.687 20 70 FFIDRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)C(C)(C)C ZINC000160011133 508924891 /nfs/dbraw/zinc/92/48/91/508924891.db2.gz KBXFHVNZSSMEGV-MRXNPFEDSA-N 1 0 362.518 2.937 20 70 FFIDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cccnc2-c2ccccc2)CC1 ZINC000160074014 508934514 /nfs/dbraw/zinc/93/45/14/508934514.db2.gz OLHVOUGBCKOSNL-UHFFFAOYSA-N 1 0 366.465 2.535 20 70 FFIDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1 ZINC000160140164 508944632 /nfs/dbraw/zinc/94/46/32/508944632.db2.gz ODWYEJTXMBOMEM-HNNXBMFYSA-N 1 0 354.433 2.584 20 70 FFIDRO O=S(=O)(Cc1ccc(Cl)nc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160155407 508946681 /nfs/dbraw/zinc/94/66/81/508946681.db2.gz NIVSYLHUFRZRIO-HNNXBMFYSA-N 1 0 357.907 2.515 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1F ZINC000160155930 508946700 /nfs/dbraw/zinc/94/67/00/508946700.db2.gz KYURZPVADDIWPG-DLBZAZTESA-N 1 0 354.853 2.977 20 70 FFIDRO C[C@H](CNC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000160153196 508946707 /nfs/dbraw/zinc/94/67/07/508946707.db2.gz YGZUCDWTQJXZII-LSDHHAIUSA-N 1 0 371.447 2.636 20 70 FFIDRO CSC[C@@](C)(O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000160199877 508953424 /nfs/dbraw/zinc/95/34/24/508953424.db2.gz RCJUMAAKHNDLHC-KXBFYZLASA-N 1 0 365.543 2.625 20 70 FFIDRO Cc1cccc2c(CC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)c[nH]c21 ZINC000160220250 508955953 /nfs/dbraw/zinc/95/59/53/508955953.db2.gz LGASRIBTBIBTLB-UXHICEINSA-N 1 0 369.509 2.903 20 70 FFIDRO Cc1cccc2c(CC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)c[nH]c21 ZINC000160220557 508955975 /nfs/dbraw/zinc/95/59/75/508955975.db2.gz LGASRIBTBIBTLB-VQTJNVASSA-N 1 0 369.509 2.903 20 70 FFIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2ccc(N3CCCC3)nc2)CC1 ZINC000160220628 508955999 /nfs/dbraw/zinc/95/59/99/508955999.db2.gz HZHYYSUFIIGXMA-UHFFFAOYSA-N 1 0 373.545 2.945 20 70 FFIDRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160245275 508960241 /nfs/dbraw/zinc/96/02/41/508960241.db2.gz ZSPMJHXXCCZNNN-QZTJIDSGSA-N 1 0 362.514 2.849 20 70 FFIDRO Cc1cccc(-n2cc(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)nn2)c1 ZINC000160273209 508963038 /nfs/dbraw/zinc/96/30/38/508963038.db2.gz GZSDSZCYQVRAJS-KRWDZBQOSA-N 1 0 355.486 2.960 20 70 FFIDRO C[C@H]1C[NH+](CCCNC(=O)Cc2cccc(OC(F)(F)F)c2)C[C@H](C)O1 ZINC000160269929 508963317 /nfs/dbraw/zinc/96/33/17/508963317.db2.gz DFAWGYBKJGHIKD-KBPBESRZSA-N 1 0 374.403 2.743 20 70 FFIDRO C[C@@H](O)C[C@@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000160274258 508963609 /nfs/dbraw/zinc/96/36/09/508963609.db2.gz SOPMFQICIVYMDQ-QUCCMNQESA-N 1 0 374.525 2.692 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000160270282 508963622 /nfs/dbraw/zinc/96/36/22/508963622.db2.gz JDGRRHBMVNSGIP-CVEARBPZSA-N 1 0 353.532 2.510 20 70 FFIDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCNC(=O)C2CCCCC2)C1 ZINC000160286628 508964878 /nfs/dbraw/zinc/96/48/78/508964878.db2.gz CMXRLVATBKXOAV-ROUUACIJSA-N 1 0 365.562 2.947 20 70 FFIDRO CC(C)[C@H](CNC(=O)N1CCCN(CC(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000160284384 508965010 /nfs/dbraw/zinc/96/50/10/508965010.db2.gz PNZWYOBNCQUSPC-KRWDZBQOSA-N 1 0 374.520 2.725 20 70 FFIDRO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)sc2cccc(F)c12 ZINC000160309000 508968616 /nfs/dbraw/zinc/96/86/16/508968616.db2.gz DBUDZZGKWGZBCJ-CYBMUJFWSA-N 1 0 350.459 2.925 20 70 FFIDRO COc1cc(CCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)ccc1C ZINC000160321744 508970039 /nfs/dbraw/zinc/97/00/39/508970039.db2.gz OGOMUYDCEFURQO-UHFFFAOYSA-N 1 0 352.478 2.984 20 70 FFIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(C2CCOCC2)c1C ZINC000160339880 508973454 /nfs/dbraw/zinc/97/34/54/508973454.db2.gz NGMHZVZHQSULOB-SFHVURJKSA-N 1 0 362.518 2.927 20 70 FFIDRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CCOCC4CC4)CC3)cc2NC1=O ZINC000160358985 508975710 /nfs/dbraw/zinc/97/57/10/508975710.db2.gz GPOBANFQRNTICP-AWEZNQCLSA-N 1 0 372.465 2.727 20 70 FFIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000160368448 508976683 /nfs/dbraw/zinc/97/66/83/508976683.db2.gz JTDGTLPUDOSZKV-IBGZPJMESA-N 1 0 359.470 2.946 20 70 FFIDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccccc1OC(F)(F)F ZINC000160372569 508977882 /nfs/dbraw/zinc/97/78/82/508977882.db2.gz BUWUTFYIUPGNMS-ZDUSSCGKSA-N 1 0 373.419 2.788 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)C[N@@H+]1Cc1ccccc1 ZINC000160397334 508980788 /nfs/dbraw/zinc/98/07/88/508980788.db2.gz KEWKOVUZFBCNCV-SKBHOOIQSA-N 1 0 365.477 2.607 20 70 FFIDRO Cc1nc(COc2cccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2)cs1 ZINC000160413571 508983703 /nfs/dbraw/zinc/98/37/03/508983703.db2.gz FFXADWUYTYIOOF-IYBDPMFKSA-N 1 0 357.479 2.997 20 70 FFIDRO COc1cc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)ccc1SC ZINC000160416784 508984586 /nfs/dbraw/zinc/98/45/86/508984586.db2.gz BGASUYSBNQWGTE-CQSZACIVSA-N 1 0 365.543 2.620 20 70 FFIDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160443968 508987892 /nfs/dbraw/zinc/98/78/92/508987892.db2.gz DZSYGDWZYYOOCH-HKUYNNGSSA-N 1 0 363.477 2.857 20 70 FFIDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160463931 508990820 /nfs/dbraw/zinc/99/08/20/508990820.db2.gz KIUKOUHEIXYGQJ-QFBILLFUSA-N 1 0 361.486 2.843 20 70 FFIDRO O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCC1CC[NH+](CCO)CC1 ZINC000160535066 508999646 /nfs/dbraw/zinc/99/96/46/508999646.db2.gz AQEWQYWCXGRGQY-INIZCTEOSA-N 1 0 358.404 2.543 20 70 FFIDRO O=C(C[C@@H]1CCOc2ccccc21)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160548891 509001575 /nfs/dbraw/zinc/00/15/75/509001575.db2.gz DDQURNDZBKSMLU-DBVUQKKJSA-N 1 0 372.509 2.827 20 70 FFIDRO CC[C@](C)(O)C[NH+]1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000160580221 509005958 /nfs/dbraw/zinc/00/59/58/509005958.db2.gz FGJHEJDNTLYBOR-JXFKEZNVSA-N 1 0 358.486 2.885 20 70 FFIDRO C[N@H+](CC[C@@H]1CCOC1=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160609212 509010004 /nfs/dbraw/zinc/01/00/04/509010004.db2.gz ZMQFYAYBSODCRY-JZWPEALZSA-N 1 0 352.475 2.802 20 70 FFIDRO Cc1cccc(OCCC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000160624103 509011837 /nfs/dbraw/zinc/01/18/37/509011837.db2.gz DACWZFANMQCAIL-VQTJNVASSA-N 1 0 368.477 2.516 20 70 FFIDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160628305 509012189 /nfs/dbraw/zinc/01/21/89/509012189.db2.gz HWTXDKUHSZACNA-WMLDXEAASA-N 1 0 372.431 2.847 20 70 FFIDRO CN(CC[NH+](C)C)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000160646908 509014031 /nfs/dbraw/zinc/01/40/31/509014031.db2.gz QYBILCPJEKJERE-UHFFFAOYSA-N 1 0 353.829 2.749 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(C(F)(F)F)nc1 ZINC000160653604 509015125 /nfs/dbraw/zinc/01/51/25/509015125.db2.gz YWSLYUCTKPJACA-LSDHHAIUSA-N 1 0 371.403 2.598 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC000160680193 509019618 /nfs/dbraw/zinc/01/96/18/509019618.db2.gz JRDMIIBIPZNPMK-LBPRGKRZSA-N 1 0 362.804 2.518 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1 ZINC000160733085 509025869 /nfs/dbraw/zinc/02/58/69/509025869.db2.gz OQFIIKGXGKSQJV-UHFFFAOYSA-N 1 0 371.506 2.798 20 70 FFIDRO Cc1ccc2c(c1)[C@@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)CO2 ZINC000160733080 509026034 /nfs/dbraw/zinc/02/60/34/509026034.db2.gz MNRYHDGSUOFZGZ-HKUYNNGSSA-N 1 0 353.466 2.901 20 70 FFIDRO O=C(/C=C/SCc1ccco1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160736225 509026787 /nfs/dbraw/zinc/02/67/87/509026787.db2.gz PNZUSJMKIBMLJQ-AGGBBVAOSA-N 1 0 364.511 2.911 20 70 FFIDRO CCOc1ccccc1CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160747694 509027972 /nfs/dbraw/zinc/02/79/72/509027972.db2.gz IVIQIGKOLREYTE-VQTJNVASSA-N 1 0 374.525 2.902 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)o1 ZINC000160754767 509028925 /nfs/dbraw/zinc/02/89/25/509028925.db2.gz AKIFHEOMRXXRBM-CHWSQXEVSA-N 1 0 371.275 2.540 20 70 FFIDRO COc1ccc(OC)c(CN(CCCS(=O)(=O)C(C)C)C2CC2)c1 ZINC000160776013 509031364 /nfs/dbraw/zinc/03/13/64/509031364.db2.gz SVAXXLBRBQMPQZ-UHFFFAOYSA-N 1 0 355.500 2.882 20 70 FFIDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc(Cl)n1 ZINC000160784296 509032712 /nfs/dbraw/zinc/03/27/12/509032712.db2.gz GMZRLGSUNJHUQA-HOTGVXAUSA-N 1 0 351.878 2.541 20 70 FFIDRO COCCC1(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCC1 ZINC000160798070 509034108 /nfs/dbraw/zinc/03/41/08/509034108.db2.gz JNWPGDLPDYOYAS-UHFFFAOYSA-N 1 0 351.466 2.893 20 70 FFIDRO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160810054 509035506 /nfs/dbraw/zinc/03/55/06/509035506.db2.gz NNEWTFAPBPFEII-SJLPKXTDSA-N 1 0 359.518 2.900 20 70 FFIDRO CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000160840516 509039276 /nfs/dbraw/zinc/03/92/76/509039276.db2.gz IAEYHLHIOBFRST-OAHLLOKOSA-N 1 0 359.518 2.628 20 70 FFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000160853511 509040065 /nfs/dbraw/zinc/04/00/65/509040065.db2.gz HIMCPYZDKZVAMC-IBGZPJMESA-N 1 0 356.514 2.531 20 70 FFIDRO CN(C(=O)[C@@H]1CCc2c[nH]nc2C1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160856188 509040937 /nfs/dbraw/zinc/04/09/37/509040937.db2.gz MSSLLOKZAARRKD-MRXNPFEDSA-N 1 0 368.481 2.652 20 70 FFIDRO CC(C)[C@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000160879511 509043026 /nfs/dbraw/zinc/04/30/26/509043026.db2.gz XMNRJGOBBJCJBD-AAEUAGOBSA-N 1 0 363.239 2.665 20 70 FFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000160902185 509045568 /nfs/dbraw/zinc/04/55/68/509045568.db2.gz QNNZBZOWNUJBFH-VQIMIIECSA-N 1 0 361.486 2.987 20 70 FFIDRO Cc1ccc(NS(C)(=O)=O)c(NC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000160906122 509046463 /nfs/dbraw/zinc/04/64/63/509046463.db2.gz ASPKMQHWWOQBGC-OAHLLOKOSA-N 1 0 361.467 2.785 20 70 FFIDRO CC(C)[C@H](CNC(=O)NC1CCC(C(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000160908570 509046582 /nfs/dbraw/zinc/04/65/82/509046582.db2.gz GLEYQYRDSCAQGA-ACBHZAAOSA-N 1 0 352.567 2.772 20 70 FFIDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(OC)c(O)c(OC)c2)CC1 ZINC000160990175 509057086 /nfs/dbraw/zinc/05/70/86/509057086.db2.gz YQRBZSYGJVRKEO-UHFFFAOYSA-N 1 0 364.486 2.994 20 70 FFIDRO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161032585 509062412 /nfs/dbraw/zinc/06/24/12/509062412.db2.gz FCMXSBSHDINFAJ-IDHHARJASA-N 1 0 350.890 2.972 20 70 FFIDRO COc1ccc(Br)cc1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000161073450 509068088 /nfs/dbraw/zinc/06/80/88/509068088.db2.gz DXXLPUBHVVKWMI-GFCCVEGCSA-N 1 0 355.276 2.919 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2c2ncnc3sccc32)CC1 ZINC000161125339 509074839 /nfs/dbraw/zinc/07/48/39/509074839.db2.gz LCCAFBUFGPWPDZ-INIZCTEOSA-N 1 0 373.526 2.508 20 70 FFIDRO CC(C)(C)CNC(=O)c1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000161133163 509075729 /nfs/dbraw/zinc/07/57/29/509075729.db2.gz XMCBHPDIAXQWBU-UHFFFAOYSA-N 1 0 357.498 2.630 20 70 FFIDRO C[N@H+](CCO)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000161157243 509078526 /nfs/dbraw/zinc/07/85/26/509078526.db2.gz ACNPRHXCCXPODK-UHFFFAOYSA-N 1 0 360.285 2.592 20 70 FFIDRO CCC[C@@H](CCO)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161174037 509080865 /nfs/dbraw/zinc/08/08/65/509080865.db2.gz IILPIIXEFVBGRJ-IRXDYDNUSA-N 1 0 362.518 2.705 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H](CO)c2ccccc2)CC1 ZINC000161181963 509082193 /nfs/dbraw/zinc/08/21/93/509082193.db2.gz UYNBVLAASKPOCE-OXQOHEQNSA-N 1 0 368.481 2.640 20 70 FFIDRO COc1ccc([C@H](C[NH2+]C2CCC(NC(C)=O)CC2)N2CCCC2)cc1 ZINC000161206055 509085898 /nfs/dbraw/zinc/08/58/98/509085898.db2.gz ZFLMHQZURXVWPJ-GRERDSQWSA-N 1 0 359.514 2.869 20 70 FFIDRO CSCC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)c1nnc2ccccn21 ZINC000161239593 509090744 /nfs/dbraw/zinc/09/07/44/509090744.db2.gz YOAPAGLEKNSSDV-GPANFISMSA-N 1 0 361.515 2.560 20 70 FFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000161297288 509097921 /nfs/dbraw/zinc/09/79/21/509097921.db2.gz FBCSNQYYMZNPDJ-COXVUDFISA-N 1 0 363.889 2.538 20 70 FFIDRO C[C@H](CC(=O)NCCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000161305284 509100032 /nfs/dbraw/zinc/10/00/32/509100032.db2.gz WNDKUBJQLSAPKS-CVEARBPZSA-N 1 0 358.461 2.696 20 70 FFIDRO Cc1conc1NC(=O)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000161304573 509100121 /nfs/dbraw/zinc/10/01/21/509100121.db2.gz YQLDPYHUEGLYEZ-OAHLLOKOSA-N 1 0 370.453 2.701 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)C2CCC(CO)CC2)CC1 ZINC000161312787 509100800 /nfs/dbraw/zinc/10/08/00/509100800.db2.gz GKQFAININCFTHG-VXESANQCSA-N 1 0 374.529 2.800 20 70 FFIDRO COc1ccc(Br)cc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000161335910 509103784 /nfs/dbraw/zinc/10/37/84/509103784.db2.gz XZFUXTDSQAWSJA-NSHDSACASA-N 1 0 353.260 2.672 20 70 FFIDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1I ZINC000161339220 509103843 /nfs/dbraw/zinc/10/38/43/509103843.db2.gz HBDHFKQMBLCNRX-VXGBXAGGSA-N 1 0 358.223 2.599 20 70 FFIDRO COC(=O)CCSCc1cccc(NC(=O)[C@H]2CCn3ccnc3C2)c1 ZINC000161401088 509111577 /nfs/dbraw/zinc/11/15/77/509111577.db2.gz CAOPNVCCKMPVMB-HNNXBMFYSA-N 1 0 373.478 2.881 20 70 FFIDRO COc1ccc(CC[NH2+]C2CCC(NC(C)=O)CC2)cc1OC(F)F ZINC000161399197 509111632 /nfs/dbraw/zinc/11/16/32/509111632.db2.gz JFTABYJHOPWGBX-UHFFFAOYSA-N 1 0 356.413 2.876 20 70 FFIDRO Cc1c(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)nnn1C1CC[NH2+]CC1 ZINC000161484992 509120260 /nfs/dbraw/zinc/12/02/60/509120260.db2.gz NOKDUPWIJSOVHI-YJYMSZOUSA-N 1 0 371.460 2.873 20 70 FFIDRO Cc1c(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)nnn1C1CC[NH2+]CC1 ZINC000161484869 509120638 /nfs/dbraw/zinc/12/06/38/509120638.db2.gz NOKDUPWIJSOVHI-DJJJIMSYSA-N 1 0 371.460 2.873 20 70 FFIDRO CC[C@@H](NC(=O)Nc1ccc(CCN2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000161489941 509121467 /nfs/dbraw/zinc/12/14/67/509121467.db2.gz ROAHGZYCQYYYQD-MOPGFXCFSA-N 1 0 361.486 2.640 20 70 FFIDRO CCCCO[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000216803963 509264486 /nfs/dbraw/zinc/26/44/86/509264486.db2.gz HICAXOGBCCHJKD-DOTOQJQBSA-N 1 0 361.486 2.528 20 70 FFIDRO COc1cc(Br)ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000217723705 509271880 /nfs/dbraw/zinc/27/18/80/509271880.db2.gz YXQQVCMZNZWDPF-OLZOCXBDSA-N 1 0 353.260 2.766 20 70 FFIDRO CC1(C)Cc2cc(C[N@@H+]3CCCC[C@H]3CCNS(C)(=O)=O)ccc2O1 ZINC000159405796 508837428 /nfs/dbraw/zinc/83/74/28/508837428.db2.gz VROBKKVBAZDHPR-KRWDZBQOSA-N 1 0 366.527 2.694 20 70 FFIDRO C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159411759 508838611 /nfs/dbraw/zinc/83/86/11/508838611.db2.gz YVZLUQKMVWHVIR-MAUKXSAKSA-N 1 0 368.481 2.817 20 70 FFIDRO Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)CC[NH3+])C3)cc1 ZINC000159488017 508848651 /nfs/dbraw/zinc/84/86/51/508848651.db2.gz CEOPYLZVVIGKDB-UHFFFAOYSA-N 1 0 352.438 2.873 20 70 FFIDRO CSCC[C@H]([NH3+])C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000159510886 508851444 /nfs/dbraw/zinc/85/14/44/508851444.db2.gz AIPLGMWPEWYGLZ-JKSUJKDBSA-N 1 0 356.919 2.692 20 70 FFIDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1nccn1CCc1ccccc1 ZINC000159511489 508851606 /nfs/dbraw/zinc/85/16/06/508851606.db2.gz VUMNQSTUMYRXBE-UHFFFAOYSA-N 1 0 357.502 2.607 20 70 FFIDRO CSCC[C@@H]([NH3+])C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000159511333 508851672 /nfs/dbraw/zinc/85/16/72/508851672.db2.gz AIPLGMWPEWYGLZ-CVEARBPZSA-N 1 0 356.919 2.692 20 70 FFIDRO C[C@@H](NC(=O)NCCc1nnc(-c2ccccc2)o1)C(C)(C)C[NH+](C)C ZINC000159533984 508854597 /nfs/dbraw/zinc/85/45/97/508854597.db2.gz GSUDIWVHYFBKGZ-CQSZACIVSA-N 1 0 359.474 2.555 20 70 FFIDRO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000159584663 508862123 /nfs/dbraw/zinc/86/21/23/508862123.db2.gz YOXRKLMXVQYMAM-OAHLLOKOSA-N 1 0 352.866 2.504 20 70 FFIDRO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159610188 508865545 /nfs/dbraw/zinc/86/55/45/508865545.db2.gz BTFPYUMNSQQNPK-YDHLFZDLSA-N 1 0 368.499 2.653 20 70 FFIDRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000159628635 508867710 /nfs/dbraw/zinc/86/77/10/508867710.db2.gz LVYYWXRUVBKBPR-DYVFJYSZSA-N 1 0 352.425 2.860 20 70 FFIDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](C)Oc2cccc(CO)c2)c1 ZINC000159635822 508869560 /nfs/dbraw/zinc/86/95/60/508869560.db2.gz IIVUSILKBRBYSP-SFHVURJKSA-N 1 0 370.493 2.845 20 70 FFIDRO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159672735 508874410 /nfs/dbraw/zinc/87/44/10/508874410.db2.gz BFBPSEHTPISAOR-HOCLYGCPSA-N 1 0 369.303 2.500 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(OCc3ccccn3)cc2)CC1 ZINC000159706851 508878056 /nfs/dbraw/zinc/87/80/56/508878056.db2.gz WMJLWQTZBPNEPF-UHFFFAOYSA-N 1 0 368.481 2.898 20 70 FFIDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnc(-n2cccn2)c1 ZINC000159706840 508878371 /nfs/dbraw/zinc/87/83/71/508878371.db2.gz WTZSACJBAGTFSU-LJQANCHMSA-N 1 0 361.449 2.662 20 70 FFIDRO C[N@@H+](Cc1cc2c(cc1Br)OCCO2)C[C@@H]1CCC[C@@H]1O ZINC000159754009 508885585 /nfs/dbraw/zinc/88/55/85/508885585.db2.gz HAQDBGGIQQQTMR-FZMZJTMJSA-N 1 0 356.260 2.813 20 70 FFIDRO CCc1nc(-c2ccc(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cc2)n[nH]1 ZINC000159765968 508887336 /nfs/dbraw/zinc/88/73/36/508887336.db2.gz RNSSQWDGILTSJU-SJORKVTESA-N 1 0 353.470 2.590 20 70 FFIDRO COc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](C)C2)[NH+](C)C)cc1OC ZINC000159802448 508892835 /nfs/dbraw/zinc/89/28/35/508892835.db2.gz WZKCJLKHEGECNW-UXLLHSPISA-N 1 0 363.502 2.994 20 70 FFIDRO O=C1NC2(CCCC2)C(=O)N1CCN[C@@H](c1nccs1)c1ccccc1 ZINC000159826662 508896799 /nfs/dbraw/zinc/89/67/99/508896799.db2.gz AUMZFDSAUKKPFR-OAHLLOKOSA-N 1 0 370.478 2.687 20 70 FFIDRO COC(=O)[C@@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccnc1 ZINC000159904095 508908887 /nfs/dbraw/zinc/90/88/87/508908887.db2.gz YDPHBLSERBKRKO-KXBFYZLASA-N 1 0 354.454 2.506 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000159906831 508909355 /nfs/dbraw/zinc/90/93/55/508909355.db2.gz PAHWYVOJWVWSSY-CVEARBPZSA-N 1 0 353.507 2.670 20 70 FFIDRO COc1cccc([C@@H](O)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000159934727 508913272 /nfs/dbraw/zinc/91/32/72/508913272.db2.gz IYRYJQJTJMUIRA-OAQYLSRUSA-N 1 0 368.477 2.818 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCc3ccccc32)cc1 ZINC000159936720 508914169 /nfs/dbraw/zinc/91/41/69/508914169.db2.gz XQESCMGYIPTPQK-CVEARBPZSA-N 1 0 373.522 2.697 20 70 FFIDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2-c2ccccc2)CC1 ZINC000159977073 508920086 /nfs/dbraw/zinc/92/00/86/508920086.db2.gz WHIPOIUFDKNJOG-UHFFFAOYSA-N 1 0 366.465 2.676 20 70 FFIDRO O=C(NCCc1nnc(-c2ccccc2)o1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159988094 508920388 /nfs/dbraw/zinc/92/03/88/508920388.db2.gz ZIBHTCRROKMAHV-QGZVFWFLSA-N 1 0 369.469 2.549 20 70 FFIDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000160002341 508923495 /nfs/dbraw/zinc/92/34/95/508923495.db2.gz WFRAQJLZDVJQAC-MJGOQNOKSA-N 1 0 365.543 2.702 20 70 FFIDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159999667 508923610 /nfs/dbraw/zinc/92/36/10/508923610.db2.gz VRDVQQCAYVAGSG-MEDUHNTESA-N 1 0 357.472 2.849 20 70 FFIDRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160009221 508925261 /nfs/dbraw/zinc/92/52/61/508925261.db2.gz QJOLVXVPQQWBPF-RHSMWYFYSA-N 1 0 372.431 2.847 20 70 FFIDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000160017866 508925738 /nfs/dbraw/zinc/92/57/38/508925738.db2.gz CGVKZBFMQQIKOT-FUHWJXTLSA-N 1 0 359.495 2.755 20 70 FFIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1cccc(Br)c1 ZINC000160017663 508925909 /nfs/dbraw/zinc/92/59/09/508925909.db2.gz KRXFGPCQIPIJJE-ZENOOKHLSA-N 1 0 353.260 2.920 20 70 FFIDRO C[NH+](C)CCN(C(=O)NCCc1nnc(-c2ccccc2)o1)C1CCCC1 ZINC000160022443 508926759 /nfs/dbraw/zinc/92/67/59/508926759.db2.gz TUBMRBIZAQRRFR-UHFFFAOYSA-N 1 0 371.485 2.795 20 70 FFIDRO O=C(NCc1ccc(O)c(F)c1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160019841 508926882 /nfs/dbraw/zinc/92/68/82/508926882.db2.gz CBUWKDAANDXHEI-QGZVFWFLSA-N 1 0 357.429 2.995 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000160043168 508929788 /nfs/dbraw/zinc/92/97/88/508929788.db2.gz KOQCZRZBOAUDGS-MRXNPFEDSA-N 1 0 364.490 2.501 20 70 FFIDRO CC(C)CC[C@H]1CCC(=O)N(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000160122148 508941256 /nfs/dbraw/zinc/94/12/56/508941256.db2.gz RYDGDGJOROILPH-AZUAARDMSA-N 1 0 372.509 2.607 20 70 FFIDRO O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000160127451 508942923 /nfs/dbraw/zinc/94/29/23/508942923.db2.gz SSPFZZNZWCKJRA-ZDUSSCGKSA-N 1 0 367.852 2.656 20 70 FFIDRO Cc1c(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cnn1C ZINC000160146480 508945470 /nfs/dbraw/zinc/94/54/70/508945470.db2.gz UVXCMXMLKSUPDO-MRXNPFEDSA-N 1 0 369.513 2.960 20 70 FFIDRO O=C(Cc1cc(F)c(F)cc1F)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160152762 508946018 /nfs/dbraw/zinc/94/60/18/508946018.db2.gz TUFWQWYUSAUEPX-MSOLQXFVSA-N 1 0 370.415 2.531 20 70 FFIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000160157286 508946735 /nfs/dbraw/zinc/94/67/35/508946735.db2.gz RFRRWPJTEBJLNH-SMDDNHRTSA-N 1 0 354.907 2.994 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1Cl ZINC000160183815 508950766 /nfs/dbraw/zinc/95/07/66/508950766.db2.gz OYXGKPOQIIBBTR-IAGOWNOFSA-N 1 0 354.853 2.977 20 70 FFIDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@](C)(O)C3)cc2)C1 ZINC000160204744 508954578 /nfs/dbraw/zinc/95/45/78/508954578.db2.gz OKEIHKMOGTUIQL-DYESRHJHSA-N 1 0 359.514 2.975 20 70 FFIDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(-n2cncn2)cc1 ZINC000160236132 508958434 /nfs/dbraw/zinc/95/84/34/508958434.db2.gz BBUFULLOCYBVAR-UHFFFAOYSA-N 1 0 367.428 2.545 20 70 FFIDRO COc1ccc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)nn1 ZINC000160239353 508959408 /nfs/dbraw/zinc/95/94/08/508959408.db2.gz PZLKXFIWMLNEHL-HNNXBMFYSA-N 1 0 354.454 2.879 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000160271529 508963195 /nfs/dbraw/zinc/96/31/95/508963195.db2.gz ABPKQBOIGJZYDG-PWRODBHTSA-N 1 0 352.478 2.906 20 70 FFIDRO C[C@H]1CCC[N@H+](CCNC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000160275942 508964351 /nfs/dbraw/zinc/96/43/51/508964351.db2.gz TYKLWLAIIOSSMO-ZDUSSCGKSA-N 1 0 371.323 2.661 20 70 FFIDRO CC1CC[NH+](CCCCNC(=O)CCNC(=O)C2CCCCC2)CC1 ZINC000160278151 508964399 /nfs/dbraw/zinc/96/43/99/508964399.db2.gz FDERUWBNMDERKX-UHFFFAOYSA-N 1 0 351.535 2.701 20 70 FFIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000160293528 508966338 /nfs/dbraw/zinc/96/63/38/508966338.db2.gz MNTZIMMILVAYHS-SMDDNHRTSA-N 1 0 354.907 2.994 20 70 FFIDRO CCCC[N@H+](C)CCNC(=O)Cc1cc(OC)ccc1Br ZINC000160319737 508969915 /nfs/dbraw/zinc/96/99/15/508969915.db2.gz BWUUIWKSTDMCLJ-UHFFFAOYSA-N 1 0 357.292 2.848 20 70 FFIDRO CN(C[C@H]1CCC[C@@H]1O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000160318123 508969933 /nfs/dbraw/zinc/96/99/33/508969933.db2.gz OPUZJNDDEFTLCL-AEFFLSMTSA-N 1 0 365.543 2.763 20 70 FFIDRO O=C(C[C@H](c1ccccc1)C(F)(F)F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160324619 508970763 /nfs/dbraw/zinc/97/07/63/508970763.db2.gz SMJOQOKJWULQFL-JKSUJKDBSA-N 1 0 358.404 2.686 20 70 FFIDRO COc1cccc(CCC[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000160349298 508974371 /nfs/dbraw/zinc/97/43/71/508974371.db2.gz ZTTGNYDYIKGFBY-OAHLLOKOSA-N 1 0 362.495 2.968 20 70 FFIDRO COc1cccc(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160348104 508974456 /nfs/dbraw/zinc/97/44/56/508974456.db2.gz JMOKNOAULXZGOL-VQTJNVASSA-N 1 0 360.498 2.512 20 70 FFIDRO Cc1ccc(OCCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000160404578 508982029 /nfs/dbraw/zinc/98/20/29/508982029.db2.gz PBGUMERIGLUFJT-MRXNPFEDSA-N 1 0 368.905 2.770 20 70 FFIDRO FC(F)(F)CN1CCC([NH2+]Cc2ccccc2CN2CCOCC2)CC1 ZINC000160433170 508986101 /nfs/dbraw/zinc/98/61/01/508986101.db2.gz QEJMISBOOQFIPB-UHFFFAOYSA-N 1 0 371.447 2.635 20 70 FFIDRO CCn1nnnc1-c1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000160458414 508989639 /nfs/dbraw/zinc/98/96/39/508989639.db2.gz WNHAIGSWZXQNOV-UHFFFAOYSA-N 1 0 371.489 2.602 20 70 FFIDRO O=C(/C=C/c1c(F)cccc1F)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160474921 508992118 /nfs/dbraw/zinc/99/21/18/508992118.db2.gz DRGDADRCMTZXOL-TYFAACHXSA-N 1 0 364.436 2.862 20 70 FFIDRO CC(C)(C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000160514857 508997369 /nfs/dbraw/zinc/99/73/69/508997369.db2.gz VAGMHOAWNFJOKW-SJORKVTESA-N 1 0 358.507 2.777 20 70 FFIDRO Cc1ccc(OCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1C ZINC000160541465 509000719 /nfs/dbraw/zinc/00/07/19/509000719.db2.gz VFJFZSQHYJAEBN-RTWAWAEBSA-N 1 0 374.525 2.956 20 70 FFIDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160603712 509009287 /nfs/dbraw/zinc/00/92/87/509009287.db2.gz VDPWTFFBQWTYDZ-MOPGFXCFSA-N 1 0 363.477 2.857 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000160692625 509021219 /nfs/dbraw/zinc/02/12/19/509021219.db2.gz RJOSXFACCZDFQH-INIZCTEOSA-N 1 0 359.514 2.606 20 70 FFIDRO Cc1ccc2c(c1)[C@@H](NC(=O)NCC1([NH+]3CCOCC3)CCCCC1)CO2 ZINC000160699100 509022131 /nfs/dbraw/zinc/02/21/31/509022131.db2.gz ZZQFSSZIZWBZLK-SFHVURJKSA-N 1 0 373.497 2.763 20 70 FFIDRO CC[NH+]1CCN(CCC(=O)NCCCOc2ccc3ccccc3c2)CC1 ZINC000160736706 509026857 /nfs/dbraw/zinc/02/68/57/509026857.db2.gz MKSKHMAOTSZEFA-UHFFFAOYSA-N 1 0 369.509 2.753 20 70 FFIDRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000160745105 509027654 /nfs/dbraw/zinc/02/76/54/509027654.db2.gz VJBQSLXCJQZAHT-OAHLLOKOSA-N 1 0 361.463 2.625 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)nc2)CC1 ZINC000160788785 509033142 /nfs/dbraw/zinc/03/31/42/509033142.db2.gz SDVHHTSFKMCBTC-CVEARBPZSA-N 1 0 372.419 2.854 20 70 FFIDRO Cc1c(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cnn1C ZINC000160798533 509034184 /nfs/dbraw/zinc/03/41/84/509034184.db2.gz GWLYLYYPBAVEOK-UHFFFAOYSA-N 1 0 361.515 2.501 20 70 FFIDRO Cc1ccc(OCCCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000160951178 509052600 /nfs/dbraw/zinc/05/26/00/509052600.db2.gz YUOJBFKFAJGIBZ-IBGZPJMESA-N 1 0 360.498 2.643 20 70 FFIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)CC(C)(C)CN1CCOCC1 ZINC000160991605 509057125 /nfs/dbraw/zinc/05/71/25/509057125.db2.gz ZYJBHUBDWCHXGF-UHFFFAOYSA-N 1 0 367.578 2.561 20 70 FFIDRO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161039573 509063949 /nfs/dbraw/zinc/06/39/49/509063949.db2.gz ALFLDGCGPMGZAO-HSALFYBXSA-N 1 0 354.450 2.877 20 70 FFIDRO COc1ccc(NC(=O)[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc2)cc1 ZINC000161205220 509085976 /nfs/dbraw/zinc/08/59/76/509085976.db2.gz ICBUQPJORIUZDA-XLIONFOSSA-N 1 0 367.449 2.585 20 70 FFIDRO C[N@H+](CCC1CCOCC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000161222014 509088259 /nfs/dbraw/zinc/08/82/59/509088259.db2.gz BWLWWXNULBACES-HNNXBMFYSA-N 1 0 355.276 2.724 20 70 FFIDRO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161233249 509089630 /nfs/dbraw/zinc/08/96/30/509089630.db2.gz FPTJUALGSDHSOD-NVXWUHKLSA-N 1 0 361.404 2.678 20 70 FFIDRO CSCC[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1nnc2ccccn21 ZINC000161239839 509090690 /nfs/dbraw/zinc/09/06/90/509090690.db2.gz FZMGAWQSSBXGEX-HNNXBMFYSA-N 1 0 362.499 2.799 20 70 FFIDRO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000161295174 509098102 /nfs/dbraw/zinc/09/81/02/509098102.db2.gz NNLGKEFYNJAATL-DLBZAZTESA-N 1 0 351.535 2.652 20 70 FFIDRO COCC1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000161302789 509100084 /nfs/dbraw/zinc/10/00/84/509100084.db2.gz TVIAWBKTLUIKRG-MRXNPFEDSA-N 1 0 360.502 2.675 20 70 FFIDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)C1 ZINC000161313555 509100382 /nfs/dbraw/zinc/10/03/82/509100382.db2.gz FLTOWSFDDKQPIK-HNNXBMFYSA-N 1 0 371.481 2.801 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C[C@H]2CCOC2)C2CC2)CC1 ZINC000161308490 509100901 /nfs/dbraw/zinc/10/09/01/509100901.db2.gz BWGVORIMVZOLHM-DLBZAZTESA-N 1 0 372.513 2.818 20 70 FFIDRO CC(C)[NH+]1CCN(c2cccc(Nc3ncnc4c3cnn4C)c2)CC1 ZINC000161310638 509100975 /nfs/dbraw/zinc/10/09/75/509100975.db2.gz SGGPKQPNAKBCEY-UHFFFAOYSA-N 1 0 351.458 2.637 20 70 FFIDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)C1 ZINC000161390354 509110710 /nfs/dbraw/zinc/11/07/10/509110710.db2.gz LYCPBIVAURGZAW-HNNXBMFYSA-N 1 0 371.481 2.801 20 70 FFIDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000161436342 509115791 /nfs/dbraw/zinc/11/57/91/509115791.db2.gz ZDEZTEZEVUYJDN-AWEZNQCLSA-N 1 0 353.426 2.573 20 70 FFIDRO C[C@@H]1CCC[C@H]([NH2+]CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1C ZINC000217095393 509265942 /nfs/dbraw/zinc/26/59/42/509265942.db2.gz LAOQINNDFXIAIB-RKVPGOIHSA-N 1 0 354.516 2.730 20 70 FFIDRO C[C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1C ZINC000217095353 509266952 /nfs/dbraw/zinc/26/69/52/509266952.db2.gz LAOQINNDFXIAIB-IIDMSEBBSA-N 1 0 354.516 2.730 20 70 FFIDRO CSCc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000159402200 508837758 /nfs/dbraw/zinc/83/77/58/508837758.db2.gz FRALFEDVBJEFCO-INIZCTEOSA-N 1 0 363.527 2.582 20 70 FFIDRO C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)CC(C)(CO)CO ZINC000159554883 508858438 /nfs/dbraw/zinc/85/84/38/508858438.db2.gz FGWOOSPXNRCZHN-UHFFFAOYSA-N 1 0 364.873 2.737 20 70 FFIDRO O=C(c1cccc2ncccc21)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159570637 508860357 /nfs/dbraw/zinc/86/03/57/508860357.db2.gz OBSMUPYIDVEWNE-KRWDZBQOSA-N 1 0 353.466 2.952 20 70 FFIDRO CC[C@H](C(=O)Nc1ncc(Cc2cccc(C(=O)OC)c2)s1)[NH+](C)C ZINC000159605989 508864586 /nfs/dbraw/zinc/86/45/86/508864586.db2.gz PIOFPKHRKWOHTJ-OAHLLOKOSA-N 1 0 361.467 2.799 20 70 FFIDRO CC[C@@H](C(=O)Nc1ncc(Cc2cccc(C(=O)OC)c2)s1)[NH+](C)C ZINC000159605880 508864614 /nfs/dbraw/zinc/86/46/14/508864614.db2.gz PIOFPKHRKWOHTJ-HNNXBMFYSA-N 1 0 361.467 2.799 20 70 FFIDRO C[C@H](Oc1ccccc1Br)C(=O)NCC1([NH3+])CCCCC1 ZINC000159637332 508869504 /nfs/dbraw/zinc/86/95/04/508869504.db2.gz SABQSNKPAYTVRC-LBPRGKRZSA-N 1 0 355.276 2.994 20 70 FFIDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccccc1OC(F)F)C(=O)OC ZINC000159658555 508872986 /nfs/dbraw/zinc/87/29/86/508872986.db2.gz MQDJVPZZDPGPKI-UHFFFAOYSA-N 1 0 358.385 2.796 20 70 FFIDRO CC1CCN(c2cccc(NC(=O)N3CC[NH+](CC(C)(C)O)CC3)c2)CC1 ZINC000159719549 508879857 /nfs/dbraw/zinc/87/98/57/508879857.db2.gz XRJJCZRTKBQVOF-UHFFFAOYSA-N 1 0 374.529 2.843 20 70 FFIDRO CC1CCN(c2ccc(C(=O)N3CCC([NH2+]CC4CC4)CC3)cn2)CC1 ZINC000159784381 508890277 /nfs/dbraw/zinc/89/02/77/508890277.db2.gz SOMPULAFPNOHEI-UHFFFAOYSA-N 1 0 356.514 2.922 20 70 FFIDRO O=C1NC2(CCCC2)C(=O)N1CCN[C@H](c1nccs1)c1ccccc1 ZINC000159826560 508897031 /nfs/dbraw/zinc/89/70/31/508897031.db2.gz AUMZFDSAUKKPFR-HNNXBMFYSA-N 1 0 370.478 2.687 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(C2CCOCC2)c1C)c1ccco1 ZINC000159836471 508898782 /nfs/dbraw/zinc/89/87/82/508898782.db2.gz YRQFCGPVGBTKIY-SFHVURJKSA-N 1 0 374.485 2.949 20 70 FFIDRO O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000159853859 508900887 /nfs/dbraw/zinc/90/08/87/508900887.db2.gz NSZYSFPHXDTKAM-INIZCTEOSA-N 1 0 364.511 2.872 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000159862069 508902606 /nfs/dbraw/zinc/90/26/06/508902606.db2.gz QVRHOQIUMVACIN-ZDUSSCGKSA-N 1 0 353.438 2.641 20 70 FFIDRO COc1ccc(Br)c(CC(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000159917570 508910742 /nfs/dbraw/zinc/91/07/42/508910742.db2.gz WGBPCDQSVDMPMG-LLVKDONJSA-N 1 0 355.276 2.599 20 70 FFIDRO O=C(NCCC[NH2+]C1CCCCC1)NCCc1nnc(-c2ccccc2)o1 ZINC000159961538 508917404 /nfs/dbraw/zinc/91/74/04/508917404.db2.gz HTAJRLYUCAQXOB-UHFFFAOYSA-N 1 0 371.485 2.891 20 70 FFIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccccc1OC(F)F ZINC000159978509 508920067 /nfs/dbraw/zinc/92/00/67/508920067.db2.gz HBWBFQPQBMGVEW-UHFFFAOYSA-N 1 0 356.413 2.718 20 70 FFIDRO COc1cc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)ccc1S(C)(=O)=O ZINC000159993843 508921664 /nfs/dbraw/zinc/92/16/64/508921664.db2.gz YBNFKCHPPAHSJA-YVEFUNNKSA-N 1 0 369.508 2.719 20 70 FFIDRO C[C@@H](Sc1ccccc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160024170 508927250 /nfs/dbraw/zinc/92/72/50/508927250.db2.gz NBFWPRFBPLSQDC-ZIAGYGMSSA-N 1 0 356.919 2.784 20 70 FFIDRO Cc1nn(C)cc1C[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000160091614 508937537 /nfs/dbraw/zinc/93/75/37/508937537.db2.gz IWZJEIKBILCLJF-UHFFFAOYSA-N 1 0 353.392 2.901 20 70 FFIDRO CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160140669 508944447 /nfs/dbraw/zinc/94/44/47/508944447.db2.gz NHMIVZABWDZQCO-HNNXBMFYSA-N 1 0 354.878 2.704 20 70 FFIDRO O=C(Cc1cc(F)c(F)cc1F)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160152927 508945947 /nfs/dbraw/zinc/94/59/47/508945947.db2.gz TUFWQWYUSAUEPX-ROUUACIJSA-N 1 0 370.415 2.531 20 70 FFIDRO COc1ccc(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160173472 508950017 /nfs/dbraw/zinc/95/00/17/508950017.db2.gz SHHCUXHUQQDJFE-WOJBJXKFSA-N 1 0 360.498 2.512 20 70 FFIDRO COC(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000160198020 508952780 /nfs/dbraw/zinc/95/27/80/508952780.db2.gz NQCMTSJWDGNLBA-FUHWJXTLSA-N 1 0 373.497 2.807 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(OC(F)F)c1 ZINC000160211943 508955067 /nfs/dbraw/zinc/95/50/67/508955067.db2.gz JXBPBIGSQYXKEW-IRXDYDNUSA-N 1 0 368.424 2.786 20 70 FFIDRO C[C@H](NC(=O)c1cnc(C(F)(F)F)nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000160219772 508956134 /nfs/dbraw/zinc/95/61/34/508956134.db2.gz CIRLDQVTKZORQI-NWDGAFQWSA-N 1 0 356.392 2.878 20 70 FFIDRO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000160224558 508957006 /nfs/dbraw/zinc/95/70/06/508957006.db2.gz IJTVJKMTCAUWBL-PXNSSMCTSA-N 1 0 370.449 2.753 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000160251563 508960954 /nfs/dbraw/zinc/96/09/54/508960954.db2.gz GRVGXWYRASUVPE-MRXNPFEDSA-N 1 0 360.502 2.751 20 70 FFIDRO CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)NCCCC[NH+]1CCOCC1 ZINC000160261904 508961476 /nfs/dbraw/zinc/96/14/76/508961476.db2.gz UPUXUSMVIGNQEJ-RTBURBONSA-N 1 0 369.550 2.772 20 70 FFIDRO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000160275821 508963880 /nfs/dbraw/zinc/96/38/80/508963880.db2.gz TYKLWLAIIOSSMO-CYBMUJFWSA-N 1 0 371.323 2.661 20 70 FFIDRO COCC[NH+]1CCC(NC(=O)CCn2ccc3cc(Cl)ccc32)CC1 ZINC000160299267 508966382 /nfs/dbraw/zinc/96/63/82/508966382.db2.gz IPNBMVZUZAFAND-UHFFFAOYSA-N 1 0 363.889 2.912 20 70 FFIDRO CN(C[C@H]1CCC[C@H]1O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000160318361 508970135 /nfs/dbraw/zinc/97/01/35/508970135.db2.gz OPUZJNDDEFTLCL-SJLPKXTDSA-N 1 0 365.543 2.763 20 70 FFIDRO O=C(C[C@@H](c1ccccc1)C(F)(F)F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160324948 508970801 /nfs/dbraw/zinc/97/08/01/508970801.db2.gz SMJOQOKJWULQFL-CVEARBPZSA-N 1 0 358.404 2.686 20 70 FFIDRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)n2)n1 ZINC000160352347 508975219 /nfs/dbraw/zinc/97/52/19/508975219.db2.gz DTESXPINCDZNDG-OKILXGFUSA-N 1 0 359.861 2.504 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)c1csc([C@H]2CCCO2)n1)Cc1ccccc1 ZINC000160362996 508976008 /nfs/dbraw/zinc/97/60/08/508976008.db2.gz ZUYGFHQCIBRGKM-NVXWUHKLSA-N 1 0 359.495 2.897 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CNC(=O)NC(C)C)cc1 ZINC000160387268 508979208 /nfs/dbraw/zinc/97/92/08/508979208.db2.gz XEWYKQDJWHKDAQ-LJQANCHMSA-N 1 0 374.529 2.744 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(C2CC2)nc2ccccc21 ZINC000160400755 508981739 /nfs/dbraw/zinc/98/17/39/508981739.db2.gz XXQQMCSDNWKNNO-MRXNPFEDSA-N 1 0 353.466 2.689 20 70 FFIDRO COc1ccc2cc([C@H](C)C(=O)NC[C@H](O)C[NH+]3CCCCC3)ccc2c1 ZINC000160430787 508985886 /nfs/dbraw/zinc/98/58/86/508985886.db2.gz CDKLPLOOAPLPKI-JXFKEZNVSA-N 1 0 370.493 2.915 20 70 FFIDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000160444356 508987723 /nfs/dbraw/zinc/98/77/23/508987723.db2.gz ZOJIEBFUCQLUQM-CYBMUJFWSA-N 1 0 373.419 2.788 20 70 FFIDRO CCCCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160487805 508993790 /nfs/dbraw/zinc/99/37/90/508993790.db2.gz DSWWJABYUIXWMH-XYPWUTKMSA-N 1 0 353.507 2.765 20 70 FFIDRO O=C(Nc1cccc(OCC(F)F)n1)N1CCC([NH+]2CC=CC2)CC1 ZINC000160529109 508998929 /nfs/dbraw/zinc/99/89/29/508998929.db2.gz QFTUOFBKDOXKFX-UHFFFAOYSA-N 1 0 352.385 2.594 20 70 FFIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000160533360 508999719 /nfs/dbraw/zinc/99/97/19/508999719.db2.gz XMSOQKMATQELDS-RYUDHWBXSA-N 1 0 373.419 2.915 20 70 FFIDRO O=C(COc1ccc(Br)cc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160541017 509000625 /nfs/dbraw/zinc/00/06/25/509000625.db2.gz MSERJEXZKYJHRY-TXEJJXNPSA-N 1 0 373.678 2.834 20 70 FFIDRO COc1cccc(C(C)(C)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000160552874 509001890 /nfs/dbraw/zinc/00/18/90/509001890.db2.gz WFDIWVDMMIEWLK-UHFFFAOYSA-N 1 0 359.474 2.553 20 70 FFIDRO OCCn1nccc1C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000160563007 509003854 /nfs/dbraw/zinc/00/38/54/509003854.db2.gz REAXQZWFLUYYKQ-UHFFFAOYSA-N 1 0 354.429 2.942 20 70 FFIDRO COc1cccc(COCCNC(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000160569163 509004394 /nfs/dbraw/zinc/00/43/94/509004394.db2.gz BCQOIQLSVMUXFU-UHFFFAOYSA-N 1 0 363.502 2.585 20 70 FFIDRO COc1cccc(CCC[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000160576696 509004917 /nfs/dbraw/zinc/00/49/17/509004917.db2.gz JEOAFQQLWDTYOL-SFHVURJKSA-N 1 0 373.541 2.693 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)CCSc2ncnc3sc(C)c(C)c32)C1 ZINC000160616945 509010767 /nfs/dbraw/zinc/01/07/67/509010767.db2.gz DANAXRRAWXPOKY-GFCCVEGCSA-N 1 0 350.513 2.611 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1C(=O)c1cccs1 ZINC000160620963 509011607 /nfs/dbraw/zinc/01/16/07/509011607.db2.gz ZRYKVAUZGCQLFK-HNNXBMFYSA-N 1 0 372.490 2.556 20 70 FFIDRO COc1ccc(Cl)cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160651435 509014772 /nfs/dbraw/zinc/01/47/72/509014772.db2.gz PVDIDUHPMZENNN-IAGOWNOFSA-N 1 0 366.889 2.846 20 70 FFIDRO Cc1nc(COc2cccc(C(=O)NCC[N@@H+](C)C3CCCCC3)c2)no1 ZINC000160656755 509015376 /nfs/dbraw/zinc/01/53/76/509015376.db2.gz JWMFXEYDTJGMIK-UHFFFAOYSA-N 1 0 372.469 2.951 20 70 FFIDRO Cc1cccc(-n2cc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)nn2)c1 ZINC000160661900 509015985 /nfs/dbraw/zinc/01/59/85/509015985.db2.gz IOQBXXIBGKRZNX-IBGZPJMESA-N 1 0 367.428 2.748 20 70 FFIDRO Cc1cccc(OCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160689832 509021369 /nfs/dbraw/zinc/02/13/69/509021369.db2.gz OPCZLHUMYDUDSO-WOJBJXKFSA-N 1 0 360.498 2.648 20 70 FFIDRO CCCn1c(C)nnc1CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000160695408 509022159 /nfs/dbraw/zinc/02/21/59/509022159.db2.gz CFQIUGMUDPNYFN-UHFFFAOYSA-N 1 0 356.518 2.530 20 70 FFIDRO C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccc2c(c1)NC(=O)CO2 ZINC000160750807 509028372 /nfs/dbraw/zinc/02/83/72/509028372.db2.gz DNNTZWMPWKFRAQ-AWEZNQCLSA-N 1 0 374.485 2.594 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)c1ccccc1 ZINC000160768601 509030679 /nfs/dbraw/zinc/03/06/79/509030679.db2.gz OMTMHQDKHSARBR-ZDUSSCGKSA-N 1 0 355.364 2.870 20 70 FFIDRO Cn1c2cccc(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)c2oc1=O ZINC000160810006 509035470 /nfs/dbraw/zinc/03/54/70/509035470.db2.gz OCVXHMSMRCRIOV-UHFFFAOYSA-N 1 0 371.481 2.860 20 70 FFIDRO Cc1c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C1CCOCC1 ZINC000160857523 509040839 /nfs/dbraw/zinc/04/08/39/509040839.db2.gz YDAKEWDMPUEIGA-OWCLPIDISA-N 1 0 362.518 2.639 20 70 FFIDRO C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)N(C)Cc1ccccc1 ZINC000160885879 509043765 /nfs/dbraw/zinc/04/37/65/509043765.db2.gz SFBHRDBNNAOSEI-SJORKVTESA-N 1 0 350.470 2.833 20 70 FFIDRO COCCCOc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000160905896 509046421 /nfs/dbraw/zinc/04/64/21/509046421.db2.gz HQJUYAHBBUWWIT-QZTJIDSGSA-N 1 0 363.502 2.774 20 70 FFIDRO CCC[NH+]1CCC(NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000160924837 509049177 /nfs/dbraw/zinc/04/91/77/509049177.db2.gz ZJHBVKRYLXMMHC-ROUUACIJSA-N 1 0 373.541 2.900 20 70 FFIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)N3CCC[C@H](C)C3)CC2)CC1 ZINC000160952253 509052475 /nfs/dbraw/zinc/05/24/75/509052475.db2.gz WFTXNXWXYGSUOC-AOCRQIFASA-N 1 0 357.564 2.596 20 70 FFIDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(F)cc1Cl ZINC000160973670 509055604 /nfs/dbraw/zinc/05/56/04/509055604.db2.gz NCCIISGCUODAET-LLVKDONJSA-N 1 0 363.820 2.545 20 70 FFIDRO COCCOc1cccc(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000160991718 509057396 /nfs/dbraw/zinc/05/73/96/509057396.db2.gz OLQFVNVDSOOVIW-KRWDZBQOSA-N 1 0 362.495 2.735 20 70 FFIDRO O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000161007985 509059613 /nfs/dbraw/zinc/05/96/13/509059613.db2.gz RNVHUNJZLIXKHT-SFHVURJKSA-N 1 0 372.490 2.740 20 70 FFIDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1)C[NH+]1CCCCC1 ZINC000161019260 509060756 /nfs/dbraw/zinc/06/07/56/509060756.db2.gz NRAFGPTXXQOPCT-CABCVRRESA-N 1 0 361.490 2.659 20 70 FFIDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCn2ccnc2C1 ZINC000161025049 509061386 /nfs/dbraw/zinc/06/13/86/509061386.db2.gz OOFXLQFYWRONGY-KRWDZBQOSA-N 1 0 370.522 2.676 20 70 FFIDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc(C)c1F ZINC000161037410 509063112 /nfs/dbraw/zinc/06/31/12/509063112.db2.gz RZNPYOCPWZFXKL-CQSZACIVSA-N 1 0 357.429 2.508 20 70 FFIDRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161139861 509076698 /nfs/dbraw/zinc/07/66/98/509076698.db2.gz CZWXAGLZZNWYJU-ULQDDVLXSA-N 1 0 363.527 2.779 20 70 FFIDRO C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000161151657 509077402 /nfs/dbraw/zinc/07/74/02/509077402.db2.gz JYJLCFGJSJUWJC-CZUORRHYSA-N 1 0 355.885 2.900 20 70 FFIDRO CSc1cc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)ccc1F ZINC000161144585 509077578 /nfs/dbraw/zinc/07/75/78/509077578.db2.gz PJJVNMFWHLFXNW-UHFFFAOYSA-N 1 0 365.518 2.836 20 70 FFIDRO COCCC[NH+]1CCC(NC(=O)CCCOc2ccc3c(c2)CCC3)CC1 ZINC000161179459 509081496 /nfs/dbraw/zinc/08/14/96/509081496.db2.gz DZSMBAHORCNIPS-UHFFFAOYSA-N 1 0 374.525 2.951 20 70 FFIDRO C[C@@H](O)C[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000161182224 509081827 /nfs/dbraw/zinc/08/18/27/509081827.db2.gz QMBCHNOFWZXMHL-BXXUTWAOSA-N 1 0 361.530 2.961 20 70 FFIDRO Cc1c(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000161231769 509090081 /nfs/dbraw/zinc/09/00/81/509090081.db2.gz RXDUJJFWEQGJLU-DNVCBOLYSA-N 1 0 367.497 2.777 20 70 FFIDRO CCc1ccc([C@H](NC(=O)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000161273888 509094776 /nfs/dbraw/zinc/09/47/76/509094776.db2.gz MJOQTJBZYOEJKK-FQEVSTJZSA-N 1 0 374.506 2.597 20 70 FFIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000161302589 509100062 /nfs/dbraw/zinc/10/00/62/509100062.db2.gz MYRXWQNCDNOENR-XJKSGUPXSA-N 1 0 369.303 2.780 20 70 FFIDRO CCC[C@@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCN1CCOC ZINC000161327737 509103139 /nfs/dbraw/zinc/10/31/39/509103139.db2.gz ZVVFPXDANIIAJB-LJQANCHMSA-N 1 0 367.578 2.704 20 70 FFIDRO CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000161331347 509103160 /nfs/dbraw/zinc/10/31/60/509103160.db2.gz OUQLJCSEMJMSTG-SFHVURJKSA-N 1 0 367.449 2.838 20 70 FFIDRO C[C@@]1(O)CCCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000161338398 509103440 /nfs/dbraw/zinc/10/34/40/509103440.db2.gz QRLLGYGABZPBNB-CRAIPNDOSA-N 1 0 351.516 2.517 20 70 FFIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)C[C@@H](C)C3CC[NH2+]CC3)ccc2NC1=O ZINC000161380189 509109232 /nfs/dbraw/zinc/10/92/32/509109232.db2.gz MGPNWRWPBKRSFB-GLJUWKHASA-N 1 0 373.497 2.999 20 70 FFIDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000161394496 509110612 /nfs/dbraw/zinc/11/06/12/509110612.db2.gz IJYHIYSGWSDUSZ-HNNXBMFYSA-N 1 0 364.449 2.898 20 70 FFIDRO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000161403860 509112463 /nfs/dbraw/zinc/11/24/63/509112463.db2.gz GQLIRTFWJBEYJK-KSZLIROESA-N 1 0 351.535 2.508 20 70 FFIDRO O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161430985 509114834 /nfs/dbraw/zinc/11/48/34/509114834.db2.gz SOLOMBSCXRVPBU-UKRRQHHQSA-N 1 0 367.795 2.715 20 70 FFIDRO CC[C@@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000161441514 509115218 /nfs/dbraw/zinc/11/52/18/509115218.db2.gz CFRLDUKFLADJJO-GOSISDBHSA-N 1 0 359.445 2.971 20 70 FFIDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(SC)ccc3Cl)C2)CC1 ZINC000216971607 509266717 /nfs/dbraw/zinc/26/67/17/509266717.db2.gz LSFCKTDJUOEFPS-AWEZNQCLSA-N 1 0 367.946 2.914 20 70 FFIDRO O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159450555 508844022 /nfs/dbraw/zinc/84/40/22/508844022.db2.gz BSJDOOJKLLVXIH-STQMWFEESA-N 1 0 370.419 2.620 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000159455681 508844333 /nfs/dbraw/zinc/84/43/33/508844333.db2.gz GRJBWDAZMIXZQD-GOSISDBHSA-N 1 0 361.486 2.855 20 70 FFIDRO C[C@@H](CCO)NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000159518985 508852233 /nfs/dbraw/zinc/85/22/33/508852233.db2.gz LSXYLOXRVRWQBI-SFHVURJKSA-N 1 0 361.530 2.791 20 70 FFIDRO C[C@H](NC(=O)NCCc1nnc(-c2ccccc2)o1)C(C)(C)C[NH+](C)C ZINC000159533844 508854803 /nfs/dbraw/zinc/85/48/03/508854803.db2.gz GSUDIWVHYFBKGZ-AWEZNQCLSA-N 1 0 359.474 2.555 20 70 FFIDRO C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000159545631 508856350 /nfs/dbraw/zinc/85/63/50/508856350.db2.gz XLTOFCBQYHVQSH-RDJZCZTQSA-N 1 0 361.486 2.710 20 70 FFIDRO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)C[C@H]1CCC[C@@H]1O ZINC000159566661 508859499 /nfs/dbraw/zinc/85/94/99/508859499.db2.gz UTVAVHAMJNPZST-PVAVHDDUSA-N 1 0 371.437 2.643 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Nc3cnn(C)c3)c2)C1 ZINC000159567232 508859815 /nfs/dbraw/zinc/85/98/15/508859815.db2.gz FKBPFTVIFWVYNS-INIZCTEOSA-N 1 0 355.486 2.871 20 70 FFIDRO CCOC[C@@H](C)[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000159616840 508866349 /nfs/dbraw/zinc/86/63/49/508866349.db2.gz NBLUUXMBPKIIQV-GFCCVEGCSA-N 1 0 373.291 2.592 20 70 FFIDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@H](C)C(=O)NC1CC1 ZINC000159629828 508868722 /nfs/dbraw/zinc/86/87/22/508868722.db2.gz GCIVGRBQOKIFQU-GFCCVEGCSA-N 1 0 355.276 2.817 20 70 FFIDRO CCS(=O)(=O)c1ccc(F)c(C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000159667933 508873916 /nfs/dbraw/zinc/87/39/16/508873916.db2.gz KEPVUKNGPVLAID-UHFFFAOYSA-N 1 0 370.490 2.662 20 70 FFIDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000159683502 508875333 /nfs/dbraw/zinc/87/53/33/508875333.db2.gz OLNJRCMSEHSBSH-PMACEKPBSA-N 1 0 371.525 2.953 20 70 FFIDRO Cn1nccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159761007 508886512 /nfs/dbraw/zinc/88/65/12/508886512.db2.gz SCEBLSCWOFELKY-QUCCMNQESA-N 1 0 367.497 2.616 20 70 FFIDRO CC(C)[N@H+](Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)C1CCCCC1 ZINC000159771011 508888910 /nfs/dbraw/zinc/88/89/10/508888910.db2.gz AIILGCDHLUZJPR-SFHVURJKSA-N 1 0 353.532 2.960 20 70 FFIDRO Cc1csc(-c2cccc(C(=O)NCCCC[NH+]3CCN(C)CC3)c2)n1 ZINC000159779160 508889713 /nfs/dbraw/zinc/88/97/13/508889713.db2.gz LXLWVNMZYVQTAA-UHFFFAOYSA-N 1 0 372.538 2.876 20 70 FFIDRO CCc1noc(-c2ccc(CCNC(=O)N3CCC[N@@H+](CC)CC3)cc2)n1 ZINC000159813260 508894566 /nfs/dbraw/zinc/89/45/66/508894566.db2.gz ODNKXRZGKMIDMY-UHFFFAOYSA-N 1 0 371.485 2.579 20 70 FFIDRO C[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@H+](C)C1CC1 ZINC000159864613 508902465 /nfs/dbraw/zinc/90/24/65/508902465.db2.gz GBIIEJWRRVNKIN-KRWDZBQOSA-N 1 0 350.551 2.767 20 70 FFIDRO O=C1CCCN1C1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000159872786 508904396 /nfs/dbraw/zinc/90/43/96/508904396.db2.gz TZVBTRJEMYIMSH-QGZVFWFLSA-N 1 0 370.415 2.696 20 70 FFIDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)N1CCc2sccc2C1 ZINC000159876586 508904817 /nfs/dbraw/zinc/90/48/17/508904817.db2.gz VZHQLXOEHYYMGK-GJZGRUSLSA-N 1 0 368.510 2.821 20 70 FFIDRO O=C(CSCCN1CCOCC1)N1CCC(Cc2ccccc2)CC1 ZINC000159877093 508905227 /nfs/dbraw/zinc/90/52/27/508905227.db2.gz KHJZSFSIVULQLY-UHFFFAOYSA-N 1 0 362.539 2.533 20 70 FFIDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2nnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000159888031 508906477 /nfs/dbraw/zinc/90/64/77/508906477.db2.gz VPEACBJPBPZKEI-NVXWUHKLSA-N 1 0 371.485 2.651 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)NC[C@H](O)c2ccsc2)C[N@@H+]1Cc1ccccc1 ZINC000159918901 508911569 /nfs/dbraw/zinc/91/15/69/508911569.db2.gz VTRKJBGGRZGLRC-JLSDUUJJSA-N 1 0 359.495 2.744 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000159930473 508913383 /nfs/dbraw/zinc/91/33/83/508913383.db2.gz AIVRZDMEGLWLMW-ZDUSSCGKSA-N 1 0 361.421 2.674 20 70 FFIDRO CCCCOc1ccc(CNC(=O)[C@H]2CCn3ccnc3C2)cc1OC ZINC000159942158 508914844 /nfs/dbraw/zinc/91/48/44/508914844.db2.gz IDHDSKUAAYABBL-INIZCTEOSA-N 1 0 357.454 2.949 20 70 FFIDRO CCCN(C(=O)C[C@H]1COC(=O)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159947581 508915817 /nfs/dbraw/zinc/91/58/17/508915817.db2.gz RWTJEPYRUWHNMN-RTBURBONSA-N 1 0 358.482 2.843 20 70 FFIDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cccnc1-c1ccccc1)C(C)C ZINC000159966344 508918306 /nfs/dbraw/zinc/91/83/06/508918306.db2.gz IHJLRGLJLJAHGP-UHFFFAOYSA-N 1 0 368.481 2.922 20 70 FFIDRO O=C(NCCc1nnc(-c2ccccc2)o1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159987956 508920376 /nfs/dbraw/zinc/92/03/76/508920376.db2.gz ZIBHTCRROKMAHV-KRWDZBQOSA-N 1 0 369.469 2.549 20 70 FFIDRO COc1cc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)ccc1S(C)(=O)=O ZINC000159993926 508921389 /nfs/dbraw/zinc/92/13/89/508921389.db2.gz YBNFKCHPPAHSJA-SJKOYZFVSA-N 1 0 369.508 2.719 20 70 FFIDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000159992702 508921409 /nfs/dbraw/zinc/92/14/09/508921409.db2.gz MKLFBYJIEPDFIO-WBMJQRKESA-N 1 0 354.497 2.678 20 70 FFIDRO C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)[NH+]1CCC(C)CC1 ZINC000159994525 508922465 /nfs/dbraw/zinc/92/24/65/508922465.db2.gz RESDELIKPAVMJD-HNNXBMFYSA-N 1 0 360.502 2.691 20 70 FFIDRO COc1cc(CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1O ZINC000160010292 508925110 /nfs/dbraw/zinc/92/51/10/508925110.db2.gz XZRWWAWGFJAUCC-KRWDZBQOSA-N 1 0 361.486 2.603 20 70 FFIDRO C[C@H](CNC(=O)C1(c2cccs2)CCCCC1)C[NH+]1CCN(C)CC1 ZINC000160107347 508939786 /nfs/dbraw/zinc/93/97/86/508939786.db2.gz DTWKUGGWOJABIR-QGZVFWFLSA-N 1 0 363.571 2.950 20 70 FFIDRO CC(C)[C@H](CNC(=O)N[C@@H](C)c1cccc(F)c1F)[NH+]1CCN(C)CC1 ZINC000160134457 508943504 /nfs/dbraw/zinc/94/35/04/508943504.db2.gz RJSHRZPMXJRWBW-YOEHRIQHSA-N 1 0 368.472 2.597 20 70 FFIDRO Cc1conc1NC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000160146484 508945089 /nfs/dbraw/zinc/94/50/89/508945089.db2.gz LCYBEULLZUOWNY-OAHLLOKOSA-N 1 0 370.453 2.612 20 70 FFIDRO CC[C@@H](c1ccncc1)N(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160146084 508945230 /nfs/dbraw/zinc/94/52/30/508945230.db2.gz IQNWFEJJSPHZIZ-PMACEKPBSA-N 1 0 354.498 2.884 20 70 FFIDRO CNC(=O)c1ccc(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000160211336 508955317 /nfs/dbraw/zinc/95/53/17/508955317.db2.gz TYNBQARAFZJEPE-KXBFYZLASA-N 1 0 366.465 2.831 20 70 FFIDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000160219951 508955956 /nfs/dbraw/zinc/95/59/56/508955956.db2.gz BSNFLNKFVKJQKW-UHFFFAOYSA-N 1 0 367.449 2.772 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)N(C)CCc2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000160223351 508956961 /nfs/dbraw/zinc/95/69/61/508956961.db2.gz RUKRDVFQRLJCDG-YLJYHZDGSA-N 1 0 352.482 2.929 20 70 FFIDRO C[C@@H](CC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1F ZINC000160248428 508959730 /nfs/dbraw/zinc/95/97/30/508959730.db2.gz QLJCEMKLKWFXOQ-AWEZNQCLSA-N 1 0 352.425 2.782 20 70 FFIDRO O=C(Cc1cccc(Cl)c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160249877 508960250 /nfs/dbraw/zinc/96/02/50/508960250.db2.gz BASIFBUDQDXJFV-MSOLQXFVSA-N 1 0 350.890 2.767 20 70 FFIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cc(OC)ccc1Br ZINC000160253050 508960819 /nfs/dbraw/zinc/96/08/19/508960819.db2.gz WQHXMNJYZQFXSV-AWEZNQCLSA-N 1 0 369.303 2.991 20 70 FFIDRO C[C@H](O)C[C@@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000160274131 508963499 /nfs/dbraw/zinc/96/34/99/508963499.db2.gz SOPMFQICIVYMDQ-ICSRJNTNSA-N 1 0 374.525 2.692 20 70 FFIDRO CC(C)[C@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000160317423 508969350 /nfs/dbraw/zinc/96/93/50/508969350.db2.gz HDHDQOOQJWDEGO-SFHVURJKSA-N 1 0 355.486 2.958 20 70 FFIDRO Cc1ccc(NC(=O)c2cc(N3CCNC3=O)ccc2F)c(C[NH+](C)C)c1 ZINC000160324664 508971035 /nfs/dbraw/zinc/97/10/35/508971035.db2.gz LZOJEHVPIFZRTN-UHFFFAOYSA-N 1 0 370.428 2.978 20 70 FFIDRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCC2(CCC2)C1 ZINC000160355091 508975078 /nfs/dbraw/zinc/97/50/78/508975078.db2.gz VCIJGZRGUXBLPS-UHFFFAOYSA-N 1 0 370.541 2.780 20 70 FFIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000160361029 508976087 /nfs/dbraw/zinc/97/60/87/508976087.db2.gz HGDJISLYZYUFKJ-IAGOWNOFSA-N 1 0 374.520 2.727 20 70 FFIDRO COc1cc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1OC(F)F ZINC000160379547 508978325 /nfs/dbraw/zinc/97/83/25/508978325.db2.gz RZHJOKSESVSAKF-GWCFXTLKSA-N 1 0 352.385 2.862 20 70 FFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cnn(-c3ccc(F)cc3)c1C)CC2 ZINC000160397684 508980831 /nfs/dbraw/zinc/98/08/31/508980831.db2.gz DBZJUNZAIWRZIF-WBMJQRKESA-N 1 0 354.433 2.885 20 70 FFIDRO O=C(Cn1ccc2ccccc21)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160404584 508982018 /nfs/dbraw/zinc/98/20/18/508982018.db2.gz HEBKCSXOICMGIA-VQTJNVASSA-N 1 0 355.482 2.525 20 70 FFIDRO COc1ccc([C@H](NC(=O)C[C@H]2C[NH2+]CCO2)c2ccccc2Cl)cc1 ZINC000160419766 508984638 /nfs/dbraw/zinc/98/46/38/508984638.db2.gz UUQRYGKOFXGWOB-JXFKEZNVSA-N 1 0 374.868 2.933 20 70 FFIDRO COc1ccccc1[C@@H]1CCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000160423851 508985127 /nfs/dbraw/zinc/98/51/27/508985127.db2.gz AKABAKZJMKJIRA-INIZCTEOSA-N 1 0 357.454 2.697 20 70 FFIDRO Cc1nc2n(n1)C[C@H]([NH2+]C1CCN(Cc3ccc(Cl)cc3)CC1)CC2 ZINC000160456883 508989934 /nfs/dbraw/zinc/98/99/34/508989934.db2.gz YZVFSTOSBXSRRF-GOSISDBHSA-N 1 0 359.905 2.809 20 70 FFIDRO O=C(/C=C/c1c(F)cccc1F)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160475045 508992165 /nfs/dbraw/zinc/99/21/65/508992165.db2.gz DRGDADRCMTZXOL-WARJXXDVSA-N 1 0 364.436 2.862 20 70 FFIDRO Cc1noc(C)c1[C@H](C)CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160475379 508992282 /nfs/dbraw/zinc/99/22/82/508992282.db2.gz VGHROVGWHBCHPR-XWIAVFTESA-N 1 0 363.502 2.669 20 70 FFIDRO Cc1ccc(C(=O)CC[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000160498135 508995491 /nfs/dbraw/zinc/99/54/91/508995491.db2.gz FAZWQLIXZHHPBR-HNNXBMFYSA-N 1 0 360.479 2.908 20 70 FFIDRO Cc1cc(OCCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1Cl ZINC000160552325 509002186 /nfs/dbraw/zinc/00/21/86/509002186.db2.gz ZVTIHJRMKLIFOF-MRXNPFEDSA-N 1 0 368.905 2.770 20 70 FFIDRO Cc1cc(C)c(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(C)c1 ZINC000160574696 509004512 /nfs/dbraw/zinc/00/45/12/509004512.db2.gz CIEKXKUWXRGTJE-UXHICEINSA-N 1 0 352.478 2.977 20 70 FFIDRO O=C(NCC1CC[NH+](CCO)CC1)C(c1ccccc1)c1ccccc1 ZINC000160630568 509012104 /nfs/dbraw/zinc/01/21/04/509012104.db2.gz XXGIZKNBKKBLDH-UHFFFAOYSA-N 1 0 352.478 2.639 20 70 FFIDRO Cc1c2cc(F)ccc2sc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160647270 509013710 /nfs/dbraw/zinc/01/37/10/509013710.db2.gz NUCQBDJFIBMKHB-UHFFFAOYSA-N 1 0 350.459 2.783 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc2ccccc2n1 ZINC000160661364 509015995 /nfs/dbraw/zinc/01/59/95/509015995.db2.gz PTWWSFQFRCNVNW-VQTJNVASSA-N 1 0 353.466 2.733 20 70 FFIDRO O=C(Nc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000160675835 509018717 /nfs/dbraw/zinc/01/87/17/509018717.db2.gz GZLYRDVHIJQAJQ-OKILXGFUSA-N 1 0 355.463 2.967 20 70 FFIDRO C[NH+](C)Cc1cc(CNC(=O)Nc2ccn(CC(F)(F)F)n2)ccc1F ZINC000160889210 509044460 /nfs/dbraw/zinc/04/44/60/509044460.db2.gz CFXCSYLSRWZGAQ-UHFFFAOYSA-N 1 0 373.354 2.968 20 70 FFIDRO Cc1cc(C)nc(N2CC[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)n1 ZINC000160887907 509044473 /nfs/dbraw/zinc/04/44/73/509044473.db2.gz QPANDGKJFLYFSD-UHFFFAOYSA-N 1 0 373.545 2.500 20 70 FFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000160903836 509045862 /nfs/dbraw/zinc/04/58/62/509045862.db2.gz HRRDIOPITCHVSG-KFWWJZLASA-N 1 0 365.440 2.594 20 70 FFIDRO Cc1nc(CC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000160911505 509047594 /nfs/dbraw/zinc/04/75/94/509047594.db2.gz AKPVTMUMLZVJTB-OKILXGFUSA-N 1 0 365.543 2.650 20 70 FFIDRO CC(C)NC(=O)CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000160917415 509048000 /nfs/dbraw/zinc/04/80/00/509048000.db2.gz AUBQXEIHGDYTQS-QGZVFWFLSA-N 1 0 366.550 2.587 20 70 FFIDRO [NH3+]CCCCCCC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000160930384 509049453 /nfs/dbraw/zinc/04/94/53/509049453.db2.gz RHNSKCXTONDFBD-OAHLLOKOSA-N 1 0 351.878 2.861 20 70 FFIDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(-c3nc[nH]n3)c2)cc1 ZINC000160999197 509058902 /nfs/dbraw/zinc/05/89/02/509058902.db2.gz QLMPLCPXLKFGNA-UHFFFAOYSA-N 1 0 351.410 2.664 20 70 FFIDRO COc1cc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1S(C)(=O)=O ZINC000161069722 509067231 /nfs/dbraw/zinc/06/72/31/509067231.db2.gz OZSZQELTTUPSJD-BPUTZDHNSA-N 1 0 354.516 2.622 20 70 FFIDRO CC[NH+]1CCN(Cc2ccc(NC3CCC(NC(C)=O)CC3)cc2)CC1 ZINC000161090321 509069428 /nfs/dbraw/zinc/06/94/28/509069428.db2.gz NXMZHUDTVLKBDH-UHFFFAOYSA-N 1 0 358.530 2.683 20 70 FFIDRO COc1cc(OC)c(NC(=O)N2CCC[N@H+](C)CC2)cc1Br ZINC000161118019 509073803 /nfs/dbraw/zinc/07/38/03/509073803.db2.gz CIPASBLMFFGVLM-UHFFFAOYSA-N 1 0 372.263 2.636 20 70 FFIDRO CN(CC1CCCC1)C(=O)C[C@@]1(C(=O)N(C)CC2CCCC2)CC[NH2+]C1 ZINC000161201370 509084888 /nfs/dbraw/zinc/08/48/88/509084888.db2.gz UHGWTEWGRFKEJW-NRFANRHFSA-N 1 0 363.546 2.653 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000161232047 509089952 /nfs/dbraw/zinc/08/99/52/509089952.db2.gz WBBQKUCINJOWKN-CQSZACIVSA-N 1 0 369.387 2.656 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000161259323 509093125 /nfs/dbraw/zinc/09/31/25/509093125.db2.gz JYNWUPKJBUFUBH-LJQANCHMSA-N 1 0 351.450 2.787 20 70 FFIDRO CS[C@H](C)CC(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000161262819 509093891 /nfs/dbraw/zinc/09/38/91/509093891.db2.gz PCXOLUIORTVIQL-MRXNPFEDSA-N 1 0 371.591 2.602 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000161294661 509097939 /nfs/dbraw/zinc/09/79/39/509097939.db2.gz VFKPTTKYIQIQDB-UHFFFAOYSA-N 1 0 368.481 2.740 20 70 FFIDRO COc1cccc(-c2nc(C)c(C(=O)NC3CC[NH+](C4CC4)CC3)[nH]2)c1 ZINC000161294286 509098113 /nfs/dbraw/zinc/09/81/13/509098113.db2.gz NVFQMICEPGPHMV-UHFFFAOYSA-N 1 0 354.454 2.750 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C[C@@H]2CCOC2)C2CC2)CC1 ZINC000161308373 509099733 /nfs/dbraw/zinc/09/97/33/509099733.db2.gz BWGVORIMVZOLHM-SJORKVTESA-N 1 0 372.513 2.818 20 70 FFIDRO CCN(C[C@@H]1CCCO1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161304670 509099882 /nfs/dbraw/zinc/09/98/82/509099882.db2.gz QDWHLVUAYMJTHW-LPHOPBHVSA-N 1 0 360.502 2.818 20 70 FFIDRO CC(=O)NC1CCC([NH2+]CCOc2cccc(Br)c2)CC1 ZINC000161342286 509104661 /nfs/dbraw/zinc/10/46/61/509104661.db2.gz WDWCPILKJAUEOX-UHFFFAOYSA-N 1 0 355.276 2.865 20 70 FFIDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000161347755 509105326 /nfs/dbraw/zinc/10/53/26/509105326.db2.gz BLSJZSABSGGLRM-YOEHRIQHSA-N 1 0 365.433 2.762 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000161347619 509105588 /nfs/dbraw/zinc/10/55/88/509105588.db2.gz BLSJZSABSGGLRM-PBHICJAKSA-N 1 0 365.433 2.762 20 70 FFIDRO CC(=O)CCc1ccc(OCCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161466905 509118673 /nfs/dbraw/zinc/11/86/73/509118673.db2.gz DJUXAOSKJGTWIC-DFNIBXOVSA-N 1 0 358.482 2.719 20 70 FFIDRO CC(C)NC(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000161495756 509122168 /nfs/dbraw/zinc/12/21/68/509122168.db2.gz UJHDNLHRIFIPMN-HXUWFJFHSA-N 1 0 367.493 2.728 20 70 FFIDRO COc1cc([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)ccc1S(C)(=O)=O ZINC000159380328 508834135 /nfs/dbraw/zinc/83/41/35/508834135.db2.gz IXYIZPSMFVAXSX-RDTXWAMCSA-N 1 0 357.516 2.937 20 70 FFIDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)nn1-c1ccc(F)cc1F ZINC000159380012 508834475 /nfs/dbraw/zinc/83/44/75/508834475.db2.gz WUJZDGXCNAWPJL-CYBMUJFWSA-N 1 0 362.424 2.921 20 70 FFIDRO CC1(C)Cc2cccc(C[N@@H+]3CCCC[C@H]3CCNS(C)(=O)=O)c2O1 ZINC000159404853 508837614 /nfs/dbraw/zinc/83/76/14/508837614.db2.gz DMWYMIRQGHECLP-KRWDZBQOSA-N 1 0 366.527 2.694 20 70 FFIDRO CSCc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000159402063 508837778 /nfs/dbraw/zinc/83/77/78/508837778.db2.gz FRALFEDVBJEFCO-MRXNPFEDSA-N 1 0 363.527 2.582 20 70 FFIDRO NC(=O)[C@H]1CCCN1C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000159419027 508840120 /nfs/dbraw/zinc/84/01/20/508840120.db2.gz RWRJQGRYKBOELL-HXUWFJFHSA-N 1 0 367.493 2.633 20 70 FFIDRO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000159432526 508841495 /nfs/dbraw/zinc/84/14/95/508841495.db2.gz OFHNPYZHXOHVMK-UGSOOPFHSA-N 1 0 357.433 2.565 20 70 FFIDRO CCOc1ccc(-c2noc(CCC(=O)NCC3([NH3+])CCCCC3)n2)cc1 ZINC000159493238 508849460 /nfs/dbraw/zinc/84/94/60/508849460.db2.gz WLNRXESBKGJURS-UHFFFAOYSA-N 1 0 372.469 2.846 20 70 FFIDRO CCCC[NH+]1CCC(NC(=O)CCN2c3ccccc3CCC2=O)CC1 ZINC000159626853 508867608 /nfs/dbraw/zinc/86/76/08/508867608.db2.gz XVNOALRLIUDSOD-UHFFFAOYSA-N 1 0 357.498 2.737 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000159690716 508875681 /nfs/dbraw/zinc/87/56/81/508875681.db2.gz LLERXOOSGPFYST-OAHLLOKOSA-N 1 0 373.501 2.769 20 70 FFIDRO COCCC[N@H+](C)CCNC(=O)c1cc(C(C)C)n(-c2ccccc2)n1 ZINC000159712870 508879274 /nfs/dbraw/zinc/87/92/74/508879274.db2.gz DYGLVTKRKUFBFP-UHFFFAOYSA-N 1 0 358.486 2.694 20 70 FFIDRO Cc1c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cnn1C1CCOCC1 ZINC000159785355 508890085 /nfs/dbraw/zinc/89/00/85/508890085.db2.gz WRLMIZLVENVQFQ-HXUWFJFHSA-N 1 0 370.497 2.884 20 70 FFIDRO CCCCn1ncc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1C ZINC000159789522 508891023 /nfs/dbraw/zinc/89/10/23/508891023.db2.gz DLZSLDUJCYSCRA-MRXNPFEDSA-N 1 0 351.495 2.566 20 70 FFIDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(Br)c1)CC2 ZINC000159794458 508892182 /nfs/dbraw/zinc/89/21/82/508892182.db2.gz QWOJSRVAUNJCMK-RISCZKNCSA-N 1 0 365.275 2.853 20 70 FFIDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159805783 508893937 /nfs/dbraw/zinc/89/39/37/508893937.db2.gz LXKXNHWGNFEMJA-WMZOPIPTSA-N 1 0 356.470 2.520 20 70 FFIDRO CC(C)[N@H+](CCC(=O)NC(=O)NCc1ccccc1)CCc1nccs1 ZINC000159809806 508894580 /nfs/dbraw/zinc/89/45/80/508894580.db2.gz SJFSZSNONXYEQY-UHFFFAOYSA-N 1 0 374.510 2.812 20 70 FFIDRO COc1ccccc1CCNC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159816563 508895503 /nfs/dbraw/zinc/89/55/03/508895503.db2.gz ZPLDUFXVMICUGY-UHFFFAOYSA-N 1 0 361.511 2.764 20 70 FFIDRO C[C@@H](CCNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)[N@H+](C)Cc1ccccc1 ZINC000159820488 508896223 /nfs/dbraw/zinc/89/62/23/508896223.db2.gz UDGLHFLNKNJNSS-HNNXBMFYSA-N 1 0 366.465 2.507 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)c1ccccc1 ZINC000159841755 508899148 /nfs/dbraw/zinc/89/91/48/508899148.db2.gz HUMNLVKYFVWMAG-GOSISDBHSA-N 1 0 368.481 2.874 20 70 FFIDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C)cc1 ZINC000159850289 508899968 /nfs/dbraw/zinc/89/99/68/508899968.db2.gz FQJHPMUZEFYWOB-CVEARBPZSA-N 1 0 358.486 2.675 20 70 FFIDRO O=C([C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159864248 508902596 /nfs/dbraw/zinc/90/25/96/508902596.db2.gz YLLPVILKUZQESK-MSOLQXFVSA-N 1 0 356.466 2.552 20 70 FFIDRO C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)N1CCc2sccc2C1 ZINC000159876735 508904929 /nfs/dbraw/zinc/90/49/29/508904929.db2.gz VZHQLXOEHYYMGK-CABCVRRESA-N 1 0 368.510 2.821 20 70 FFIDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000159904134 508908906 /nfs/dbraw/zinc/90/89/06/508908906.db2.gz JOXYRFGVZFHPSZ-MRXNPFEDSA-N 1 0 373.419 2.593 20 70 FFIDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC(=O)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000159913486 508909838 /nfs/dbraw/zinc/90/98/38/508909838.db2.gz SBRATCOWGMSLSW-OPOADAIRSA-N 1 0 372.509 2.917 20 70 FFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CCc1ccncc1 ZINC000159983338 508920707 /nfs/dbraw/zinc/92/07/07/508920707.db2.gz VEWNXRANKUJWDU-PXNSSMCTSA-N 1 0 352.482 2.786 20 70 FFIDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160008841 508925201 /nfs/dbraw/zinc/92/52/01/508925201.db2.gz QJOLVXVPQQWBPF-YOEHRIQHSA-N 1 0 372.431 2.847 20 70 FFIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160125185 508942053 /nfs/dbraw/zinc/94/20/53/508942053.db2.gz XZMKJONYIWSVPS-ZDUSSCGKSA-N 1 0 369.282 2.895 20 70 FFIDRO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1c(F)cccc1F)Cc1ccccc1 ZINC000160129680 508943070 /nfs/dbraw/zinc/94/30/70/508943070.db2.gz RZMYUHZAXAGALR-OAHLLOKOSA-N 1 0 368.449 2.557 20 70 FFIDRO CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000160151919 508946238 /nfs/dbraw/zinc/94/62/38/508946238.db2.gz DJDDLMDIBRKXIB-AWEZNQCLSA-N 1 0 374.428 2.606 20 70 FFIDRO CS[C@@H](C)CC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000160179983 508950591 /nfs/dbraw/zinc/95/05/91/508950591.db2.gz MDZCMFPLVJFKDR-SFHVURJKSA-N 1 0 363.571 2.842 20 70 FFIDRO CC(=O)Nc1ccccc1C[NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000160237972 508958360 /nfs/dbraw/zinc/95/83/60/508958360.db2.gz NGAAFSPVWDIMID-IBGZPJMESA-N 1 0 357.454 2.710 20 70 FFIDRO C[C@H](CC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1F ZINC000160248559 508959909 /nfs/dbraw/zinc/95/99/09/508959909.db2.gz QLJCEMKLKWFXOQ-CQSZACIVSA-N 1 0 352.425 2.782 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(-c2ccccc2)on1 ZINC000160254416 508960583 /nfs/dbraw/zinc/96/05/83/508960583.db2.gz KAERWYWJQVVLBY-OALUTQOASA-N 1 0 369.465 2.839 20 70 FFIDRO COc1ccc(C2(C(=O)NC[C@H](O)C[NH+]3CCCCC3)CCCCC2)cc1 ZINC000160297399 508966389 /nfs/dbraw/zinc/96/63/89/508966389.db2.gz ABYDGMKDMRUTCN-IBGZPJMESA-N 1 0 374.525 2.860 20 70 FFIDRO C[C@H](OC1CCCCCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160300480 508967130 /nfs/dbraw/zinc/96/71/30/508967130.db2.gz HIJOTFUBPAQYJR-DBVUQKKJSA-N 1 0 366.546 2.998 20 70 FFIDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])cnn1-c1cccc(C(F)(F)F)c1 ZINC000160316949 508969281 /nfs/dbraw/zinc/96/92/81/508969281.db2.gz YTIPHNITOARLHZ-CQSZACIVSA-N 1 0 352.360 2.763 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(OC2CCCCC2)c1 ZINC000160345058 508973473 /nfs/dbraw/zinc/97/34/73/508973473.db2.gz CIDIMEMFRAWGFU-GOSISDBHSA-N 1 0 360.498 2.975 20 70 FFIDRO CCc1ccc([C@H](CNC(=O)CCC(=O)NC2CCCC2)[NH+](C)C)cc1 ZINC000160377428 508978822 /nfs/dbraw/zinc/97/88/22/508978822.db2.gz AQBIIUGADZSLMA-IBGZPJMESA-N 1 0 359.514 2.807 20 70 FFIDRO Cc1ccc(NCCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)nc1 ZINC000160399323 508982241 /nfs/dbraw/zinc/98/22/41/508982241.db2.gz FRSRXWGSFGQWON-UHFFFAOYSA-N 1 0 361.534 2.955 20 70 FFIDRO Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160414880 508983744 /nfs/dbraw/zinc/98/37/44/508983744.db2.gz MGYZECWJWLARQB-INIZCTEOSA-N 1 0 361.534 2.606 20 70 FFIDRO CC(C)Cn1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000160445945 508988478 /nfs/dbraw/zinc/98/84/78/508988478.db2.gz UYJVMJJNNPPXPX-KRWDZBQOSA-N 1 0 357.498 2.874 20 70 FFIDRO Cc1cc(NC(=O)c2cccn2C2CC[NH2+]CC2)ccc1C(=O)N(C)C ZINC000160517771 508998160 /nfs/dbraw/zinc/99/81/60/508998160.db2.gz QCPZKSANICGSCT-UHFFFAOYSA-N 1 0 354.454 2.675 20 70 FFIDRO Cc1cc2ccccc2n1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160532230 508999743 /nfs/dbraw/zinc/99/97/43/508999743.db2.gz MAZGVRTTYUAZRQ-NHCUHLMSSA-N 1 0 369.509 2.834 20 70 FFIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCOCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000160541343 509000639 /nfs/dbraw/zinc/00/06/39/509000639.db2.gz BTFGKZCLEKCCAK-AEFFLSMTSA-N 1 0 365.905 2.982 20 70 FFIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000160538412 509000654 /nfs/dbraw/zinc/00/06/54/509000654.db2.gz XJXJYJKKXRIVET-UHFFFAOYSA-N 1 0 355.504 2.676 20 70 FFIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000160591084 509007018 /nfs/dbraw/zinc/00/70/18/509007018.db2.gz XOTHXNNYNGMASL-CABCVRRESA-N 1 0 369.531 2.632 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000160594762 509007939 /nfs/dbraw/zinc/00/79/39/509007939.db2.gz NGBLPQZYVKTIOF-FPOVZHCZSA-N 1 0 368.477 2.770 20 70 FFIDRO COc1cc(C[N@H+](C)Cc2ccc(C)cc2)cc(OC)c1OCC(N)=O ZINC000160638718 509012808 /nfs/dbraw/zinc/01/28/08/509012808.db2.gz QAKPWLQIUOFKEL-UHFFFAOYSA-N 1 0 358.438 2.508 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160658013 509016012 /nfs/dbraw/zinc/01/60/12/509016012.db2.gz JOHDCGCLQSGYRV-BBWFWOEESA-N 1 0 370.415 2.772 20 70 FFIDRO CCCOc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160672465 509017479 /nfs/dbraw/zinc/01/74/79/509017479.db2.gz DAAZGNLXCYYRFV-PMACEKPBSA-N 1 0 360.498 2.973 20 70 FFIDRO CC(C)NC(=O)c1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000160670186 509017514 /nfs/dbraw/zinc/01/75/14/509017514.db2.gz RUVDIQPUHBBEBH-IRXDYDNUSA-N 1 0 359.514 2.923 20 70 FFIDRO COc1cc(CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)ccc1O ZINC000160689576 509021139 /nfs/dbraw/zinc/02/11/39/509021139.db2.gz OAFYARVUXHAHTR-MRXNPFEDSA-N 1 0 359.470 2.559 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000160700587 509021690 /nfs/dbraw/zinc/02/16/90/509021690.db2.gz IWZRVICXAHFCGL-CYBMUJFWSA-N 1 0 372.469 2.730 20 70 FFIDRO CC[C@@H](O)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000160731784 509025756 /nfs/dbraw/zinc/02/57/56/509025756.db2.gz LBDHBVWISDFGSJ-HZPDHXFCSA-N 1 0 353.532 2.981 20 70 FFIDRO C[NH2+]CCC1CCN(C(=O)c2ccc(Br)cc2OC)CC1 ZINC000160733375 509025979 /nfs/dbraw/zinc/02/59/79/509025979.db2.gz DCIAGEAZEASBHP-UHFFFAOYSA-N 1 0 355.276 2.919 20 70 FFIDRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160765198 509030262 /nfs/dbraw/zinc/03/02/62/509030262.db2.gz BWOPRTZFTXDDRZ-ZGPJWRFFSA-N 1 0 360.498 2.888 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)nc2)CC1 ZINC000160789180 509033327 /nfs/dbraw/zinc/03/33/27/509033327.db2.gz DYHPENMTSLZGFT-NVXWUHKLSA-N 1 0 372.419 2.854 20 70 FFIDRO Cc1c(NC(=O)N[C@@H](C)CN2CCOCC2)cnn1-c1cc(C)ccc1C ZINC000160854639 509039947 /nfs/dbraw/zinc/03/99/47/509039947.db2.gz YEXKTFHRNLUWIK-INIZCTEOSA-N 1 0 371.485 2.640 20 70 FFIDRO Cc1ccc(OCCCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000160951070 509052489 /nfs/dbraw/zinc/05/24/89/509052489.db2.gz YUOJBFKFAJGIBZ-LJQANCHMSA-N 1 0 360.498 2.643 20 70 FFIDRO CCC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(OC)cc1 ZINC000160962253 509054069 /nfs/dbraw/zinc/05/40/69/509054069.db2.gz VBUWJWOMQKNSGH-LJQANCHMSA-N 1 0 369.465 2.541 20 70 FFIDRO COCCN(C(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC000160972319 509055097 /nfs/dbraw/zinc/05/50/97/509055097.db2.gz PURLZPHOYLVJSR-OAHLLOKOSA-N 1 0 364.486 2.709 20 70 FFIDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1)C[NH+]1CCCCC1 ZINC000161019133 509060584 /nfs/dbraw/zinc/06/05/84/509060584.db2.gz NRAFGPTXXQOPCT-GJZGRUSLSA-N 1 0 361.490 2.659 20 70 FFIDRO CCC[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000161028252 509061705 /nfs/dbraw/zinc/06/17/05/509061705.db2.gz PHHALKUJKIVYJM-UXHICEINSA-N 1 0 359.514 2.762 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000161069400 509067328 /nfs/dbraw/zinc/06/73/28/509067328.db2.gz QWOPBJSTROAGHQ-FQEVSTJZSA-N 1 0 357.498 2.588 20 70 FFIDRO C[C@@H](CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)C[NH+]1CCCC1 ZINC000161076232 509067954 /nfs/dbraw/zinc/06/79/54/509067954.db2.gz ROJUROPWPDLTIP-INIZCTEOSA-N 1 0 359.514 2.924 20 70 FFIDRO COCCC1(CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000161081523 509068638 /nfs/dbraw/zinc/06/86/38/509068638.db2.gz UBCUZARUUITIJO-SFHVURJKSA-N 1 0 351.535 2.957 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)CC1 ZINC000161082704 509069079 /nfs/dbraw/zinc/06/90/79/509069079.db2.gz ILJOASLDQMZQAE-CQSZACIVSA-N 1 0 363.527 2.974 20 70 FFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCc3n[nH]cc3C2)c1 ZINC000161123997 509074978 /nfs/dbraw/zinc/07/49/78/509074978.db2.gz IFFWXSNAEBSUAN-SFHVURJKSA-N 1 0 355.486 2.608 20 70 FFIDRO COCCC[NH+]1CCC(NC(=O)COc2cc(C)c(Cl)c(C)c2)CC1 ZINC000161179333 509081491 /nfs/dbraw/zinc/08/14/91/509081491.db2.gz JVEUYAPLDMFYIC-UHFFFAOYSA-N 1 0 368.905 2.953 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000161182626 509081823 /nfs/dbraw/zinc/08/18/23/509081823.db2.gz WIGQTQJWEZDQQX-GOSISDBHSA-N 1 0 354.450 2.855 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@]2(C)CCCC[C@@H]2O)CC1 ZINC000161209303 509086261 /nfs/dbraw/zinc/08/62/61/509086261.db2.gz NEKAEWLNESJCFZ-PBEJRMEISA-N 1 0 374.529 2.847 20 70 FFIDRO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161232051 509090090 /nfs/dbraw/zinc/09/00/90/509090090.db2.gz KYQYGINETDDKFJ-NVXWUHKLSA-N 1 0 361.404 2.678 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)NCC[N@H+](C)Cc3ccccc3)cc2)n1 ZINC000161248030 509091391 /nfs/dbraw/zinc/09/13/91/509091391.db2.gz KVVUVKRBKKXUBJ-UHFFFAOYSA-N 1 0 364.453 2.736 20 70 FFIDRO OCCN(CCC[NH+]1CCCCC1)Cc1cnn(Cc2ccccc2)c1 ZINC000161266125 509093955 /nfs/dbraw/zinc/09/39/55/509093955.db2.gz DFBGZBQTVDXBIJ-UHFFFAOYSA-N 1 0 356.514 2.602 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN(C)CC[C@@H]3CCCC[N@@H+]3C)c2c1 ZINC000161273789 509094924 /nfs/dbraw/zinc/09/49/24/509094924.db2.gz GASDZDCTKRCWRA-INIZCTEOSA-N 1 0 371.481 2.943 20 70 FFIDRO O=C(NCc1ccco1)c1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161316167 509101299 /nfs/dbraw/zinc/10/12/99/509101299.db2.gz DCRSDKCHXZZWEI-UHFFFAOYSA-N 1 0 370.449 2.985 20 70 FFIDRO CN1CCO[C@@H](CNC(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000161330067 509102894 /nfs/dbraw/zinc/10/28/94/509102894.db2.gz RNUSITWEJLMMEL-JTQLQIEISA-N 1 0 362.655 2.555 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CCc2ccncc2)CC1 ZINC000161348166 509104963 /nfs/dbraw/zinc/10/49/63/509104963.db2.gz HIIRXPOJNYTWCX-QGZVFWFLSA-N 1 0 367.497 2.886 20 70 FFIDRO CSC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000161381771 509109237 /nfs/dbraw/zinc/10/92/37/509109237.db2.gz XJLRHBSTHIHPPO-RYQLBKOJSA-N 1 0 370.607 2.717 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(=O)NC2CC2)cc1)c1ccco1 ZINC000161388686 509109849 /nfs/dbraw/zinc/10/98/49/509109849.db2.gz GWOBBLAQQMFOJE-SFHVURJKSA-N 1 0 369.465 2.985 20 70 FFIDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000161394355 509110667 /nfs/dbraw/zinc/11/06/67/509110667.db2.gz IJYHIYSGWSDUSZ-OAHLLOKOSA-N 1 0 364.449 2.898 20 70 FFIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161494053 509121901 /nfs/dbraw/zinc/12/19/01/509121901.db2.gz AEVWLXODXJFBGT-BBRMVZONSA-N 1 0 351.443 2.656 20 70 FFIDRO CN1CCN(CC(=O)NCc2cccc(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000216739280 509264431 /nfs/dbraw/zinc/26/44/31/509264431.db2.gz DUZXMENUWOEFDH-LJQANCHMSA-N 1 0 357.885 2.945 20 70 FFIDRO COc1cccc([C@H](CNC(=O)c2cc(OC)ccc2O)[NH+]2CCCC2)c1 ZINC000218525319 509278779 /nfs/dbraw/zinc/27/87/79/509278779.db2.gz PTQHIWCMHBDAIE-IBGZPJMESA-N 1 0 370.449 2.976 20 70 FFIDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000159379498 508833107 /nfs/dbraw/zinc/83/31/07/508833107.db2.gz MUMBRKALMIVODF-UHFFFAOYSA-N 1 0 368.481 2.801 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C1 ZINC000159401728 508837051 /nfs/dbraw/zinc/83/70/51/508837051.db2.gz ITVVLRIDOAJAFE-LLVKDONJSA-N 1 0 373.831 2.651 20 70 FFIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000159402754 508837517 /nfs/dbraw/zinc/83/75/17/508837517.db2.gz YYSAHTZUXMCYPS-INIZCTEOSA-N 1 0 356.297 2.908 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000159412208 508838520 /nfs/dbraw/zinc/83/85/20/508838520.db2.gz PJEWZBHIMIHQFS-ZDUSSCGKSA-N 1 0 371.403 2.738 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000159418800 508839995 /nfs/dbraw/zinc/83/99/95/508839995.db2.gz QPLCTPPBBSOLBE-CQSZACIVSA-N 1 0 369.303 2.943 20 70 FFIDRO CC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)c1c(C)noc1C ZINC000159438297 508842286 /nfs/dbraw/zinc/84/22/86/508842286.db2.gz UVNFQEYTEORVOM-MRXNPFEDSA-N 1 0 357.458 2.571 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2OCC2CC2)C1 ZINC000159463703 508845141 /nfs/dbraw/zinc/84/51/41/508845141.db2.gz QVLSSQXYBICVNA-KRWDZBQOSA-N 1 0 373.497 2.508 20 70 FFIDRO Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1I ZINC000159505895 508851744 /nfs/dbraw/zinc/85/17/44/508851744.db2.gz ZVOSODBUXKVXHP-TXEJJXNPSA-N 1 0 370.234 2.566 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)cn2)CC1 ZINC000159536609 508854316 /nfs/dbraw/zinc/85/43/16/508854316.db2.gz QPWXYGGUNDTLNS-RDJZCZTQSA-N 1 0 372.419 2.854 20 70 FFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000159535841 508854372 /nfs/dbraw/zinc/85/43/72/508854372.db2.gz SMWREDXWSRGCGH-QGZVFWFLSA-N 1 0 370.497 2.838 20 70 FFIDRO C[NH+](C)CCN(C(=O)NCc1ccccc1Cn1cccn1)C1CCCC1 ZINC000159562593 508858857 /nfs/dbraw/zinc/85/88/57/508858857.db2.gz MVBWARXIRCTVEK-UHFFFAOYSA-N 1 0 369.513 2.947 20 70 FFIDRO CC(=O)Nc1cc(C(=O)NCC(C)(C)C[NH+](C)C)cc(C(F)(F)F)c1 ZINC000159583117 508862274 /nfs/dbraw/zinc/86/22/74/508862274.db2.gz FDHWHNLQYSBBHH-UHFFFAOYSA-N 1 0 359.392 2.981 20 70 FFIDRO COCCCC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccccc1 ZINC000159625175 508867768 /nfs/dbraw/zinc/86/77/68/508867768.db2.gz TZNGHQNYLCLFDN-UHFFFAOYSA-N 1 0 373.497 2.780 20 70 FFIDRO [NH3+]C1(CNC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CCCCC1 ZINC000159754019 508885635 /nfs/dbraw/zinc/88/56/35/508885635.db2.gz IYGLCIQHYIOWKL-UHFFFAOYSA-N 1 0 373.884 2.941 20 70 FFIDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NCC1([NH3+])CCCCC1)CC2 ZINC000159770031 508887890 /nfs/dbraw/zinc/88/78/90/508887890.db2.gz NRHGOBGBCNBEPE-GFCCVEGCSA-N 1 0 370.419 2.687 20 70 FFIDRO C[C@@H](SCCN1CCOCC1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000159798600 508892707 /nfs/dbraw/zinc/89/27/07/508892707.db2.gz IKQFEVVBQKOBLX-SNVBAGLBSA-N 1 0 364.298 2.781 20 70 FFIDRO CCOc1cc(Cl)ccc1CNC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000159827446 508897184 /nfs/dbraw/zinc/89/71/84/508897184.db2.gz ZLCDAAQICFEVNB-CQSZACIVSA-N 1 0 369.893 2.506 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCCOc2ccccc2C(F)(F)F)CC1 ZINC000159828700 508898011 /nfs/dbraw/zinc/89/80/11/508898011.db2.gz XOUBRGLAPZWFSZ-UHFFFAOYSA-N 1 0 359.392 2.821 20 70 FFIDRO CSC[C@](C)(O)CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000159868911 508903179 /nfs/dbraw/zinc/90/31/79/508903179.db2.gz UZSMVSMGSORPFT-RDTXWAMCSA-N 1 0 353.532 2.529 20 70 FFIDRO Cc1cnccc1CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000159884282 508905969 /nfs/dbraw/zinc/90/59/69/508905969.db2.gz NLJAPLKCUXZOPF-PXNSSMCTSA-N 1 0 352.482 2.752 20 70 FFIDRO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000159887579 508906407 /nfs/dbraw/zinc/90/64/07/508906407.db2.gz YKRXRGJYWJSPCY-XLIONFOSSA-N 1 0 371.525 2.539 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000159892092 508907314 /nfs/dbraw/zinc/90/73/14/508907314.db2.gz CBRYLYYRFNCNNM-UHFFFAOYSA-N 1 0 368.522 2.560 20 70 FFIDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000159908152 508909734 /nfs/dbraw/zinc/90/97/34/508909734.db2.gz WQMZHJWFUNIYSF-HXUWFJFHSA-N 1 0 369.465 2.737 20 70 FFIDRO COc1cc(F)c([C@H](C)NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1OC ZINC000159961431 508917521 /nfs/dbraw/zinc/91/75/21/508917521.db2.gz AFCKEJYBAHTHBP-GVAFMPQTSA-N 1 0 350.434 2.941 20 70 FFIDRO COc1cc(F)c([C@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1OC ZINC000159978256 508919717 /nfs/dbraw/zinc/91/97/17/508919717.db2.gz SVJGTVCTOTUQNE-XJKSGUPXSA-N 1 0 367.465 2.886 20 70 FFIDRO COc1cc(F)c([C@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1OC ZINC000159978113 508919841 /nfs/dbraw/zinc/91/98/41/508919841.db2.gz SVJGTVCTOTUQNE-BBRMVZONSA-N 1 0 367.465 2.886 20 70 FFIDRO COc1cc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)ccc1S(C)(=O)=O ZINC000159993740 508921297 /nfs/dbraw/zinc/92/12/97/508921297.db2.gz YBNFKCHPPAHSJA-PXAZEXFGSA-N 1 0 369.508 2.719 20 70 FFIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)/C=C/c2ccc(Cl)nc2)C[C@H](C)O1 ZINC000160005584 508924614 /nfs/dbraw/zinc/92/46/14/508924614.db2.gz SWQVMXYFQFXPHS-WGPAFIDWSA-N 1 0 363.889 2.848 20 70 FFIDRO CC[NH+]1CCN(CCC(=O)N[C@H](c2cccc(C)c2)c2ccccn2)CC1 ZINC000160021719 508926665 /nfs/dbraw/zinc/92/66/65/508926665.db2.gz LKIXWANHVGTSKB-JOCHJYFZSA-N 1 0 366.509 2.623 20 70 FFIDRO COc1cc(Cl)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000160092945 508937284 /nfs/dbraw/zinc/93/72/84/508937284.db2.gz MHSSNHYVNWBPMY-DOMZBBRYSA-N 1 0 352.862 2.914 20 70 FFIDRO O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160119149 508940993 /nfs/dbraw/zinc/94/09/93/508940993.db2.gz HPSHFWVCZJIQLQ-KRWDZBQOSA-N 1 0 374.510 2.511 20 70 FFIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C1 ZINC000160130986 508943105 /nfs/dbraw/zinc/94/31/05/508943105.db2.gz IDPAAXMZNGRAMJ-GFCCVEGCSA-N 1 0 352.866 2.505 20 70 FFIDRO CCn1nccc1C[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000160143166 508945272 /nfs/dbraw/zinc/94/52/72/508945272.db2.gz ARCXBFKYOWXLFP-UHFFFAOYSA-N 1 0 361.921 2.858 20 70 FFIDRO CC(=O)N[C@H](CC(=O)NCC[NH+]1CCCCCC1)c1ccc(F)cc1F ZINC000160224216 508956828 /nfs/dbraw/zinc/95/68/28/508956828.db2.gz PMRAJIKVAJUYGB-GOSISDBHSA-N 1 0 367.440 2.524 20 70 FFIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000160233927 508957489 /nfs/dbraw/zinc/95/74/89/508957489.db2.gz ZJRNITFNOHYPPB-UHFFFAOYSA-N 1 0 370.501 2.531 20 70 FFIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCN1c2ccccc2CCC1=O ZINC000160245782 508960155 /nfs/dbraw/zinc/96/01/55/508960155.db2.gz YZHIFXVTXZGPEM-GOSISDBHSA-N 1 0 357.498 2.737 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000160257014 508961707 /nfs/dbraw/zinc/96/17/07/508961707.db2.gz VVJPULXGQHCNNO-MRXNPFEDSA-N 1 0 360.502 2.609 20 70 FFIDRO O=C(Cc1cccc2cccnc21)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160260175 508961924 /nfs/dbraw/zinc/96/19/24/508961924.db2.gz MNYFJQJHKWPWTQ-WOJBJXKFSA-N 1 0 367.493 2.661 20 70 FFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1cc(Br)cn1C ZINC000160304446 508967146 /nfs/dbraw/zinc/96/71/46/508967146.db2.gz ATOIOWXDRHJEBD-ZDUSSCGKSA-N 1 0 371.323 2.803 20 70 FFIDRO COc1cccc(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160347725 508974429 /nfs/dbraw/zinc/97/44/29/508974429.db2.gz JMOKNOAULXZGOL-UXHICEINSA-N 1 0 360.498 2.512 20 70 FFIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000160368321 508976594 /nfs/dbraw/zinc/97/65/94/508976594.db2.gz JTDGTLPUDOSZKV-LJQANCHMSA-N 1 0 359.470 2.946 20 70 FFIDRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160370778 508977745 /nfs/dbraw/zinc/97/77/45/508977745.db2.gz LACNGIVGDUYZGO-LJQANCHMSA-N 1 0 368.437 2.603 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)C[N@@H+]1Cc1ccccc1 ZINC000160397084 508981191 /nfs/dbraw/zinc/98/11/91/508981191.db2.gz KEWKOVUZFBCNCV-OBUJGBQQSA-N 1 0 365.477 2.607 20 70 FFIDRO Cc1cccc2c(CCC(=O)NCCCC[NH+]3CCN(C)CC3)c[nH]c21 ZINC000160408731 508982988 /nfs/dbraw/zinc/98/29/88/508982988.db2.gz SGCNXBLPGXCTEE-UHFFFAOYSA-N 1 0 356.514 2.553 20 70 FFIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)CCC(=O)NC1CCCC1 ZINC000160424253 508985002 /nfs/dbraw/zinc/98/50/02/508985002.db2.gz HKJAIYWZKDCDQR-UHFFFAOYSA-N 1 0 359.514 2.984 20 70 FFIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000160473607 508992192 /nfs/dbraw/zinc/99/21/92/508992192.db2.gz VDKILPPDAOJYJC-IRXDYDNUSA-N 1 0 370.501 2.892 20 70 FFIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCOC2(C1)CCCCCC2 ZINC000160476184 508992622 /nfs/dbraw/zinc/99/26/22/508992622.db2.gz CZKUUZKBSOBSQR-SFHVURJKSA-N 1 0 352.519 2.731 20 70 FFIDRO CC(C)Cc1nc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cs1 ZINC000160513902 508997283 /nfs/dbraw/zinc/99/72/83/508997283.db2.gz MPEBKCKSUKIRPC-DLBZAZTESA-N 1 0 365.543 2.839 20 70 FFIDRO Cc1ccc(OCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1C ZINC000160541621 509000353 /nfs/dbraw/zinc/00/03/53/509000353.db2.gz VFJFZSQHYJAEBN-SFTDATJTSA-N 1 0 374.525 2.956 20 70 FFIDRO C[N@H+](CC(=O)NCC1CCC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160581281 509005584 /nfs/dbraw/zinc/00/55/84/509005584.db2.gz UVIJIDGEMMDRSS-SJPCQFCGSA-N 1 0 365.518 2.765 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160659230 509015812 /nfs/dbraw/zinc/01/58/12/509015812.db2.gz QSKPSAYMEXNTPM-TZMCWYRMSA-N 1 0 369.303 2.941 20 70 FFIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC000160671127 509017824 /nfs/dbraw/zinc/01/78/24/509017824.db2.gz CKNSDWYCAJATOR-CALCHBBNSA-N 1 0 369.509 2.945 20 70 FFIDRO O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160673372 509017842 /nfs/dbraw/zinc/01/78/42/509017842.db2.gz JOWSVZWZTBKQNO-OAQYLSRUSA-N 1 0 352.478 2.859 20 70 FFIDRO Cc1[nH]c2ccccc2c1CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160685812 509020354 /nfs/dbraw/zinc/02/03/54/509020354.db2.gz MXIQDABWLLJZDJ-LEWJYISDSA-N 1 0 369.509 2.903 20 70 FFIDRO Cc1ccc(C)c(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160741036 509027676 /nfs/dbraw/zinc/02/76/76/509027676.db2.gz JFLDKXZXZPALHP-MOPGFXCFSA-N 1 0 360.498 2.566 20 70 FFIDRO CCOc1ccc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160753799 509029281 /nfs/dbraw/zinc/02/92/81/509029281.db2.gz IPOQHZGQMSZKSH-QOANIYFMSA-N 1 0 372.509 2.983 20 70 FFIDRO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160810306 509035513 /nfs/dbraw/zinc/03/55/13/509035513.db2.gz NNEWTFAPBPFEII-FUHWJXTLSA-N 1 0 359.518 2.900 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000160808873 509035546 /nfs/dbraw/zinc/03/55/46/509035546.db2.gz HHXMEEJZXSWPSS-KXBFYZLASA-N 1 0 362.495 2.759 20 70 FFIDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000160912630 509047124 /nfs/dbraw/zinc/04/71/24/509047124.db2.gz HWWSGLYOWRXNHI-BETUJISGSA-N 1 0 372.556 2.638 20 70 FFIDRO COC(=O)CCC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160996173 509057764 /nfs/dbraw/zinc/05/77/64/509057764.db2.gz KIWXOWAVWMFGCZ-GOSISDBHSA-N 1 0 367.534 2.872 20 70 FFIDRO CCCC(O)(CCC)CC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000161080360 509068617 /nfs/dbraw/zinc/06/86/17/509068617.db2.gz AFYWJGKSLNJCSU-RTBURBONSA-N 1 0 367.578 2.725 20 70 FFIDRO COc1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc(OC)c1O ZINC000161086214 509069838 /nfs/dbraw/zinc/06/98/38/509069838.db2.gz AISFEXAJPWKPMU-OAHLLOKOSA-N 1 0 362.401 2.581 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000161106250 509071825 /nfs/dbraw/zinc/07/18/25/509071825.db2.gz NDAUAEUGAPHECT-WCQYABFASA-N 1 0 367.287 2.742 20 70 FFIDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000161181808 509081971 /nfs/dbraw/zinc/08/19/71/509081971.db2.gz UQBGJAHMHYVXPP-UHFFFAOYSA-N 1 0 350.425 2.660 20 70 FFIDRO COc1ccc(NC(=O)[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccccc2)cc1 ZINC000161205486 509085767 /nfs/dbraw/zinc/08/57/67/509085767.db2.gz ICBUQPJORIUZDA-FXAWDEMLSA-N 1 0 367.449 2.585 20 70 FFIDRO COC[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000161223045 509087961 /nfs/dbraw/zinc/08/79/61/509087961.db2.gz DNLOKGXYQIJHMP-DLBZAZTESA-N 1 0 360.502 2.675 20 70 FFIDRO CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000161247053 509091857 /nfs/dbraw/zinc/09/18/57/509091857.db2.gz OOLDRIRILGZQNC-CQSZACIVSA-N 1 0 355.438 2.974 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)Cc2ccncc2)CC1 ZINC000161278344 509095662 /nfs/dbraw/zinc/09/56/62/509095662.db2.gz YWDKAIHCTRKTIC-INIZCTEOSA-N 1 0 353.470 2.844 20 70 FFIDRO C[C@@H](CC(=O)NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000161304976 509099871 /nfs/dbraw/zinc/09/98/71/509099871.db2.gz WNDKUBJQLSAPKS-JKSUJKDBSA-N 1 0 358.461 2.696 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000161311217 509100330 /nfs/dbraw/zinc/10/03/30/509100330.db2.gz IBOCXYQKQRPXJD-GFCCVEGCSA-N 1 0 356.396 2.923 20 70 FFIDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161350047 509105270 /nfs/dbraw/zinc/10/52/70/509105270.db2.gz OKMIHZSWSCBXLD-UHFFFAOYSA-N 1 0 353.551 2.802 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000161380228 509109247 /nfs/dbraw/zinc/10/92/47/509109247.db2.gz XVPHKASKGWNJKX-AWEZNQCLSA-N 1 0 352.360 2.715 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000161404739 509112019 /nfs/dbraw/zinc/11/20/19/509112019.db2.gz IUQIUZKVXOIHIZ-QGZVFWFLSA-N 1 0 374.529 2.997 20 70 FFIDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000161402692 509112324 /nfs/dbraw/zinc/11/23/24/509112324.db2.gz IMAIIYQYUBUXNJ-DOTOQJQBSA-N 1 0 372.465 2.787 20 70 FFIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000161427788 509114841 /nfs/dbraw/zinc/11/48/41/509114841.db2.gz NJUHXGLLZUPFCK-KRWDZBQOSA-N 1 0 356.474 2.868 20 70 FFIDRO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161430454 509115118 /nfs/dbraw/zinc/11/51/18/509115118.db2.gz KJJZZQNIVBEPKJ-DOTOQJQBSA-N 1 0 361.404 2.678 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3OC)c1 ZINC000161454317 509117335 /nfs/dbraw/zinc/11/73/35/509117335.db2.gz MMSHXETXNPRDCK-UGSOOPFHSA-N 1 0 360.479 2.941 20 70 FFIDRO CCC(=O)N1CC[C@H](C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000161484119 509120120 /nfs/dbraw/zinc/12/01/20/509120120.db2.gz KECLRCNKYJVVRC-FQEVSTJZSA-N 1 0 371.525 2.616 20 70 FFIDRO CC1CC[NH+](C2CCC(NC(=O)CCC(=O)NC3CCCC3)CC2)CC1 ZINC000161506931 509123039 /nfs/dbraw/zinc/12/30/39/509123039.db2.gz GDSZWDOUCOBNQA-UHFFFAOYSA-N 1 0 363.546 2.985 20 70 FFIDRO CCCCO[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000216804004 509264586 /nfs/dbraw/zinc/26/45/86/509264586.db2.gz HICAXOGBCCHJKD-NVXWUHKLSA-N 1 0 361.486 2.528 20 70 FFIDRO CC(C)[C@H]1CCC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000217201488 509268232 /nfs/dbraw/zinc/26/82/32/509268232.db2.gz RPVOAGKSNSLNJB-FUHWJXTLSA-N 1 0 359.470 2.622 20 70 FFIDRO COc1ccc([C@H](CNC(=O)c2cc(OC)ccc2O)[NH+]2CCCC2)cc1 ZINC000218279706 509276851 /nfs/dbraw/zinc/27/68/51/509276851.db2.gz DCMXGMOQFAKGFA-IBGZPJMESA-N 1 0 370.449 2.976 20 70 FFIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000159376234 508833621 /nfs/dbraw/zinc/83/36/21/508833621.db2.gz OOAUSGFJEHAZAP-HNNXBMFYSA-N 1 0 354.447 2.866 20 70 FFIDRO COc1cc([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)ccc1S(C)(=O)=O ZINC000159380202 508834208 /nfs/dbraw/zinc/83/42/08/508834208.db2.gz IXYIZPSMFVAXSX-KDOFPFPSSA-N 1 0 357.516 2.937 20 70 FFIDRO C[C@H]1CCCN(Cc2csc(NC(=O)CN(C)[C@@H]3CCSC3)n2)C1 ZINC000159421711 508839744 /nfs/dbraw/zinc/83/97/44/508839744.db2.gz OCEKRJHNPPYQKQ-DZGCQCFKSA-N 1 0 368.572 2.751 20 70 FFIDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCc2cscn2)CC1 ZINC000159443555 508843263 /nfs/dbraw/zinc/84/32/63/508843263.db2.gz LMZYWZNXPUXFBS-UHFFFAOYSA-N 1 0 358.511 2.992 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2OC(C)C)C1 ZINC000159459547 508845614 /nfs/dbraw/zinc/84/56/14/508845614.db2.gz MDIXJDBBOBLCEN-INIZCTEOSA-N 1 0 361.486 2.506 20 70 FFIDRO O=C(CCSc1ccc2c(c1)OCCO2)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000159492789 508849528 /nfs/dbraw/zinc/84/95/28/508849528.db2.gz VCPBJCRVVGMTQJ-OAHLLOKOSA-N 1 0 362.495 2.541 20 70 FFIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159531179 508853942 /nfs/dbraw/zinc/85/39/42/508853942.db2.gz DUEAFXLUUJIATB-OLZOCXBDSA-N 1 0 372.435 2.914 20 70 FFIDRO Cc1c(CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cnn1C ZINC000159533131 508854522 /nfs/dbraw/zinc/85/45/22/508854522.db2.gz BDVNBJOWVSHTCG-UHFFFAOYSA-N 1 0 369.513 2.960 20 70 FFIDRO CCOCCC1(CNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCC1 ZINC000159546413 508856087 /nfs/dbraw/zinc/85/60/87/508856087.db2.gz SEHIPGVWMIBBSU-UHFFFAOYSA-N 1 0 373.541 2.761 20 70 FFIDRO CC1(NC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CCC1 ZINC000159623533 508866837 /nfs/dbraw/zinc/86/68/37/508866837.db2.gz KOSYFYQSWUBRME-UHFFFAOYSA-N 1 0 358.530 2.826 20 70 FFIDRO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000159657281 508872226 /nfs/dbraw/zinc/87/22/26/508872226.db2.gz ZDQZOTMJDQFOMZ-MRXNPFEDSA-N 1 0 366.527 2.619 20 70 FFIDRO CN(CC[C@@H]1CCCC[N@@H+]1C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000159688537 508875720 /nfs/dbraw/zinc/87/57/20/508875720.db2.gz FHPVHUVMXVNROM-HOTGVXAUSA-N 1 0 368.319 2.782 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)CC1 ZINC000159759805 508886359 /nfs/dbraw/zinc/88/63/59/508886359.db2.gz KXSCTJBCLXIYMV-UHFFFAOYSA-N 1 0 360.502 2.908 20 70 FFIDRO CCOc1ccc2c(c1)C[C@H](C(=O)N1CCC([NH2+]CC3CC3)CC1)CO2 ZINC000159789829 508891238 /nfs/dbraw/zinc/89/12/38/508891238.db2.gz CASUVNXZMUDSNR-KRWDZBQOSA-N 1 0 358.482 2.627 20 70 FFIDRO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159804250 508893481 /nfs/dbraw/zinc/89/34/81/508893481.db2.gz JXBQYLJVNXRMKW-VGMNWLOBSA-N 1 0 366.330 2.802 20 70 FFIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1ccc(-n2cnnn2)cc1 ZINC000159831216 508897911 /nfs/dbraw/zinc/89/79/11/508897911.db2.gz IYRNKFJDIZTVSU-DLBZAZTESA-N 1 0 362.481 2.760 20 70 FFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CCCO)CC(C)(C)C ZINC000159941231 508915076 /nfs/dbraw/zinc/91/50/76/508915076.db2.gz IPTXSEQCFQAQLB-HKUYNNGSSA-N 1 0 361.530 2.947 20 70 FFIDRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159949065 508916010 /nfs/dbraw/zinc/91/60/10/508916010.db2.gz BFXKQCRUJXRPHY-GJZGRUSLSA-N 1 0 365.437 2.954 20 70 FFIDRO C[NH+](C)CCNC(=O)c1cc(Br)ccc1Br ZINC000159989660 508921809 /nfs/dbraw/zinc/92/18/09/508921809.db2.gz JQAWIBYMFOQNBK-UHFFFAOYSA-N 1 0 350.054 2.503 20 70 FFIDRO CC(=O)N1CCCc2cc(NC(=O)NCC[N@H+]3CCCC[C@H]3C)ccc21 ZINC000160022064 508926870 /nfs/dbraw/zinc/92/68/70/508926870.db2.gz PPGTZCVSRHHMJJ-OAHLLOKOSA-N 1 0 358.486 2.982 20 70 FFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000160058970 508931291 /nfs/dbraw/zinc/93/12/91/508931291.db2.gz MGBRBHDQBDNDOB-GJZGRUSLSA-N 1 0 351.491 2.741 20 70 FFIDRO CCCC1(CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCC1 ZINC000160071279 508934542 /nfs/dbraw/zinc/93/45/42/508934542.db2.gz HFEVZFOWODUCJQ-UHFFFAOYSA-N 1 0 359.518 2.603 20 70 FFIDRO CC(=O)Nc1ccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000160100278 508938200 /nfs/dbraw/zinc/93/82/00/508938200.db2.gz JVKRKRGMEYNTRS-UHFFFAOYSA-N 1 0 360.502 2.908 20 70 FFIDRO CC(C)CC[C@@H]1CCC(=O)N(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000160122287 508941450 /nfs/dbraw/zinc/94/14/50/508941450.db2.gz RYDGDGJOROILPH-QUCCMNQESA-N 1 0 372.509 2.607 20 70 FFIDRO O=C(NCc1cccc(-c2ccccn2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000160177279 508949861 /nfs/dbraw/zinc/94/98/61/508949861.db2.gz BKLGXFKRVKHYTQ-UHFFFAOYSA-N 1 0 350.466 2.986 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CC2CCOCC2)CC1 ZINC000160173251 508949877 /nfs/dbraw/zinc/94/98/77/508949877.db2.gz DGSAPUUQHYPLIL-MRXNPFEDSA-N 1 0 360.502 2.675 20 70 FFIDRO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2OC)cc1 ZINC000160182566 508950445 /nfs/dbraw/zinc/95/04/45/508950445.db2.gz MBYZCCVOUGJBBE-RTBURBONSA-N 1 0 363.502 2.774 20 70 FFIDRO COC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160218888 508955883 /nfs/dbraw/zinc/95/58/83/508955883.db2.gz PJXNOHLTGQUVLD-HXUWFJFHSA-N 1 0 353.466 2.534 20 70 FFIDRO CCC(CC)(CO)CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000160237362 508958599 /nfs/dbraw/zinc/95/85/99/508958599.db2.gz ISJTXMMDUHHWEW-UHFFFAOYSA-N 1 0 362.518 2.667 20 70 FFIDRO CO[C@@H](C)c1nc(C)c(C(=O)N(C)CC(C)(C)CN2CCOCC2)s1 ZINC000160264802 508962768 /nfs/dbraw/zinc/96/27/68/508962768.db2.gz TVMIELPRDVRZEO-AWEZNQCLSA-N 1 0 369.531 2.589 20 70 FFIDRO COc1cccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160285573 508964566 /nfs/dbraw/zinc/96/45/66/508964566.db2.gz BOOJLSSQZXSRMD-FBWYZNFGSA-N 1 0 358.482 2.593 20 70 FFIDRO Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160332641 508971671 /nfs/dbraw/zinc/97/16/71/508971671.db2.gz BILHZNLGZFRAQM-GOSISDBHSA-N 1 0 353.466 2.634 20 70 FFIDRO Cc1cc(C)cc(OCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160349739 508974148 /nfs/dbraw/zinc/97/41/48/508974148.db2.gz WCOJYSVBRDAXML-NHCUHLMSSA-N 1 0 374.525 2.956 20 70 FFIDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160414647 508983695 /nfs/dbraw/zinc/98/36/95/508983695.db2.gz CWUZQSSKVPTGEV-CYBMUJFWSA-N 1 0 366.575 2.952 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000160414345 508983857 /nfs/dbraw/zinc/98/38/57/508983857.db2.gz WGRUTMFINPNAIT-IIBYNOLFSA-N 1 0 359.514 2.606 20 70 FFIDRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160414769 508984003 /nfs/dbraw/zinc/98/40/03/508984003.db2.gz CWUZQSSKVPTGEV-ZDUSSCGKSA-N 1 0 366.575 2.952 20 70 FFIDRO Cc1c(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cccc1S(=O)(=O)NC(C)(C)C ZINC000160469674 508991420 /nfs/dbraw/zinc/99/14/20/508991420.db2.gz YOHCMVAWJZNQAA-KGLIPLIRSA-N 1 0 367.515 2.528 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000160479755 508992998 /nfs/dbraw/zinc/99/29/98/508992998.db2.gz GSVGRGKNXTWPLK-UHFFFAOYSA-N 1 0 374.506 2.908 20 70 FFIDRO CCN(C(=O)NCc1c(C)nn(C)c1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160479862 508993227 /nfs/dbraw/zinc/99/32/27/508993227.db2.gz MWHMULVCZORWGC-LJQANCHMSA-N 1 0 369.513 2.843 20 70 FFIDRO O=C(NCCOCc1ccc(Cl)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160504742 508996613 /nfs/dbraw/zinc/99/66/13/508996613.db2.gz YWQFLZBGYQAYMG-KRWDZBQOSA-N 1 0 351.878 2.736 20 70 FFIDRO O=C(C[NH2+][C@H]1CCc2c1cc(Br)cc2F)NCC(F)(F)F ZINC000160535395 508999579 /nfs/dbraw/zinc/99/95/79/508999579.db2.gz OGLUOGWLSYWZRQ-NSHDSACASA-N 1 0 369.156 2.844 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000160591661 509007279 /nfs/dbraw/zinc/00/72/79/509007279.db2.gz LRSMGPWPEHGQBG-ICSRJNTNSA-N 1 0 360.498 2.650 20 70 FFIDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160592464 509007588 /nfs/dbraw/zinc/00/75/88/509007588.db2.gz YRQPOJMCQBUGSF-UHFFFAOYSA-N 1 0 359.352 2.634 20 70 FFIDRO C[NH+](C)CCN(C(=O)NCc1ccc(Cn2ccnc2)cc1)C1CCCC1 ZINC000160613517 509010147 /nfs/dbraw/zinc/01/01/47/509010147.db2.gz HUXLGDCQLRDENP-UHFFFAOYSA-N 1 0 369.513 2.947 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000160657890 509015337 /nfs/dbraw/zinc/01/53/37/509015337.db2.gz JOHDCGCLQSGYRV-ULQDDVLXSA-N 1 0 370.415 2.772 20 70 FFIDRO O=C(CSc1ccc2ccccc2c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160654981 509015544 /nfs/dbraw/zinc/01/55/44/509015544.db2.gz DXHMWXHHCBPAKA-SFHVURJKSA-N 1 0 358.507 2.895 20 70 FFIDRO Cc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)c(OCC[NH+](C)C)c1 ZINC000160678181 509018238 /nfs/dbraw/zinc/01/82/38/509018238.db2.gz KAGMPHRLFBXIMN-UYAOXDASSA-N 1 0 369.465 2.715 20 70 FFIDRO C[C@H](CCNC(=O)c1cnc2c(c1)ncn2C)[N@H+](C)Cc1ccccc1 ZINC000160684631 509020109 /nfs/dbraw/zinc/02/01/09/509020109.db2.gz JYJAMEXLLNFVPU-OAHLLOKOSA-N 1 0 351.454 2.609 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2)n1 ZINC000160697435 509022222 /nfs/dbraw/zinc/02/22/22/509022222.db2.gz YMBUEEPPORCRKF-GOSISDBHSA-N 1 0 364.453 2.907 20 70 FFIDRO C[NH+]1CCC(NC(=O)N2CC(OCc3cccc4ccccc43)C2)CC1 ZINC000160714750 509024572 /nfs/dbraw/zinc/02/45/72/509024572.db2.gz KMBMOGYDPBFMPK-UHFFFAOYSA-N 1 0 353.466 2.844 20 70 FFIDRO O=C(NCCNc1ccc2ccccc2n1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160814534 509036308 /nfs/dbraw/zinc/03/63/08/509036308.db2.gz UGVRWQHKTVAKOH-QGZVFWFLSA-N 1 0 367.497 2.963 20 70 FFIDRO O=C(NC[C@H](O)c1ccsc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000160838621 509038324 /nfs/dbraw/zinc/03/83/24/509038324.db2.gz VYARSJUGTHSLFN-ROUUACIJSA-N 1 0 359.495 2.918 20 70 FFIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160851442 509040181 /nfs/dbraw/zinc/04/01/81/509040181.db2.gz UAAKFCGEBGFOHK-HUUCEWRRSA-N 1 0 356.474 2.724 20 70 FFIDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000160928773 509049705 /nfs/dbraw/zinc/04/97/05/509049705.db2.gz UZZVVUOHRCGLKD-OTWHNJEPSA-N 1 0 357.498 2.717 20 70 FFIDRO CC(=O)N(Cc1ccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1)C1CC1 ZINC000160953006 509052732 /nfs/dbraw/zinc/05/27/32/509052732.db2.gz FVXYCULTMAKVKC-OAQYLSRUSA-N 1 0 363.461 2.851 20 70 FFIDRO CCc1ccc([C@H](CC)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160987707 509057384 /nfs/dbraw/zinc/05/73/84/509057384.db2.gz UQQXGNTZDLMWKA-IBGZPJMESA-N 1 0 353.466 2.705 20 70 FFIDRO C[C@@]1(n2cc(C[NH2+][C@H]3CCCc4sccc43)cn2)CCS(=O)(=O)C1 ZINC000160985591 509057392 /nfs/dbraw/zinc/05/73/92/509057392.db2.gz KTMSNMBFRKDLIA-DOTOQJQBSA-N 1 0 365.524 2.646 20 70 FFIDRO CC[NH+](CC)CCNC(=O)c1cccc(NC2CCC(NC(C)=O)CC2)c1 ZINC000161138671 509076401 /nfs/dbraw/zinc/07/64/01/509076401.db2.gz DVMQNLRTKHVQES-UHFFFAOYSA-N 1 0 374.529 2.617 20 70 FFIDRO CC[C@@H]1CCCN(C(=O)C[C@]2(C(=O)N3CCC[C@H](CC)C3)CC[NH2+]C2)C1 ZINC000161183526 509082042 /nfs/dbraw/zinc/08/20/42/509082042.db2.gz VVCWJYKGIIUNLH-LVCYWYKZSA-N 1 0 363.546 2.653 20 70 FFIDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NCc1ccccc1 ZINC000161193044 509083691 /nfs/dbraw/zinc/08/36/91/509083691.db2.gz BWGUAPFOIZMTEZ-HOTGVXAUSA-N 1 0 367.449 2.999 20 70 FFIDRO CC(=O)N1CC[C@@H](CN(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000161216714 509087360 /nfs/dbraw/zinc/08/73/60/509087360.db2.gz GBOVPWNMWZZOHX-AEFFLSMTSA-N 1 0 374.529 2.626 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000161277985 509095555 /nfs/dbraw/zinc/09/55/55/509095555.db2.gz YCDUZSZFAPDPBJ-MRXNPFEDSA-N 1 0 357.479 2.502 20 70 FFIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000161302472 509099917 /nfs/dbraw/zinc/09/99/17/509099917.db2.gz MYRXWQNCDNOENR-CJNGLKHVSA-N 1 0 369.303 2.780 20 70 FFIDRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000161436457 509115526 /nfs/dbraw/zinc/11/55/26/509115526.db2.gz ZDEZTEZEVUYJDN-CQSZACIVSA-N 1 0 353.426 2.573 20 70 FFIDRO COC(=O)N[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(C)C ZINC000161453777 509117324 /nfs/dbraw/zinc/11/73/24/509117324.db2.gz SOJYLYWWBMGMMW-JCYILVPMSA-N 1 0 353.507 2.526 20 70 FFIDRO CSCc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159369760 508832592 /nfs/dbraw/zinc/83/25/92/508832592.db2.gz VSHAYACUHCOSMF-MRXNPFEDSA-N 1 0 363.527 2.582 20 70 FFIDRO C[C@H](Cc1ccccc1Cl)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000159378063 508833305 /nfs/dbraw/zinc/83/33/05/508833305.db2.gz ONCYNIAYEVEXEX-WBVHZDCISA-N 1 0 352.906 2.728 20 70 FFIDRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)nn1-c1ccc(F)cc1F ZINC000159380115 508834272 /nfs/dbraw/zinc/83/42/72/508834272.db2.gz WUJZDGXCNAWPJL-ZDUSSCGKSA-N 1 0 362.424 2.921 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](COC)C2CC2)cc1 ZINC000159397293 508836975 /nfs/dbraw/zinc/83/69/75/508836975.db2.gz PGSUMRAETHPFAT-KDOFPFPSSA-N 1 0 354.516 2.793 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(N(C)C(C)C)c2)C1 ZINC000159437789 508842608 /nfs/dbraw/zinc/84/26/08/508842608.db2.gz XEAQRVBSLJSXOQ-KRWDZBQOSA-N 1 0 374.529 2.564 20 70 FFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000159453985 508844418 /nfs/dbraw/zinc/84/44/18/508844418.db2.gz TWGYELPPGZKPAX-OLZOCXBDSA-N 1 0 361.467 2.640 20 70 FFIDRO CC(=O)[C@H](C)CCCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000159464239 508845972 /nfs/dbraw/zinc/84/59/72/508845972.db2.gz YXQKSSGSUFAKQA-LZQZEXGQSA-N 1 0 352.519 2.656 20 70 FFIDRO CC[C@H]([NH3+])C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000159486374 508848637 /nfs/dbraw/zinc/84/86/37/508848637.db2.gz JBHIOELLSWVYNU-KRWDZBQOSA-N 1 0 352.438 2.953 20 70 FFIDRO O=C(Nc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1)OCC(F)(F)F ZINC000159665430 508873743 /nfs/dbraw/zinc/87/37/43/508873743.db2.gz ZSQYZLMPZSAGNO-OKILXGFUSA-N 1 0 371.359 2.764 20 70 FFIDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000159683378 508875121 /nfs/dbraw/zinc/87/51/21/508875121.db2.gz OLNJRCMSEHSBSH-UXHICEINSA-N 1 0 371.525 2.953 20 70 FFIDRO C[C@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccc(OC(F)(F)F)cc1 ZINC000159707501 508878162 /nfs/dbraw/zinc/87/81/62/508878162.db2.gz ZTPAZTODVUVTCC-NOLJZWGESA-N 1 0 374.403 2.855 20 70 FFIDRO Cc1nc2ccccc2n1CCCNC(=O)c1ccnc(-n2cccn2)c1 ZINC000159827881 508896857 /nfs/dbraw/zinc/89/68/57/508896857.db2.gz WEWBJYCWGDBGJM-UHFFFAOYSA-N 1 0 360.421 2.746 20 70 FFIDRO COCc1ccc(CNC(=O)C[N@H+](CCc2nccs2)C(C)C)cc1 ZINC000159847869 508899930 /nfs/dbraw/zinc/89/99/30/508899930.db2.gz ZEWOBSDMLNRDEI-UHFFFAOYSA-N 1 0 361.511 2.859 20 70 FFIDRO CCN(CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000159878553 508904954 /nfs/dbraw/zinc/90/49/54/508904954.db2.gz MDPOVXHIDJDAAB-MRXNPFEDSA-N 1 0 361.486 2.603 20 70 FFIDRO CCOc1cc(CCCNC(=O)N2CCC[N@H+](CC)CC2)ccc1OC ZINC000159882817 508905782 /nfs/dbraw/zinc/90/57/82/508905782.db2.gz YJOQPGLLFKPQDF-UHFFFAOYSA-N 1 0 363.502 2.764 20 70 FFIDRO O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000159890065 508907723 /nfs/dbraw/zinc/90/77/23/508907723.db2.gz ZUMBXJYRWIKGPA-UHFFFAOYSA-N 1 0 363.502 2.665 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCc1ccccc1F ZINC000159906044 508908983 /nfs/dbraw/zinc/90/89/83/508908983.db2.gz RQEUSLJCNZOXRI-LSDHHAIUSA-N 1 0 367.428 2.762 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Sc2ccccn2)cc1 ZINC000159914469 508910618 /nfs/dbraw/zinc/91/06/18/508910618.db2.gz KWHRHEJYDGMJMQ-KRWDZBQOSA-N 1 0 371.506 2.809 20 70 FFIDRO C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H](O)C[NH+]4CCCCC4)cc3c2C1 ZINC000159928978 508912434 /nfs/dbraw/zinc/91/24/34/508912434.db2.gz HDRQUWMNQQKZMN-DOTOQJQBSA-N 1 0 369.509 2.869 20 70 FFIDRO CCc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[nH]c(C)c1C(N)=O ZINC000159945845 508915994 /nfs/dbraw/zinc/91/59/94/508915994.db2.gz VZZVXBDKVBUWKD-CQSZACIVSA-N 1 0 374.510 2.613 20 70 FFIDRO CCN(C(=O)NCCCc1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159976128 508919975 /nfs/dbraw/zinc/91/99/75/508919975.db2.gz YGTCTOGNRZIFJH-FQEVSTJZSA-N 1 0 369.513 2.659 20 70 FFIDRO O=C(CCSc1ccc(Cl)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159984823 508920423 /nfs/dbraw/zinc/92/04/23/508920423.db2.gz SWMYUHMKVKFSAI-HNNXBMFYSA-N 1 0 356.919 2.785 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000159986476 508920805 /nfs/dbraw/zinc/92/08/05/508920805.db2.gz OFINJJYFHPKXJU-QGZVFWFLSA-N 1 0 372.469 2.683 20 70 FFIDRO COCCCOc1cccc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000159996627 508922720 /nfs/dbraw/zinc/92/27/20/508922720.db2.gz RFNKRGQSIRUOAD-RDJZCZTQSA-N 1 0 361.486 2.526 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000160030433 508928112 /nfs/dbraw/zinc/92/81/12/508928112.db2.gz GSOUPDDHPWYLLC-NEWSRXKRSA-N 1 0 367.497 2.819 20 70 FFIDRO C[NH+](C)CCOc1ccc(CNC(=O)NC[C@]2(C)CCCS2)cc1 ZINC000160040281 508928946 /nfs/dbraw/zinc/92/89/46/508928946.db2.gz KZXDECIDMZQHRW-SFHVURJKSA-N 1 0 351.516 2.712 20 70 FFIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160077560 508934800 /nfs/dbraw/zinc/93/48/00/508934800.db2.gz SAAXTBVXEIDWAH-MRXNPFEDSA-N 1 0 366.465 2.678 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000160100832 508938267 /nfs/dbraw/zinc/93/82/67/508938267.db2.gz AYRDIDFOVPLCIH-IMJJTQAJSA-N 1 0 370.415 2.772 20 70 FFIDRO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(F)c1F)[NH+]1CCN(C)CC1 ZINC000160134326 508943852 /nfs/dbraw/zinc/94/38/52/508943852.db2.gz RJSHRZPMXJRWBW-WMLDXEAASA-N 1 0 368.472 2.597 20 70 FFIDRO CSC[C@@H](CCO)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000160155606 508946663 /nfs/dbraw/zinc/94/66/63/508946663.db2.gz CZIGVTLBDUFLBN-CQSZACIVSA-N 1 0 356.919 2.648 20 70 FFIDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCC(C)(C)c2ccccc2)CC1 ZINC000160158562 508947492 /nfs/dbraw/zinc/94/74/92/508947492.db2.gz IHMUMIMPYULTII-IBGZPJMESA-N 1 0 371.525 2.509 20 70 FFIDRO COc1ccc(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160173580 508949827 /nfs/dbraw/zinc/94/98/27/508949827.db2.gz SHHCUXHUQQDJFE-VQTJNVASSA-N 1 0 360.498 2.512 20 70 FFIDRO Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)[NH+]2CCCC2)cc1 ZINC000160315431 508968998 /nfs/dbraw/zinc/96/89/98/508968998.db2.gz WSXUUQOWYRBIEN-UFYCRDLUSA-N 1 0 359.514 2.934 20 70 FFIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000160313733 508969287 /nfs/dbraw/zinc/96/92/87/508969287.db2.gz YGYBEZRQLRLYCW-GXTWGEPZSA-N 1 0 371.407 2.926 20 70 FFIDRO CC[NH+](CC)Cc1ccc(CNC(=O)CCC(=O)NC2CCCC2)cc1 ZINC000160315246 508969432 /nfs/dbraw/zinc/96/94/32/508969432.db2.gz KQERXHHDTFEZDD-UHFFFAOYSA-N 1 0 359.514 2.984 20 70 FFIDRO CN(C[C@@H]1CCC[C@H]1O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000160318239 508970322 /nfs/dbraw/zinc/97/03/22/508970322.db2.gz OPUZJNDDEFTLCL-FUHWJXTLSA-N 1 0 365.543 2.763 20 70 FFIDRO COc1cc(Cl)ccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160345362 508973608 /nfs/dbraw/zinc/97/36/08/508973608.db2.gz GQOHCYYKMGYFNT-SJORKVTESA-N 1 0 366.889 2.846 20 70 FFIDRO CSc1ccsc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160362805 508976265 /nfs/dbraw/zinc/97/62/65/508976265.db2.gz KIDPOULUQKXWAZ-KGLIPLIRSA-N 1 0 354.541 2.968 20 70 FFIDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000160382059 508978436 /nfs/dbraw/zinc/97/84/36/508978436.db2.gz GXWVZYNDQRHFKW-HXUWFJFHSA-N 1 0 361.449 2.834 20 70 FFIDRO COc1cc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)ccc1SC ZINC000160416655 508984189 /nfs/dbraw/zinc/98/41/89/508984189.db2.gz BGASUYSBNQWGTE-AWEZNQCLSA-N 1 0 365.543 2.620 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000160427530 508985208 /nfs/dbraw/zinc/98/52/08/508985208.db2.gz NPBKWCFAXXGGCU-BBWFWOEESA-N 1 0 370.415 2.772 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000160465418 508990552 /nfs/dbraw/zinc/99/05/52/508990552.db2.gz OZULFTCITZYZLZ-IOMROCGXSA-N 1 0 352.478 2.906 20 70 FFIDRO CC(C)Cc1nc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cs1 ZINC000160513780 508997430 /nfs/dbraw/zinc/99/74/30/508997430.db2.gz MPEBKCKSUKIRPC-IAGOWNOFSA-N 1 0 365.543 2.839 20 70 FFIDRO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160549803 509001444 /nfs/dbraw/zinc/00/14/44/509001444.db2.gz LEMBVMBPNDHUFC-IYBDPMFKSA-N 1 0 358.873 2.860 20 70 FFIDRO O=C(Cc1ccc(Cl)cc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160558296 509003051 /nfs/dbraw/zinc/00/30/51/509003051.db2.gz KHUMFTQNRNDTHJ-MSOLQXFVSA-N 1 0 350.890 2.767 20 70 FFIDRO FC(F)(F)CN1CCC([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000160577666 509005326 /nfs/dbraw/zinc/00/53/26/509005326.db2.gz JPAYANDFHLKQSI-UHFFFAOYSA-N 1 0 371.447 2.635 20 70 FFIDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160581523 509005720 /nfs/dbraw/zinc/00/57/20/509005720.db2.gz PMOFOAZCJIGAPS-SECBINFHSA-N 1 0 358.389 2.843 20 70 FFIDRO CCSc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000160590290 509007103 /nfs/dbraw/zinc/00/71/03/509007103.db2.gz YLOKFMUJSGQWMT-DLBZAZTESA-N 1 0 363.527 2.691 20 70 FFIDRO O=C(Cc1ccc(F)cc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160601112 509008464 /nfs/dbraw/zinc/00/84/64/509008464.db2.gz IFHJSQMXDQJYCF-QZTJIDSGSA-N 1 0 368.880 2.906 20 70 FFIDRO O=C(C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)NCC(F)(F)F ZINC000160625729 509011672 /nfs/dbraw/zinc/01/16/72/509011672.db2.gz RAURMUMZWBNLDW-LLVKDONJSA-N 1 0 356.266 2.841 20 70 FFIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc(S(C)(=O)=O)cs2)C1 ZINC000160648865 509014061 /nfs/dbraw/zinc/01/40/61/509014061.db2.gz APMLUSVKOGENTA-ZIAGYGMSSA-N 1 0 372.556 2.640 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000160657139 509015503 /nfs/dbraw/zinc/01/55/03/509015503.db2.gz PZSNWZSQGSOVQW-CALCHBBNSA-N 1 0 373.541 2.852 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000160674917 509018824 /nfs/dbraw/zinc/01/88/24/509018824.db2.gz NXXPDOANQRFSNI-INIZCTEOSA-N 1 0 355.482 2.623 20 70 FFIDRO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160685318 509020368 /nfs/dbraw/zinc/02/03/68/509020368.db2.gz ITJCPGZLMFCVIK-QGZVFWFLSA-N 1 0 361.530 2.886 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000160692506 509021291 /nfs/dbraw/zinc/02/12/91/509021291.db2.gz RJOSXFACCZDFQH-MRXNPFEDSA-N 1 0 359.514 2.606 20 70 FFIDRO O=C(NCC1CC[NH+](CCO)CC1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000160704472 509022688 /nfs/dbraw/zinc/02/26/88/509022688.db2.gz JQENZXPJJPLIOZ-UHFFFAOYSA-N 1 0 370.415 2.558 20 70 FFIDRO CCN(C(=O)N[C@@H](C)Cc1cc(C)n[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160815945 509036410 /nfs/dbraw/zinc/03/64/10/509036410.db2.gz PAVNCUCFMXCTRJ-OXJNMPFZSA-N 1 0 369.513 2.955 20 70 FFIDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)NC(=O)NC(C)(C)C ZINC000160848416 509039878 /nfs/dbraw/zinc/03/98/78/509039878.db2.gz ZVDXODAALWPLBH-KBPBESRZSA-N 1 0 357.458 2.536 20 70 FFIDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160881977 509043891 /nfs/dbraw/zinc/04/38/91/509043891.db2.gz UEMPWMDTYCFTID-HIFRSBDPSA-N 1 0 366.469 2.900 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000160888196 509044189 /nfs/dbraw/zinc/04/41/89/509044189.db2.gz VCVCPYQGVNLZNX-AWEZNQCLSA-N 1 0 372.469 2.511 20 70 FFIDRO CC(C)[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000161025787 509061610 /nfs/dbraw/zinc/06/16/10/509061610.db2.gz QAMPCYRMWWLUHD-KRWDZBQOSA-N 1 0 367.515 2.562 20 70 FFIDRO CCc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2cccc(CO)c2)[NH+](C)C)cc1 ZINC000161089611 509069720 /nfs/dbraw/zinc/06/97/20/509069720.db2.gz JBGOFRISGZCQDZ-IIBYNOLFSA-N 1 0 370.493 2.928 20 70 FFIDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161147950 509077456 /nfs/dbraw/zinc/07/74/56/509077456.db2.gz BZUUMCFUIWQQON-LPHOPBHVSA-N 1 0 353.466 2.853 20 70 FFIDRO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161166446 509079717 /nfs/dbraw/zinc/07/97/17/509079717.db2.gz QICFJPOBQYPJLV-IDHHARJASA-N 1 0 350.890 2.972 20 70 FFIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000161170434 509080495 /nfs/dbraw/zinc/08/04/95/509080495.db2.gz AFUVKUBORBIAJL-KSZLIROESA-N 1 0 361.486 2.619 20 70 FFIDRO CCC[C@H](CCO)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161174178 509080626 /nfs/dbraw/zinc/08/06/26/509080626.db2.gz IILPIIXEFVBGRJ-DLBZAZTESA-N 1 0 362.518 2.705 20 70 FFIDRO CC[C@@H]1CCCN(C(=O)C[C@@]2(C(=O)N3CCC[C@H](CC)C3)CC[NH2+]C2)C1 ZINC000161183772 509081905 /nfs/dbraw/zinc/08/19/05/509081905.db2.gz VVCWJYKGIIUNLH-LQWHRVPQSA-N 1 0 363.546 2.653 20 70 FFIDRO COC[C@H]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000161222797 509087889 /nfs/dbraw/zinc/08/78/89/509087889.db2.gz DNLOKGXYQIJHMP-IRXDYDNUSA-N 1 0 360.502 2.675 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000161222346 509088005 /nfs/dbraw/zinc/08/80/05/509088005.db2.gz ZHJZCSCHEOJTHR-UHFFFAOYSA-N 1 0 350.850 2.814 20 70 FFIDRO Cc1c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000161232007 509089786 /nfs/dbraw/zinc/08/97/86/509089786.db2.gz RXDUJJFWEQGJLU-HNAYVOBHSA-N 1 0 367.497 2.777 20 70 FFIDRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000161313068 509100880 /nfs/dbraw/zinc/10/08/80/509100880.db2.gz PBEOJGCSDGDLBJ-CHWSQXEVSA-N 1 0 367.287 2.726 20 70 FFIDRO Cc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1I ZINC000161323670 509101868 /nfs/dbraw/zinc/10/18/68/509101868.db2.gz UXIOUXKGUKWDDX-MNOVXSKESA-N 1 0 358.223 2.599 20 70 FFIDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1ccc(F)cc1Cl ZINC000161428172 509115080 /nfs/dbraw/zinc/11/50/80/509115080.db2.gz WDUIQSCIERDXNO-UHFFFAOYSA-N 1 0 363.820 2.821 20 70 FFIDRO CCOC(=O)c1c(C)oc2nc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)nc(N)c21 ZINC000161451128 509117366 /nfs/dbraw/zinc/11/73/66/509117366.db2.gz XKSZNNBGEJVFPV-STQMWFEESA-N 1 0 358.442 2.912 20 70 FFIDRO Cc1c(C(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)nnn1C1CC[NH2+]CC1 ZINC000161484622 509120440 /nfs/dbraw/zinc/12/04/40/509120440.db2.gz NOKDUPWIJSOVHI-ORAYPTAESA-N 1 0 371.460 2.873 20 70 FFIDRO O=C(NCCOCc1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000161486988 509121109 /nfs/dbraw/zinc/12/11/09/509121109.db2.gz WPAFISGSKSOBKQ-UHFFFAOYSA-N 1 0 351.878 2.783 20 70 FFIDRO O=C(Nc1nnc(Cc2ccccc2F)s1)[C@H]1CCn2ccnc2C1 ZINC000161508324 509123381 /nfs/dbraw/zinc/12/33/81/509123381.db2.gz MCBCRHYWDFNSQP-LBPRGKRZSA-N 1 0 357.414 2.666 20 70 FFIDRO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000217198709 509268417 /nfs/dbraw/zinc/26/84/17/509268417.db2.gz JPRMNKVPKARBCW-RXVVDRJESA-N 1 0 369.465 2.687 20 70 FFIDRO Cc1cc(S(=O)(=O)F)cnc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165050569 721978968 /nfs/dbraw/zinc/97/89/68/721978968.db2.gz VKNKCFBAVPAVOQ-HNNXBMFYSA-N 1 0 355.479 2.893 20 70 FFIDRO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H](OC(C)(C)C)c2ccccc2)CC1 ZINC000159378311 508833612 /nfs/dbraw/zinc/83/36/12/508833612.db2.gz BMEJTCGAONTKBD-RBUKOAKNSA-N 1 0 362.514 2.752 20 70 FFIDRO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000159427085 508840790 /nfs/dbraw/zinc/84/07/90/508840790.db2.gz OKOBNAPFCWIUKU-UGSOOPFHSA-N 1 0 357.433 2.565 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000159478862 508847774 /nfs/dbraw/zinc/84/77/74/508847774.db2.gz BBGSMAVDBDBHMS-GFCCVEGCSA-N 1 0 355.841 2.512 20 70 FFIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000159484701 508848668 /nfs/dbraw/zinc/84/86/68/508848668.db2.gz YZSCPUBKVLOULD-HZPDHXFCSA-N 1 0 357.498 2.677 20 70 FFIDRO C[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000159568985 508859742 /nfs/dbraw/zinc/85/97/42/508859742.db2.gz HZCVMKNWGDVXIA-QUCCMNQESA-N 1 0 356.466 2.901 20 70 FFIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000159632580 508868771 /nfs/dbraw/zinc/86/87/71/508868771.db2.gz QDJMYHXPGPTTBD-ZBFHGGJFSA-N 1 0 363.889 2.987 20 70 FFIDRO COc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@H](C)C2)[NH+](C)C)cc1OC ZINC000159802340 508892906 /nfs/dbraw/zinc/89/29/06/508892906.db2.gz WZKCJLKHEGECNW-INMHGKMJSA-N 1 0 363.502 2.994 20 70 FFIDRO COCCCNC(=O)[C@H](C)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000159845711 508899992 /nfs/dbraw/zinc/89/99/92/508899992.db2.gz MSVPYHYNXMHVEQ-AWEZNQCLSA-N 1 0 354.441 2.907 20 70 FFIDRO COCCOC[C@H]1CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000159853969 508900997 /nfs/dbraw/zinc/90/09/97/508900997.db2.gz GCQFBQRGIGWFAG-LBPRGKRZSA-N 1 0 368.275 2.810 20 70 FFIDRO C[C@H]1C[C@@H](NC(=O)NC[C@H](O)c2ccsc2)C[N@@H+]1Cc1ccccc1 ZINC000159919324 508911588 /nfs/dbraw/zinc/91/15/88/508911588.db2.gz VTRKJBGGRZGLRC-QGTPRVQTSA-N 1 0 359.495 2.744 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1ccc(-n2ccnn2)cc1 ZINC000159922722 508911685 /nfs/dbraw/zinc/91/16/85/508911685.db2.gz ASSBAPDWNCCXKS-CABCVRRESA-N 1 0 367.428 2.762 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000159922853 508911752 /nfs/dbraw/zinc/91/17/52/508911752.db2.gz ASSBAPDWNCCXKS-LSDHHAIUSA-N 1 0 367.428 2.762 20 70 FFIDRO CCCOc1nc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc2ccccc21 ZINC000159931903 508913369 /nfs/dbraw/zinc/91/33/69/508913369.db2.gz GITLHZWSBZSWLL-KRWDZBQOSA-N 1 0 371.481 2.600 20 70 FFIDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000159940356 508915229 /nfs/dbraw/zinc/91/52/29/508915229.db2.gz CUCLEHYLMREZLT-CQSZACIVSA-N 1 0 359.445 2.909 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(C)cc2OCCCOC)CC1 ZINC000159964870 508918242 /nfs/dbraw/zinc/91/82/42/508918242.db2.gz XLHADTDWQGBQQS-UHFFFAOYSA-N 1 0 363.502 2.648 20 70 FFIDRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC000159987805 508920812 /nfs/dbraw/zinc/92/08/12/508920812.db2.gz JZAOSQMYRUNYRC-SFHVURJKSA-N 1 0 366.509 2.994 20 70 FFIDRO O=C(c1cc(N2CCCC2=O)ccc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000160007146 508924109 /nfs/dbraw/zinc/92/41/09/508924109.db2.gz QOVUHUGZTMYKMG-UHFFFAOYSA-N 1 0 359.445 2.653 20 70 FFIDRO CC(=O)N1CCCc2cc(NC(=O)NCC[N@H+]3CCCC[C@@H]3C)ccc21 ZINC000160022210 508926533 /nfs/dbraw/zinc/92/65/33/508926533.db2.gz PPGTZCVSRHHMJJ-HNNXBMFYSA-N 1 0 358.486 2.982 20 70 FFIDRO O=C(NCc1ccc(O)c(F)c1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160019916 508926849 /nfs/dbraw/zinc/92/68/49/508926849.db2.gz CBUWKDAANDXHEI-KRWDZBQOSA-N 1 0 357.429 2.995 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000160032719 508928328 /nfs/dbraw/zinc/92/83/28/508928328.db2.gz LSKJWBCYEMWKTE-UHFFFAOYSA-N 1 0 371.525 2.892 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1cccc(OC)c1 ZINC000160044651 508929781 /nfs/dbraw/zinc/92/97/81/508929781.db2.gz NOYZCVNTUCWTKR-AZUAARDMSA-N 1 0 363.502 2.635 20 70 FFIDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2noc(C3CCCCC3)n2)CC1 ZINC000160080690 508935677 /nfs/dbraw/zinc/93/56/77/508935677.db2.gz AWWSMZANEIBIBS-SFHVURJKSA-N 1 0 361.534 2.719 20 70 FFIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160125330 508942134 /nfs/dbraw/zinc/94/21/34/508942134.db2.gz XZMKJONYIWSVPS-CYBMUJFWSA-N 1 0 369.282 2.895 20 70 FFIDRO C[C@@H](CNC(=O)C1(c2cccs2)CCCCC1)C[NH+]1CCN(C)CC1 ZINC000160107221 508939861 /nfs/dbraw/zinc/93/98/61/508939861.db2.gz DTWKUGGWOJABIR-KRWDZBQOSA-N 1 0 363.571 2.950 20 70 FFIDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000160126837 508941895 /nfs/dbraw/zinc/94/18/95/508941895.db2.gz LLGUVEGQSBNOBX-GOSISDBHSA-N 1 0 353.466 2.661 20 70 FFIDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000160128854 508942689 /nfs/dbraw/zinc/94/26/89/508942689.db2.gz PMXPZBSEVIWQRS-AWEZNQCLSA-N 1 0 352.360 2.715 20 70 FFIDRO O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000160150787 508946291 /nfs/dbraw/zinc/94/62/91/508946291.db2.gz TYFRMARVUYIZQM-HNNXBMFYSA-N 1 0 354.372 2.667 20 70 FFIDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)c1C ZINC000160158050 508947442 /nfs/dbraw/zinc/94/74/42/508947442.db2.gz JBZAPJXWTDSVGU-QGZVFWFLSA-N 1 0 366.527 2.951 20 70 FFIDRO C[C@H](CSc1ccc(F)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160183508 508950782 /nfs/dbraw/zinc/95/07/82/508950782.db2.gz SHMAHDVHWBZLJK-ZBFHGGJFSA-N 1 0 354.491 2.517 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCc2n[nH]cc2C1)c1ccsc1 ZINC000160214460 508955291 /nfs/dbraw/zinc/95/52/91/508955291.db2.gz NTGMSXZQYFNTAJ-DOTOQJQBSA-N 1 0 361.515 2.711 20 70 FFIDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CC[C@H](O)CC3)c(C)c2)CC1 ZINC000160253199 508960671 /nfs/dbraw/zinc/96/06/71/508960671.db2.gz RVYVQUKEQIXXHL-MAEOIBBWSA-N 1 0 360.502 2.562 20 70 FFIDRO O=C(Cc1cccc2cccnc21)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160260303 508961873 /nfs/dbraw/zinc/96/18/73/508961873.db2.gz MNYFJQJHKWPWTQ-VQTJNVASSA-N 1 0 367.493 2.661 20 70 FFIDRO CC[C@H](Oc1ccccc1F)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000160265078 508962431 /nfs/dbraw/zinc/96/24/31/508962431.db2.gz PTIAEMJMPVJPNY-KRWDZBQOSA-N 1 0 366.477 2.800 20 70 FFIDRO Cc1ccc(C)c(OCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160272076 508963301 /nfs/dbraw/zinc/96/33/01/508963301.db2.gz DJOJDVLZLYIRKI-PMACEKPBSA-N 1 0 374.525 2.956 20 70 FFIDRO CCN1CC[NH+](CCCCNC(=O)NCC2CCC(C)(C)CC2)CC1 ZINC000160271774 508963580 /nfs/dbraw/zinc/96/35/80/508963580.db2.gz ATHQSMXRSPZOEF-UHFFFAOYSA-N 1 0 352.567 2.920 20 70 FFIDRO O=C(CSCc1ccc(Cl)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160277161 508963868 /nfs/dbraw/zinc/96/38/68/508963868.db2.gz WDTCZPFQCVHOQM-MRXNPFEDSA-N 1 0 356.919 2.536 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)NC[C@H](O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160322713 508970021 /nfs/dbraw/zinc/97/00/21/508970021.db2.gz XAQVWFAOFBYNBM-JRGCBEDISA-N 1 0 367.493 2.552 20 70 FFIDRO CC(C)(C)c1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000160328997 508971676 /nfs/dbraw/zinc/97/16/76/508971676.db2.gz GDLLRTYCYXLUCF-GJZGRUSLSA-N 1 0 365.543 2.938 20 70 FFIDRO C[C@@H](CCOc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160335799 508972640 /nfs/dbraw/zinc/97/26/40/508972640.db2.gz NQLWSDFKQBPJNO-WMQCIHAUSA-N 1 0 374.525 2.976 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](C2CCCCC2)N(C)C)cc1 ZINC000160419256 508984563 /nfs/dbraw/zinc/98/45/63/508984563.db2.gz KCKHLAUTHBYSIC-BEFAXECRSA-N 1 0 367.559 2.756 20 70 FFIDRO Cc1ccc(O[C@H](C)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160428094 508984977 /nfs/dbraw/zinc/98/49/77/508984977.db2.gz PPNQIFGKZKKCAH-AHRSYUTCSA-N 1 0 360.498 2.646 20 70 FFIDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160444097 508987386 /nfs/dbraw/zinc/98/73/86/508987386.db2.gz DZSYGDWZYYOOCH-IEBWSBKVSA-N 1 0 363.477 2.857 20 70 FFIDRO C[C@@H](CNC(=O)CCc1cc2ccccc2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000160460873 508989858 /nfs/dbraw/zinc/98/98/58/508989858.db2.gz SPNPDWZYWBIIBU-CVEARBPZSA-N 1 0 355.482 2.697 20 70 FFIDRO Cc1noc(C)c1[C@H](C)CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160475660 508992273 /nfs/dbraw/zinc/99/22/73/508992273.db2.gz VGHROVGWHBCHPR-BVGQSLNGSA-N 1 0 363.502 2.669 20 70 FFIDRO Cc1cc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(-c2ccncc2)n1 ZINC000160484548 508994126 /nfs/dbraw/zinc/99/41/26/508994126.db2.gz DDMUANSQGLENTF-SCTDSRPQSA-N 1 0 367.497 2.925 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C ZINC000160539321 509000322 /nfs/dbraw/zinc/00/03/22/509000322.db2.gz RPOYUYJVBCEUQN-UHFFFAOYSA-N 1 0 353.829 2.616 20 70 FFIDRO O=C(CCc1cc(F)ccc1F)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160544258 509000673 /nfs/dbraw/zinc/00/06/73/509000673.db2.gz QPGNQWXTDCMADZ-MOPGFXCFSA-N 1 0 366.452 2.782 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1coc(Br)c1 ZINC000160600255 509008592 /nfs/dbraw/zinc/00/85/92/509008592.db2.gz NDPWIKGAXSAZSU-KBPBESRZSA-N 1 0 371.275 2.540 20 70 FFIDRO CC(C)(O)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000160622544 509011793 /nfs/dbraw/zinc/01/17/93/509011793.db2.gz LRNDVZZRHDAKJU-GFCCVEGCSA-N 1 0 361.223 2.865 20 70 FFIDRO C[C@H](Oc1ccccc1Br)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160632952 509012211 /nfs/dbraw/zinc/01/22/11/509012211.db2.gz IWPLYGQWUPZOSN-RWMBFGLXSA-N 1 0 353.260 2.569 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(C(F)(F)F)nc1 ZINC000160653465 509014668 /nfs/dbraw/zinc/01/46/68/509014668.db2.gz YWSLYUCTKPJACA-HUUCEWRRSA-N 1 0 371.403 2.598 20 70 FFIDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ncn(-c3ccccc3)n2)c1 ZINC000160664966 509016699 /nfs/dbraw/zinc/01/66/99/509016699.db2.gz ZPMLVAVFIBVANH-UHFFFAOYSA-N 1 0 363.465 2.780 20 70 FFIDRO Cc1ccc(-c2cnc(CCC(=O)NC[C@H](O)C[NH+]3CCCCC3)o2)cc1 ZINC000160671621 509017500 /nfs/dbraw/zinc/01/75/00/509017500.db2.gz NZUCIHBYIIYVFM-SFHVURJKSA-N 1 0 371.481 2.546 20 70 FFIDRO O=C(CCc1ccc(Cl)cc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160688800 509019971 /nfs/dbraw/zinc/01/99/71/509019971.db2.gz ZQKLHEOCMRUBKE-HNNXBMFYSA-N 1 0 359.297 2.889 20 70 FFIDRO COc1cccc(N2CC[NH+](Cc3cn(C)nc3-c3cccnc3)CC2)c1 ZINC000160685689 509020412 /nfs/dbraw/zinc/02/04/12/509020412.db2.gz MJEKRHIBQZTMOJ-UHFFFAOYSA-N 1 0 363.465 2.813 20 70 FFIDRO CCc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160700024 509022027 /nfs/dbraw/zinc/02/20/27/509022027.db2.gz GVNVXGSRVJPLDZ-PMACEKPBSA-N 1 0 360.498 2.512 20 70 FFIDRO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160696219 509022167 /nfs/dbraw/zinc/02/21/67/509022167.db2.gz UYTRKLUWUNOYCR-MRXNPFEDSA-N 1 0 359.514 2.820 20 70 FFIDRO CC[C@H](O)CCNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000160701079 509022532 /nfs/dbraw/zinc/02/25/32/509022532.db2.gz ODYIEXWLBXMLFJ-PKOBYXMFSA-N 1 0 363.502 2.682 20 70 FFIDRO O=C(NCC1(Cc2ccccc2)CC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160738420 509026882 /nfs/dbraw/zinc/02/68/82/509026882.db2.gz APALWMCAQIVLIY-UHFFFAOYSA-N 1 0 371.525 2.763 20 70 FFIDRO C[C@H](Oc1cccc(CO)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000160773143 509031182 /nfs/dbraw/zinc/03/11/82/509031182.db2.gz LQPHKUHCQPJARL-KRWDZBQOSA-N 1 0 368.477 2.727 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)nc2)CC1 ZINC000160788673 509033402 /nfs/dbraw/zinc/03/34/02/509033402.db2.gz SDVHHTSFKMCBTC-HZPDHXFCSA-N 1 0 372.419 2.854 20 70 FFIDRO COc1cc(N(C)C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000160855084 509040986 /nfs/dbraw/zinc/04/09/86/509040986.db2.gz HPSUYZARAOBEJJ-UONOGXRCSA-N 1 0 350.459 2.701 20 70 FFIDRO CC(C)[C@@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000160879387 509042950 /nfs/dbraw/zinc/04/29/50/509042950.db2.gz XMNRJGOBBJCJBD-YPMHNXCESA-N 1 0 363.239 2.665 20 70 FFIDRO Cc1c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cnn1C1CCOCC1 ZINC000160885438 509043414 /nfs/dbraw/zinc/04/34/14/509043414.db2.gz OXXRWNKGJNXCGJ-OAHLLOKOSA-N 1 0 362.518 2.783 20 70 FFIDRO CN(C)C(=O)Nc1cccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000160955180 509052459 /nfs/dbraw/zinc/05/24/59/509052459.db2.gz YNNWRTDQSIVALA-SFHVURJKSA-N 1 0 354.454 2.877 20 70 FFIDRO C[C@H](CNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)C[NH+]1CCCCC1 ZINC000161019466 509060761 /nfs/dbraw/zinc/06/07/61/509060761.db2.gz NRAFGPTXXQOPCT-HUUCEWRRSA-N 1 0 361.490 2.659 20 70 FFIDRO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccc(NC(N)=O)cc1 ZINC000161019338 509060972 /nfs/dbraw/zinc/06/09/72/509060972.db2.gz NRAFGPTXXQOPCT-LSDHHAIUSA-N 1 0 361.490 2.659 20 70 FFIDRO COCCC1(CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CCC1 ZINC000161092842 509070415 /nfs/dbraw/zinc/07/04/15/509070415.db2.gz CQCITZZKBVMKIC-KRWDZBQOSA-N 1 0 351.466 2.934 20 70 FFIDRO NC(=O)N1CCC([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000161143215 509077031 /nfs/dbraw/zinc/07/70/31/509077031.db2.gz RBTTZMXBRUNJEL-MRXNPFEDSA-N 1 0 368.884 2.576 20 70 FFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000161190583 509083617 /nfs/dbraw/zinc/08/36/17/509083617.db2.gz SIFKGCQDIBDRIB-YJBOKZPZSA-N 1 0 353.532 2.973 20 70 FFIDRO COc1cccc(COCCNC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000161249990 509092297 /nfs/dbraw/zinc/09/22/97/509092297.db2.gz LTAPOTIKVCYEHZ-UHFFFAOYSA-N 1 0 363.502 2.776 20 70 FFIDRO COc1cccc([C@H](O)C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000161296858 509098139 /nfs/dbraw/zinc/09/81/39/509098139.db2.gz YNVPMSWSJSFRCT-MLGOLLRUSA-N 1 0 363.845 2.784 20 70 FFIDRO CCN(C[C@H]1CCCO1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161304781 509099609 /nfs/dbraw/zinc/09/96/09/509099609.db2.gz QDWHLVUAYMJTHW-QFBILLFUSA-N 1 0 360.502 2.818 20 70 FFIDRO CCC(CC)(CNC(=O)C(=O)Nc1nocc1C)[NH2+][C@@H](C)c1ccccc1 ZINC000161304945 509099855 /nfs/dbraw/zinc/09/98/55/509099855.db2.gz OQRIMQFSDMDCPA-HNNXBMFYSA-N 1 0 372.469 2.947 20 70 FFIDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)C1 ZINC000161322325 509102265 /nfs/dbraw/zinc/10/22/65/509102265.db2.gz FQTXNLKFRZWERK-OAHLLOKOSA-N 1 0 357.454 2.553 20 70 FFIDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000161402535 509111553 /nfs/dbraw/zinc/11/15/53/509111553.db2.gz IMAIIYQYUBUXNJ-WBVHZDCISA-N 1 0 372.465 2.787 20 70 FFIDRO C[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccc2c(c1)CCCC2 ZINC000161413163 509113163 /nfs/dbraw/zinc/11/31/63/509113163.db2.gz LXBOVWLVEHZZNP-INIZCTEOSA-N 1 0 359.514 2.725 20 70 FFIDRO COCC[N@H+](C)CCNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000161452232 509116935 /nfs/dbraw/zinc/11/69/35/509116935.db2.gz AEPWARHVRIUBRF-UHFFFAOYSA-N 1 0 365.271 2.910 20 70 FFIDRO O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000161450718 509117502 /nfs/dbraw/zinc/11/75/02/509117502.db2.gz OMRLEXUFBABLIK-ICSRJNTNSA-N 1 0 366.436 2.962 20 70 FFIDRO CC1CC[NH+](C2CCC(NC(=O)c3cccc(NC(N)=O)c3)CC2)CC1 ZINC000161502938 509122915 /nfs/dbraw/zinc/12/29/15/509122915.db2.gz HPNXKCJYIKOVEH-UHFFFAOYSA-N 1 0 358.486 2.950 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000159373721 508832220 /nfs/dbraw/zinc/83/22/20/508832220.db2.gz QEFMZAQFAIBZMQ-ZMSDIMECSA-N 1 0 354.516 2.793 20 70 FFIDRO O=C(NC1CCC(C(=O)NC2CC[NH+](C3CC3)CC2)CC1)C1CCCC1 ZINC000159378546 508833322 /nfs/dbraw/zinc/83/33/22/508833322.db2.gz BVVPKORFFHDWPG-UHFFFAOYSA-N 1 0 361.530 2.595 20 70 FFIDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc2[nH]c(=O)oc21 ZINC000159395677 508835723 /nfs/dbraw/zinc/83/57/23/508835723.db2.gz CANALAKSGHEOOW-UHFFFAOYSA-N 1 0 369.396 2.655 20 70 FFIDRO CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159417922 508839326 /nfs/dbraw/zinc/83/93/26/508839326.db2.gz SUOLAVCMUWMFLN-GFCCVEGCSA-N 1 0 360.424 2.580 20 70 FFIDRO CN(C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CCCc2c1cnn2C ZINC000159436410 508841372 /nfs/dbraw/zinc/84/13/72/508841372.db2.gz IKGOWMUNVQJWDM-SFHVURJKSA-N 1 0 373.476 2.710 20 70 FFIDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3CCC(C)(C)CC3)cn2)CC1 ZINC000159461150 508845491 /nfs/dbraw/zinc/84/54/91/508845491.db2.gz HXOKRHGDKRAYJV-UHFFFAOYSA-N 1 0 373.545 2.849 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2OCC2CC2)C1 ZINC000159463559 508845588 /nfs/dbraw/zinc/84/55/88/508845588.db2.gz QVLSSQXYBICVNA-QGZVFWFLSA-N 1 0 373.497 2.508 20 70 FFIDRO CC(C)[C@H](O)C(C)(C)CNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000159492189 508849521 /nfs/dbraw/zinc/84/95/21/508849521.db2.gz NAMMOJFLMJJHFK-KRWDZBQOSA-N 1 0 353.482 2.600 20 70 FFIDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000159508389 508851596 /nfs/dbraw/zinc/85/15/96/508851596.db2.gz QKKUOJFALKBPBJ-ZDUSSCGKSA-N 1 0 366.387 2.963 20 70 FFIDRO C[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)C[C@@H]1CCC[C@@H]1O ZINC000159524915 508853000 /nfs/dbraw/zinc/85/30/00/508853000.db2.gz DXSGURALMBEWRQ-WFASDCNBSA-N 1 0 368.861 2.533 20 70 FFIDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1cscn1 ZINC000159540326 508855788 /nfs/dbraw/zinc/85/57/88/508855788.db2.gz KWPIERJVQVCUNR-KRWDZBQOSA-N 1 0 358.511 2.849 20 70 FFIDRO C[NH+]1CCC(NC(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000159568290 508859959 /nfs/dbraw/zinc/85/99/59/508859959.db2.gz HRIAPARGOXAKQY-OAHLLOKOSA-N 1 0 351.878 2.987 20 70 FFIDRO CC[NH+]1CCC(NC(=O)c2cccc(I)c2C)CC1 ZINC000159587756 508862107 /nfs/dbraw/zinc/86/21/07/508862107.db2.gz XJABJZZUIPYTMZ-UHFFFAOYSA-N 1 0 372.250 2.814 20 70 FFIDRO COc1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc(OC)c1O ZINC000159629535 508868650 /nfs/dbraw/zinc/86/86/50/508868650.db2.gz BWOQMBCMPINZBM-UHFFFAOYSA-N 1 0 362.401 2.540 20 70 FFIDRO CCCOc1cccc(CCNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000159728402 508881348 /nfs/dbraw/zinc/88/13/48/508881348.db2.gz PQWROQMOJQEADJ-FQEVSTJZSA-N 1 0 362.514 2.927 20 70 FFIDRO C[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159768964 508888187 /nfs/dbraw/zinc/88/81/87/508888187.db2.gz POOPCOPYZXOJNQ-LPHOPBHVSA-N 1 0 362.489 2.847 20 70 FFIDRO COc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1OCc1cccnc1 ZINC000159813272 508894421 /nfs/dbraw/zinc/89/44/21/508894421.db2.gz VJSVEXPMOKQDBY-UHFFFAOYSA-N 1 0 369.465 2.757 20 70 FFIDRO C[C@H](CCNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)[N@H+](C)Cc1ccccc1 ZINC000159820619 508896067 /nfs/dbraw/zinc/89/60/67/508896067.db2.gz UDGLHFLNKNJNSS-OAHLLOKOSA-N 1 0 366.465 2.507 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccc(-n2ccnn2)cc1 ZINC000159830483 508897593 /nfs/dbraw/zinc/89/75/93/508897593.db2.gz ORDQOIMWDCDZIC-OLZOCXBDSA-N 1 0 370.844 2.994 20 70 FFIDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C)cc1 ZINC000159850560 508900033 /nfs/dbraw/zinc/90/00/33/508900033.db2.gz FQJHPMUZEFYWOB-HZPDHXFCSA-N 1 0 358.486 2.675 20 70 FFIDRO COC(=O)c1oc([C@H](C)[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1C ZINC000159857834 508901659 /nfs/dbraw/zinc/90/16/59/508901659.db2.gz DGQXKHLRMULFNP-JKSUJKDBSA-N 1 0 350.459 2.622 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)c2ncn(-c3ccccc3)n2)C[N@@H+]1Cc1ccccc1 ZINC000159869614 508903320 /nfs/dbraw/zinc/90/33/20/508903320.db2.gz QMSZUEKUKPGJCQ-SJLPKXTDSA-N 1 0 361.449 2.660 20 70 FFIDRO C[NH+](C)CCCC1CCN(C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000159886150 508906564 /nfs/dbraw/zinc/90/65/64/508906564.db2.gz LRPDWAWVYCXVFV-UHFFFAOYSA-N 1 0 366.550 2.543 20 70 FFIDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159895669 508907828 /nfs/dbraw/zinc/90/78/28/508907828.db2.gz HGKMDPYMSJKLEU-KBXCAEBGSA-N 1 0 365.412 2.863 20 70 FFIDRO CC[C@@H]1CN(CCc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000159916557 508911113 /nfs/dbraw/zinc/91/11/13/508911113.db2.gz KCDWMFTVHDIRGE-GDBMZVCRSA-N 1 0 360.420 2.905 20 70 FFIDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCCCSC)cc2)CC1 ZINC000159916204 508911133 /nfs/dbraw/zinc/91/11/33/508911133.db2.gz CEUJTDCUEWBHTC-UHFFFAOYSA-N 1 0 363.571 2.974 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000159930020 508913619 /nfs/dbraw/zinc/91/36/19/508913619.db2.gz VDUHASGXDIAAAH-CQSZACIVSA-N 1 0 373.457 2.543 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000159929819 508913650 /nfs/dbraw/zinc/91/36/50/508913650.db2.gz SVNUVJJPUNXJDP-SJORKVTESA-N 1 0 363.465 2.665 20 70 FFIDRO CCCCOc1ccc(CNC(=O)[C@@H]2CCn3ccnc3C2)cc1OC ZINC000159942044 508915293 /nfs/dbraw/zinc/91/52/93/508915293.db2.gz IDHDSKUAAYABBL-MRXNPFEDSA-N 1 0 357.454 2.949 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2nccn2CCCc2ccccc2)CC1 ZINC000159958870 508917288 /nfs/dbraw/zinc/91/72/88/508917288.db2.gz OYPZCMQQRCFAST-UHFFFAOYSA-N 1 0 369.513 2.753 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(N(C)C)nc2)C[N@@H+]1Cc1ccccc1 ZINC000159962816 508918473 /nfs/dbraw/zinc/91/84/73/508918473.db2.gz JNSSFICMVIBDLU-QAPCUYQASA-N 1 0 353.470 2.932 20 70 FFIDRO C[C@H]1C[C@H](NC(=O)N2CCC(n3ccnc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000159987517 508920936 /nfs/dbraw/zinc/92/09/36/508920936.db2.gz RXZCFQMVPXQBSV-HKUYNNGSSA-N 1 0 367.497 2.893 20 70 FFIDRO CCC1(CO)CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159995654 508922813 /nfs/dbraw/zinc/92/28/13/508922813.db2.gz MFSFYXCMTDKDGX-HKUYNNGSSA-N 1 0 359.514 2.701 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000160011861 508925132 /nfs/dbraw/zinc/92/51/32/508925132.db2.gz FIGKNPBNYKYMPZ-INIZCTEOSA-N 1 0 371.456 2.828 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000160017101 508925794 /nfs/dbraw/zinc/92/57/94/508925794.db2.gz MEIZKIPQAVNAEC-UHFFFAOYSA-N 1 0 369.303 2.800 20 70 FFIDRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC(=O)C[C@@H]3C)cc2)CC1 ZINC000160020837 508926724 /nfs/dbraw/zinc/92/67/24/508926724.db2.gz FQSGIFZQQJREJO-JXFKEZNVSA-N 1 0 357.498 2.768 20 70 FFIDRO CSCC[C@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000160052066 508930507 /nfs/dbraw/zinc/93/05/07/508930507.db2.gz HZYKHPHXLTUASE-ZDUSSCGKSA-N 1 0 357.317 2.677 20 70 FFIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCOc1ccc(F)cc1F ZINC000160081320 508935624 /nfs/dbraw/zinc/93/56/24/508935624.db2.gz KJURHRGJEAMOJB-JTQLQIEISA-N 1 0 360.202 2.981 20 70 FFIDRO C[C@H]1C[C@@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C[N@@H+]1Cc1ccccc1 ZINC000160079711 508936134 /nfs/dbraw/zinc/93/61/34/508936134.db2.gz KEWKOVUZFBCNCV-DZLUEKEQSA-N 1 0 365.477 2.607 20 70 FFIDRO O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000160151642 508945851 /nfs/dbraw/zinc/94/58/51/508945851.db2.gz QZDSWYWSHWYABS-LBPRGKRZSA-N 1 0 354.372 2.525 20 70 FFIDRO C[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC000160156731 508946866 /nfs/dbraw/zinc/94/68/66/508946866.db2.gz VSXBZEACNREUBB-RDJZCZTQSA-N 1 0 364.511 2.649 20 70 FFIDRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000160160159 508947561 /nfs/dbraw/zinc/94/75/61/508947561.db2.gz VTYZXOKVOCIPLT-HUUCEWRRSA-N 1 0 371.447 2.636 20 70 FFIDRO COc1ccc(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160173279 508949946 /nfs/dbraw/zinc/94/99/46/508949946.db2.gz SHHCUXHUQQDJFE-UXHICEINSA-N 1 0 360.498 2.512 20 70 FFIDRO CCCC1(CNC(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)CCC1 ZINC000160187159 508951205 /nfs/dbraw/zinc/95/12/05/508951205.db2.gz AFEBUZHPKJZWOM-UHFFFAOYSA-N 1 0 373.545 2.993 20 70 FFIDRO O=C(CCCOCc1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160200410 508953758 /nfs/dbraw/zinc/95/37/58/508953758.db2.gz GVECQACERASDRA-SFTDATJTSA-N 1 0 374.525 2.868 20 70 FFIDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000160207823 508954380 /nfs/dbraw/zinc/95/43/80/508954380.db2.gz CBVRQGGOOWMJKQ-MOPGFXCFSA-N 1 0 360.498 2.566 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCc2n[nH]cc2C1)c1ccsc1 ZINC000160214323 508954924 /nfs/dbraw/zinc/95/49/24/508954924.db2.gz NTGMSXZQYFNTAJ-RDJZCZTQSA-N 1 0 361.515 2.711 20 70 FFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc2nnc(C(F)F)n2n1 ZINC000160215913 508955093 /nfs/dbraw/zinc/95/50/93/508955093.db2.gz WMXZTWUIVGTTIP-JSGCOSHPSA-N 1 0 358.396 2.994 20 70 FFIDRO O=C(CCC(=O)c1cccs1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160238389 508958341 /nfs/dbraw/zinc/95/83/41/508958341.db2.gz BBNYAKQXYPLUIF-CVEARBPZSA-N 1 0 364.511 2.595 20 70 FFIDRO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000160245074 508959976 /nfs/dbraw/zinc/95/99/76/508959976.db2.gz VZGJZBRBPCROAU-XLIONFOSSA-N 1 0 371.525 2.588 20 70 FFIDRO CC(C)c1nc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000160289485 508965465 /nfs/dbraw/zinc/96/54/65/508965465.db2.gz IYRKCMJWZBOVRN-HOTGVXAUSA-N 1 0 351.516 2.764 20 70 FFIDRO CC(C)(C)c1ncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000160328884 508971670 /nfs/dbraw/zinc/97/16/70/508971670.db2.gz GDLLRTYCYXLUCF-CABCVRRESA-N 1 0 365.543 2.938 20 70 FFIDRO CC(C)Oc1ccccc1CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160361682 508975829 /nfs/dbraw/zinc/97/58/29/508975829.db2.gz CSAPDGMYFMWXEO-VQTJNVASSA-N 1 0 374.525 2.900 20 70 FFIDRO CCOc1ccc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160366918 508977134 /nfs/dbraw/zinc/97/71/34/508977134.db2.gz DDJZIOFUBFEMNQ-VQTJNVASSA-N 1 0 360.498 2.512 20 70 FFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000160376601 508978858 /nfs/dbraw/zinc/97/88/58/508978858.db2.gz FYXZHFVXCNOVLA-SECBINFHSA-N 1 0 364.614 2.508 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000160414547 508983726 /nfs/dbraw/zinc/98/37/26/508983726.db2.gz WGRUTMFINPNAIT-IERDGZPVSA-N 1 0 359.514 2.606 20 70 FFIDRO Cc1ccc(C)c(OCCCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160448069 508988198 /nfs/dbraw/zinc/98/81/98/508988198.db2.gz JJOPIYBDLDCEGU-IBGZPJMESA-N 1 0 362.514 2.816 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC2CC2)cc1 ZINC000160475191 508992596 /nfs/dbraw/zinc/99/25/96/508992596.db2.gz ZKMUIVWHVSMBPT-RTWAWAEBSA-N 1 0 372.509 2.973 20 70 FFIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160513347 508997424 /nfs/dbraw/zinc/99/74/24/508997424.db2.gz MXZJWOLEVREPFF-QGZVFWFLSA-N 1 0 356.474 2.868 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C2SCCS2)cc1 ZINC000160530388 508998664 /nfs/dbraw/zinc/99/86/64/508998664.db2.gz XEHCZHOZGCSUNQ-INIZCTEOSA-N 1 0 366.552 2.742 20 70 FFIDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCOCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000160541204 509000757 /nfs/dbraw/zinc/00/07/57/509000757.db2.gz BTFGKZCLEKCCAK-WMZOPIPTSA-N 1 0 365.905 2.982 20 70 FFIDRO O=C(C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)NCC(F)(F)F ZINC000160546411 509001231 /nfs/dbraw/zinc/00/12/31/509001231.db2.gz PPFJIKUXVGWFQR-UHFFFAOYSA-N 1 0 363.811 2.573 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000160550557 509002192 /nfs/dbraw/zinc/00/21/92/509002192.db2.gz BBPBRGCQQCIJAD-HNNXBMFYSA-N 1 0 356.474 2.582 20 70 FFIDRO COc1cc(C)c(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1OC ZINC000160558076 509002905 /nfs/dbraw/zinc/00/29/05/509002905.db2.gz ONZSAGRGKKIFGM-UHFFFAOYSA-N 1 0 359.470 2.581 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1coc(Br)c1 ZINC000160600119 509008375 /nfs/dbraw/zinc/00/83/75/509008375.db2.gz NDPWIKGAXSAZSU-KGLIPLIRSA-N 1 0 371.275 2.540 20 70 FFIDRO C[C@@H](CNC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C[NH+]1CCCC1 ZINC000160609634 509010252 /nfs/dbraw/zinc/01/02/52/509010252.db2.gz GANUWGINCTZBKD-IVMQYODDSA-N 1 0 363.546 2.700 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1csc(CCc2ccccc2)n1 ZINC000160656983 509015363 /nfs/dbraw/zinc/01/53/63/509015363.db2.gz CAFWFTWMYCJPMH-QGZVFWFLSA-N 1 0 373.522 2.505 20 70 FFIDRO Cc1cc(S(C)(=O)=O)cc(C(=O)NCC[N@@H+](C)C2CCCCC2)c1C ZINC000160655128 509015484 /nfs/dbraw/zinc/01/54/84/509015484.db2.gz HRRXJROJTUODDP-UHFFFAOYSA-N 1 0 366.527 2.701 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN3CCC(CC[NH+](C)C)CC3)c2c1 ZINC000160664724 509016531 /nfs/dbraw/zinc/01/65/31/509016531.db2.gz RSDYJUIOQYZADG-UHFFFAOYSA-N 1 0 371.481 2.801 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2OCc2cn3cccc(C)c3n2)C1 ZINC000160688737 509020252 /nfs/dbraw/zinc/02/02/52/509020252.db2.gz LHWVBYMKAMPXAM-MRXNPFEDSA-N 1 0 364.449 2.656 20 70 FFIDRO O=C(CCc1ccc(Cl)cc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160688928 509020566 /nfs/dbraw/zinc/02/05/66/509020566.db2.gz ZQKLHEOCMRUBKE-OAHLLOKOSA-N 1 0 359.297 2.889 20 70 FFIDRO Cc1cccc(OCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160689948 509021155 /nfs/dbraw/zinc/02/11/55/509021155.db2.gz OPCZLHUMYDUDSO-VQTJNVASSA-N 1 0 360.498 2.648 20 70 FFIDRO O=C([C@H]1C[C@@H]1c1cccc(F)c1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160734110 509026076 /nfs/dbraw/zinc/02/60/76/509026076.db2.gz FEUNYJCLWBNHKF-SJORKVTESA-N 1 0 364.436 2.639 20 70 FFIDRO Cc1ccc2c(c1)[C@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)CO2 ZINC000160732972 509026205 /nfs/dbraw/zinc/02/62/05/509026205.db2.gz MNRYHDGSUOFZGZ-PKOBYXMFSA-N 1 0 353.466 2.901 20 70 FFIDRO Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000160745608 509027617 /nfs/dbraw/zinc/02/76/17/509027617.db2.gz NPKBAJSLYVUJGL-HNNXBMFYSA-N 1 0 371.506 2.636 20 70 FFIDRO Cc1cc(C[C@H](C)NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[nH]n1 ZINC000160752293 509028765 /nfs/dbraw/zinc/02/87/65/509028765.db2.gz KDFCTERDZLHJID-INIZCTEOSA-N 1 0 361.534 2.947 20 70 FFIDRO CC1CC[NH+]([C@H](CNC(=O)c2cccc(=O)n2C)c2ccccc2)CC1 ZINC000160775399 509031170 /nfs/dbraw/zinc/03/11/70/509031170.db2.gz KOTBQYLYXLFFQM-LJQANCHMSA-N 1 0 353.466 2.588 20 70 FFIDRO CC(C)(C)C1CCC(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000160860137 509040535 /nfs/dbraw/zinc/04/05/35/509040535.db2.gz VFYSCJDJQBYXTL-LXPRWKDFSA-N 1 0 365.562 2.933 20 70 FFIDRO C[NH+](C)CC1CCC(NC(=O)N2CCC(C3CCOCC3)CC2)CC1 ZINC000160924633 509048833 /nfs/dbraw/zinc/04/88/33/509048833.db2.gz FYVDKEKSGOHTGE-UHFFFAOYSA-N 1 0 351.535 2.955 20 70 FFIDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCCn2cccn2)CC1 ZINC000160933383 509050094 /nfs/dbraw/zinc/05/00/94/509050094.db2.gz ROFCTEROPDBMTG-SFHVURJKSA-N 1 0 361.534 2.959 20 70 FFIDRO COC(=O)c1csc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000160933609 509050285 /nfs/dbraw/zinc/05/02/85/509050285.db2.gz SNQLILATDFJQGN-UHFFFAOYSA-N 1 0 359.451 2.715 20 70 FFIDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cnn(C)c1 ZINC000160941174 509050859 /nfs/dbraw/zinc/05/08/59/509050859.db2.gz AYRMVWBJDMVQTP-XHSDSOJGSA-N 1 0 356.470 2.520 20 70 FFIDRO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H](O)Cc1ccccc1 ZINC000160963567 509054416 /nfs/dbraw/zinc/05/44/16/509054416.db2.gz LPNPVGWECXRHLL-YTQUADARSA-N 1 0 371.481 2.708 20 70 FFIDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160977087 509055799 /nfs/dbraw/zinc/05/57/99/509055799.db2.gz ZHZLVAPRTCLANB-DLBZAZTESA-N 1 0 366.465 2.676 20 70 FFIDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc2c(s1)CCCC2 ZINC000160980666 509056547 /nfs/dbraw/zinc/05/65/47/509056547.db2.gz DIYCKDKQVNCQCT-ZDUSSCGKSA-N 1 0 371.506 2.693 20 70 FFIDRO C[C@]1(n2cc(C[NH2+][C@H]3CCCc4sccc43)cn2)CCS(=O)(=O)C1 ZINC000160985476 509057316 /nfs/dbraw/zinc/05/73/16/509057316.db2.gz KTMSNMBFRKDLIA-RDJZCZTQSA-N 1 0 365.524 2.646 20 70 FFIDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(F)cc1F ZINC000161018693 509060513 /nfs/dbraw/zinc/06/05/13/509060513.db2.gz VRDRKKWXOOEZBD-PRHODGIISA-N 1 0 367.318 2.782 20 70 FFIDRO C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(NC(N)=O)cc1 ZINC000161020542 509061017 /nfs/dbraw/zinc/06/10/17/509061017.db2.gz CECWFZQHERJVPK-RDTXWAMCSA-N 1 0 369.469 2.840 20 70 FFIDRO CC(C)(C)OC1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000161024445 509061698 /nfs/dbraw/zinc/06/16/98/509061698.db2.gz PZORFTYCBAEBSY-HXUWFJFHSA-N 1 0 374.525 2.991 20 70 FFIDRO C[N@H+](CCCO)C1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000161036500 509063064 /nfs/dbraw/zinc/06/30/64/509063064.db2.gz UFGDVJZGJHIJAZ-UHFFFAOYSA-N 1 0 362.514 2.921 20 70 FFIDRO COC[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)C1CC1 ZINC000161043088 509063639 /nfs/dbraw/zinc/06/36/39/509063639.db2.gz CSNWPGPNUQBANJ-INIZCTEOSA-N 1 0 369.303 2.812 20 70 FFIDRO CC[NH+](CC)CCNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000161072282 509067431 /nfs/dbraw/zinc/06/74/31/509067431.db2.gz BRSZSIAYIDLLPI-UHFFFAOYSA-N 1 0 374.279 2.930 20 70 FFIDRO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc(OC)c1O ZINC000161090618 509069310 /nfs/dbraw/zinc/06/93/10/509069310.db2.gz JELPCDOUPSLQSM-KRWDZBQOSA-N 1 0 370.449 2.976 20 70 FFIDRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161139739 509076688 /nfs/dbraw/zinc/07/66/88/509076688.db2.gz CZWXAGLZZNWYJU-BBWFWOEESA-N 1 0 363.527 2.779 20 70 FFIDRO CCS(=O)(=O)c1ccc(CCC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000161176366 509081472 /nfs/dbraw/zinc/08/14/72/509081472.db2.gz HLNBKUVPUVLKHM-KRWDZBQOSA-N 1 0 368.543 2.505 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](CO)c2ccccc2)CC1 ZINC000161181719 509081952 /nfs/dbraw/zinc/08/19/52/509081952.db2.gz UYNBVLAASKPOCE-UZLBHIALSA-N 1 0 368.481 2.640 20 70 FFIDRO COc1cccc(NC(=O)[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccccc2)c1 ZINC000161204463 509085956 /nfs/dbraw/zinc/08/59/56/509085956.db2.gz YUVURDVPOIAVAB-PXNSSMCTSA-N 1 0 367.449 2.585 20 70 FFIDRO CCN(c1ccccc1)c1ccc(CNC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000161210865 509086771 /nfs/dbraw/zinc/08/67/71/509086771.db2.gz RQPWMINUFRMGAR-FQEVSTJZSA-N 1 0 353.466 2.839 20 70 FFIDRO C[C@@H](CC(=O)NCCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000161305138 509100074 /nfs/dbraw/zinc/10/00/74/509100074.db2.gz WNDKUBJQLSAPKS-HOTGVXAUSA-N 1 0 358.461 2.696 20 70 FFIDRO C[C@]1(O)CCCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000161338015 509103462 /nfs/dbraw/zinc/10/34/62/509103462.db2.gz QRLLGYGABZPBNB-YJBOKZPZSA-N 1 0 351.516 2.517 20 70 FFIDRO COc1cc(F)c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC000161392257 509110807 /nfs/dbraw/zinc/11/08/07/509110807.db2.gz SWISWUPLYIRCFU-ZDUSSCGKSA-N 1 0 352.431 2.937 20 70 FFIDRO Cc1cc(C[C@@H](C)NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)[nH]n1 ZINC000161418348 509114272 /nfs/dbraw/zinc/11/42/72/509114272.db2.gz ZHILGWSXXMXNRA-CQSZACIVSA-N 1 0 358.511 2.628 20 70 FFIDRO COc1ccc([C@@H](CCO)[NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000161434846 509115583 /nfs/dbraw/zinc/11/55/83/509115583.db2.gz QRVLIGYCEPDPLK-LJQANCHMSA-N 1 0 362.514 2.993 20 70 FFIDRO CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1c(C)nn(C)c1C ZINC000161503189 509122363 /nfs/dbraw/zinc/12/23/63/509122363.db2.gz AQQJAAIRXUZWLG-SJKOYZFVSA-N 1 0 364.515 2.747 20 70 FFIDRO COc1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)nn1 ZINC000159370978 508832675 /nfs/dbraw/zinc/83/26/75/508832675.db2.gz NGTVVJBOHBAZMW-UHFFFAOYSA-N 1 0 374.872 2.877 20 70 FFIDRO CN(C)c1cccc(CN(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000159392340 508836123 /nfs/dbraw/zinc/83/61/23/508836123.db2.gz STQLCAOIDIKVQM-NRFANRHFSA-N 1 0 368.525 2.604 20 70 FFIDRO CC1CC[NH+](CCCCNC(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000159406851 508837547 /nfs/dbraw/zinc/83/75/47/508837547.db2.gz XGZCFRBKLHBTEL-UHFFFAOYSA-N 1 0 357.498 2.821 20 70 FFIDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1Cl ZINC000159430163 508840441 /nfs/dbraw/zinc/84/04/41/508840441.db2.gz XQZGKWMQMSGLLA-CQSZACIVSA-N 1 0 351.878 2.681 20 70 FFIDRO CN(C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCCc2c1cnn2C ZINC000159436284 508841599 /nfs/dbraw/zinc/84/15/99/508841599.db2.gz IKGOWMUNVQJWDM-GOSISDBHSA-N 1 0 373.476 2.710 20 70 FFIDRO C[N@H+](CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)[C@H]1CCSC1 ZINC000159436368 508841702 /nfs/dbraw/zinc/84/17/02/508841702.db2.gz YQVXVZQSZXLRQE-HNNXBMFYSA-N 1 0 358.511 2.706 20 70 FFIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000159442567 508843185 /nfs/dbraw/zinc/84/31/85/508843185.db2.gz QHEZHRVNAWFGLF-HUUCEWRRSA-N 1 0 359.470 2.619 20 70 FFIDRO CC(C)[NH2+]CCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159506099 508851650 /nfs/dbraw/zinc/85/16/50/508851650.db2.gz SWHJBTONOJQAIJ-IBGZPJMESA-N 1 0 353.466 2.741 20 70 FFIDRO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)ccc1OCc1ccncc1 ZINC000159537577 508854287 /nfs/dbraw/zinc/85/42/87/508854287.db2.gz GUGFRLWHLMOTCU-QAPCUYQASA-N 1 0 369.465 2.755 20 70 FFIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000159553415 508857846 /nfs/dbraw/zinc/85/78/46/508857846.db2.gz FYAZPWUFGPOKLS-MRXNPFEDSA-N 1 0 353.894 2.985 20 70 FFIDRO C[NH+]1CCC(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000159566038 508859507 /nfs/dbraw/zinc/85/95/07/508859507.db2.gz ZUKOIUZIPNVOFT-UHFFFAOYSA-N 1 0 370.419 2.631 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000159579831 508861304 /nfs/dbraw/zinc/86/13/04/508861304.db2.gz HTTAOGRODADMSB-UHFFFAOYSA-N 1 0 359.392 2.865 20 70 FFIDRO COc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1OCc1cccnc1 ZINC000159643641 508870608 /nfs/dbraw/zinc/87/06/08/508870608.db2.gz NAYYFOIBYPHXFX-CRAIPNDOSA-N 1 0 369.465 2.755 20 70 FFIDRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2C)c1 ZINC000159652459 508870926 /nfs/dbraw/zinc/87/09/26/508870926.db2.gz TYPGGDHTNDNPSB-MRXNPFEDSA-N 1 0 362.495 2.771 20 70 FFIDRO CCC[C@H]1CN(C(=O)Nc2cc(F)c(OC)c(F)c2)CC[N@@H+]1CCOC ZINC000159736933 508882560 /nfs/dbraw/zinc/88/25/60/508882560.db2.gz CZVPDYARQLKAPX-AWEZNQCLSA-N 1 0 371.428 2.938 20 70 FFIDRO Cn1nccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159760871 508886415 /nfs/dbraw/zinc/88/64/15/508886415.db2.gz SCEBLSCWOFELKY-UYAOXDASSA-N 1 0 367.497 2.616 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000159770761 508888919 /nfs/dbraw/zinc/88/89/19/508888919.db2.gz CFZFJKRAMQFCNO-MRXNPFEDSA-N 1 0 358.486 2.612 20 70 FFIDRO C[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C[C@H]1CCC[C@@H]1O ZINC000159782396 508889963 /nfs/dbraw/zinc/88/99/63/508889963.db2.gz JAYRYCRYBXXEKQ-YGRLFVJLSA-N 1 0 370.375 2.613 20 70 FFIDRO CN(C)[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccco1 ZINC000159782753 508890570 /nfs/dbraw/zinc/89/05/70/508890570.db2.gz GQGHHSSNVUVBDH-KRWDZBQOSA-N 1 0 350.507 2.646 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C)nc1)c1ccccc1 ZINC000159802858 508893402 /nfs/dbraw/zinc/89/34/02/508893402.db2.gz TYENMQMBICTLDX-SFHVURJKSA-N 1 0 354.454 2.528 20 70 FFIDRO Cc1c(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cnn1C ZINC000159816100 508895090 /nfs/dbraw/zinc/89/50/90/508895090.db2.gz QOJVETIXXJHCJA-INIZCTEOSA-N 1 0 369.513 2.960 20 70 FFIDRO C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)N1CCc2ccccc2C1 ZINC000159831074 508897932 /nfs/dbraw/zinc/89/79/32/508897932.db2.gz IYRNKFJDIZTVSU-SJORKVTESA-N 1 0 362.481 2.760 20 70 FFIDRO CCCCn1ncc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1C ZINC000159870507 508903030 /nfs/dbraw/zinc/90/30/30/508903030.db2.gz YIXGHMHJWJELAR-KRWDZBQOSA-N 1 0 363.506 2.568 20 70 FFIDRO CCC(CC)(CNC(=O)N[C@@H]1CCC(=O)N(C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000159879659 508905081 /nfs/dbraw/zinc/90/50/81/508905081.db2.gz SCYFZYXYQOWFMJ-FUHWJXTLSA-N 1 0 374.529 2.816 20 70 FFIDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2nnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000159887892 508906494 /nfs/dbraw/zinc/90/64/94/508906494.db2.gz VPEACBJPBPZKEI-WBVHZDCISA-N 1 0 371.485 2.651 20 70 FFIDRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H](C)c2cccnc2)CC1 ZINC000159905737 508909075 /nfs/dbraw/zinc/90/90/75/508909075.db2.gz AGWLIDAXQMSMOI-QGZVFWFLSA-N 1 0 362.518 2.923 20 70 FFIDRO CC(C)c1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c2ccccc2n1 ZINC000159922883 508911845 /nfs/dbraw/zinc/91/18/45/508911845.db2.gz GIKYLXCXSHNQPS-INIZCTEOSA-N 1 0 355.482 2.935 20 70 FFIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc(Br)cc1 ZINC000160016567 508925932 /nfs/dbraw/zinc/92/59/32/508925932.db2.gz KSFHGPQOSPBRJT-ZENOOKHLSA-N 1 0 353.260 2.920 20 70 FFIDRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCC(=O)C[C@H]3C)cc2)CC1 ZINC000160020881 508926576 /nfs/dbraw/zinc/92/65/76/508926576.db2.gz FQSGIFZQQJREJO-OXQOHEQNSA-N 1 0 357.498 2.768 20 70 FFIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000160122728 508941286 /nfs/dbraw/zinc/94/12/86/508941286.db2.gz ZRCYXOYHTMDMPK-IRXDYDNUSA-N 1 0 368.472 2.549 20 70 FFIDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1 ZINC000160140287 508944415 /nfs/dbraw/zinc/94/44/15/508944415.db2.gz ODWYEJTXMBOMEM-OAHLLOKOSA-N 1 0 354.433 2.584 20 70 FFIDRO CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000160169541 508949250 /nfs/dbraw/zinc/94/92/50/508949250.db2.gz GJCBJXPVTGWSNJ-KRWDZBQOSA-N 1 0 350.484 2.528 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1Cl ZINC000160183532 508950639 /nfs/dbraw/zinc/95/06/39/508950639.db2.gz OYXGKPOQIIBBTR-SJORKVTESA-N 1 0 354.853 2.977 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1Cl ZINC000160183955 508950821 /nfs/dbraw/zinc/95/08/21/508950821.db2.gz OYXGKPOQIIBBTR-DLBZAZTESA-N 1 0 354.853 2.977 20 70 FFIDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CCCOC(C)C)C2)cc1 ZINC000160186747 508951584 /nfs/dbraw/zinc/95/15/84/508951584.db2.gz JVVGVORWQBFPNM-SFHVURJKSA-N 1 0 368.543 2.800 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)CN1CCc2cc(F)ccc2C1)c1ccccc1 ZINC000160226767 508956508 /nfs/dbraw/zinc/95/65/08/508956508.db2.gz NZFPIDPHDXAPNU-HXUWFJFHSA-N 1 0 355.457 2.603 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000160234079 508957517 /nfs/dbraw/zinc/95/75/17/508957517.db2.gz WOBUJIRBZCVZLY-UHFFFAOYSA-N 1 0 360.502 2.609 20 70 FFIDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)Cc1c(F)cccc1F ZINC000160229937 508957607 /nfs/dbraw/zinc/95/76/07/508957607.db2.gz LUKXQJHQPBXGMD-UHFFFAOYSA-N 1 0 354.422 2.646 20 70 FFIDRO C[C@@H]1C[NH+](CCCNC(=O)Cc2cccc(OC(F)(F)F)c2)C[C@@H](C)O1 ZINC000160270044 508962997 /nfs/dbraw/zinc/96/29/97/508962997.db2.gz DFAWGYBKJGHIKD-ZIAGYGMSSA-N 1 0 374.403 2.743 20 70 FFIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCNC(=O)C1CCCCC1 ZINC000160272119 508963370 /nfs/dbraw/zinc/96/33/70/508963370.db2.gz WVZJYYKVEKYNEC-KRWDZBQOSA-N 1 0 351.535 2.844 20 70 FFIDRO CC(C)c1nc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cs1 ZINC000160289727 508965701 /nfs/dbraw/zinc/96/57/01/508965701.db2.gz IYRKCMJWZBOVRN-JKSUJKDBSA-N 1 0 351.516 2.764 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)c(F)c(F)c1 ZINC000160298886 508966453 /nfs/dbraw/zinc/96/64/53/508966453.db2.gz PEMRWBUHBPFRNZ-HOTGVXAUSA-N 1 0 356.388 2.602 20 70 FFIDRO O=C(CC[NH+]1CCN(c2cccs2)CC1)Nc1ccc2c(c1)OCO2 ZINC000160319607 508969922 /nfs/dbraw/zinc/96/99/22/508969922.db2.gz XGWWEEZMJOKSIL-UHFFFAOYSA-N 1 0 359.451 2.628 20 70 FFIDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](CCO)CSC ZINC000160320021 508970171 /nfs/dbraw/zinc/97/01/71/508970171.db2.gz ICNQWDRUJKTQHX-YPMHNXCESA-N 1 0 360.907 2.769 20 70 FFIDRO Cc1ccc2nc(C3CC3)cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)c2c1 ZINC000160318384 508970331 /nfs/dbraw/zinc/97/03/31/508970331.db2.gz GSUZWUAGJVSEAO-KRWDZBQOSA-N 1 0 367.493 2.997 20 70 FFIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000160369007 508976747 /nfs/dbraw/zinc/97/67/47/508976747.db2.gz KLUXXMQOGSPVTM-MRXNPFEDSA-N 1 0 359.514 2.953 20 70 FFIDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cncc(-c3cccc(C)c3)c2)CC1 ZINC000160467255 508991542 /nfs/dbraw/zinc/99/15/42/508991542.db2.gz HUOSTLLXHSHTGE-GOSISDBHSA-N 1 0 366.509 2.813 20 70 FFIDRO COc1cc(OC)c([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1Cl ZINC000160525268 508998896 /nfs/dbraw/zinc/99/88/96/508998896.db2.gz VHZYRJIUIBDENF-PWSUYJOCSA-N 1 0 350.850 2.923 20 70 FFIDRO Cc1ccc(OCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1C ZINC000160541728 509000690 /nfs/dbraw/zinc/00/06/90/509000690.db2.gz VFJFZSQHYJAEBN-NHCUHLMSSA-N 1 0 374.525 2.956 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000160552173 509001956 /nfs/dbraw/zinc/00/19/56/509001956.db2.gz JZAVSTDREXXTLH-WCIQWLHISA-N 1 0 360.473 2.813 20 70 FFIDRO O=C(CCCc1cccs1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160566089 509003369 /nfs/dbraw/zinc/00/33/69/509003369.db2.gz QBCMTHWHZHOGDY-ROUUACIJSA-N 1 0 350.528 2.955 20 70 FFIDRO Cc1nc(-c2cccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)c2)cs1 ZINC000160587327 509006999 /nfs/dbraw/zinc/00/69/99/509006999.db2.gz KGQRMJNXEKZEFC-KRWDZBQOSA-N 1 0 359.495 2.695 20 70 FFIDRO C[NH+]1CCN(c2ncccc2CNC(=O)NCC2CCC(C)(C)CC2)CC1 ZINC000160615736 509010865 /nfs/dbraw/zinc/01/08/65/509010865.db2.gz BVMORWGRIVRRCX-UHFFFAOYSA-N 1 0 373.545 2.849 20 70 FFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000160619375 509011055 /nfs/dbraw/zinc/01/10/55/509011055.db2.gz UYESEAYDXSDFQM-IAGOWNOFSA-N 1 0 363.527 2.923 20 70 FFIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160628406 509012509 /nfs/dbraw/zinc/01/25/09/509012509.db2.gz HWTXDKUHSZACNA-RHSMWYFYSA-N 1 0 372.431 2.847 20 70 FFIDRO CCCOc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160672719 509017727 /nfs/dbraw/zinc/01/77/27/509017727.db2.gz DAAZGNLXCYYRFV-VQTJNVASSA-N 1 0 360.498 2.973 20 70 FFIDRO Cc1cc(C[C@H](C)NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)[nH]n1 ZINC000160680649 509019582 /nfs/dbraw/zinc/01/95/82/509019582.db2.gz DZJXJTXOKAOFRT-AWEZNQCLSA-N 1 0 359.474 2.720 20 70 FFIDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(F)cc1F ZINC000160687564 509020066 /nfs/dbraw/zinc/02/00/66/509020066.db2.gz UXIQLASRBVSJIC-MSOLQXFVSA-N 1 0 352.425 2.771 20 70 FFIDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2-c2ccccc2)CC1 ZINC000160735500 509026673 /nfs/dbraw/zinc/02/66/73/509026673.db2.gz AHFAGILRFIODMJ-UHFFFAOYSA-N 1 0 366.465 2.678 20 70 FFIDRO O=C(NC[C@@H](O)c1ccsc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000160838758 509038398 /nfs/dbraw/zinc/03/83/98/509038398.db2.gz VYARSJUGTHSLFN-QZTJIDSGSA-N 1 0 359.495 2.918 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)Cc1ccccc1 ZINC000160857040 509040580 /nfs/dbraw/zinc/04/05/80/509040580.db2.gz SOAACGLMEHVHMB-AWEZNQCLSA-N 1 0 369.391 2.740 20 70 FFIDRO O=C(c1c(F)cccc1F)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160871798 509042349 /nfs/dbraw/zinc/04/23/49/509042349.db2.gz CYKKQQBFZFKRTG-UHFFFAOYSA-N 1 0 351.441 2.599 20 70 FFIDRO CSCC[C@@H]([NH3+])C(=O)NCCCc1ccc(Br)cc1F ZINC000160885310 509043866 /nfs/dbraw/zinc/04/38/66/509043866.db2.gz OGXQJSAPMRELFF-CYBMUJFWSA-N 1 0 363.296 2.717 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000160895171 509045184 /nfs/dbraw/zinc/04/51/84/509045184.db2.gz NCLIAVAPDKHSQA-HNAYVOBHSA-N 1 0 362.495 2.759 20 70 FFIDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(NC(N)=O)cc1 ZINC000160895410 509045264 /nfs/dbraw/zinc/04/52/64/509045264.db2.gz XLLVATZFPQRNJN-XJKSGUPXSA-N 1 0 359.474 2.554 20 70 FFIDRO Cc1nc(CC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000160911807 509047115 /nfs/dbraw/zinc/04/71/15/509047115.db2.gz AKPVTMUMLZVJTB-KBPBESRZSA-N 1 0 365.543 2.650 20 70 FFIDRO CC[C@@H](CC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000160913917 509047334 /nfs/dbraw/zinc/04/73/34/509047334.db2.gz ZUQIYJDCWNDBBD-KRWDZBQOSA-N 1 0 361.530 2.721 20 70 FFIDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160966354 509053993 /nfs/dbraw/zinc/05/39/93/509053993.db2.gz IWBRGTNBHQQDNB-GFCCVEGCSA-N 1 0 374.510 2.641 20 70 FFIDRO CCN(C(=O)NCc1cnn(C)c1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160999230 509058364 /nfs/dbraw/zinc/05/83/64/509058364.db2.gz SOBPKETXRUTVRS-LJQANCHMSA-N 1 0 355.486 2.535 20 70 FFIDRO COC(=O)c1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1F ZINC000161063770 509066358 /nfs/dbraw/zinc/06/63/58/509066358.db2.gz BQWGNKXEIKOKPB-UHFFFAOYSA-N 1 0 351.422 2.854 20 70 FFIDRO COc1cc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1S(C)(=O)=O ZINC000161069850 509067088 /nfs/dbraw/zinc/06/70/88/509067088.db2.gz OZSZQELTTUPSJD-KBMXLJTQSA-N 1 0 354.516 2.622 20 70 FFIDRO O=C(C[NH2+]C1CCN(Cc2ccncc2)CC1)Nc1ccc(Cl)cc1 ZINC000161101619 509071754 /nfs/dbraw/zinc/07/17/54/509071754.db2.gz SLJMKUBHVIVUMV-UHFFFAOYSA-N 1 0 358.873 2.928 20 70 FFIDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)Cc2c(F)cccc2F)C1 ZINC000161136216 509076297 /nfs/dbraw/zinc/07/62/97/509076297.db2.gz QCWKTYUHCPRSQF-CYBMUJFWSA-N 1 0 360.470 2.895 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)N1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000161186707 509082675 /nfs/dbraw/zinc/08/26/75/509082675.db2.gz GYVAHFRJDJFWFO-UHFFFAOYSA-N 1 0 364.486 2.839 20 70 FFIDRO CC(C)(C)[C@H](CCO)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000161207415 509085535 /nfs/dbraw/zinc/08/55/35/509085535.db2.gz AVRMDYQFDZTIPZ-RDJZCZTQSA-N 1 0 351.491 2.903 20 70 FFIDRO C[C@@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000161214935 509087279 /nfs/dbraw/zinc/08/72/79/509087279.db2.gz MBJGXWWVYQJPII-ZDUSSCGKSA-N 1 0 359.392 2.875 20 70 FFIDRO CC(=O)NC1CCC([NH2+]CCCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000161246173 509091485 /nfs/dbraw/zinc/09/14/85/509091485.db2.gz NNQJVTIRMNNRIO-UHFFFAOYSA-N 1 0 372.557 2.544 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 ZINC000161285994 509096299 /nfs/dbraw/zinc/09/62/99/509096299.db2.gz OJTPEOAGVUQKLV-ZDUSSCGKSA-N 1 0 361.877 2.868 20 70 FFIDRO C[C@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000161359536 509106892 /nfs/dbraw/zinc/10/68/92/509106892.db2.gz OIOBWSPGKZMYPA-UWJYYQICSA-N 1 0 368.477 2.900 20 70 FFIDRO C[C@@H]1CN(Cc2cccc(C[NH2+]C3CCC4(CC3)OCCO4)c2)CCO1 ZINC000161361892 509107211 /nfs/dbraw/zinc/10/72/11/509107211.db2.gz SDSFWZKYXJODTI-QGZVFWFLSA-N 1 0 360.498 2.683 20 70 FFIDRO Cn1cnc(-c2cccc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)c2)n1 ZINC000161455497 509116957 /nfs/dbraw/zinc/11/69/57/509116957.db2.gz UVJIFOGFLCTPIM-UHFFFAOYSA-N 1 0 368.485 2.964 20 70 FFIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000161472721 509119409 /nfs/dbraw/zinc/11/94/09/509119409.db2.gz NVAKZMURFWJSOV-QGZVFWFLSA-N 1 0 368.477 2.511 20 70 FFIDRO CCOc1cc(CN2CC[NH+](CCOC)CC2)ccc1OCC(C)C ZINC000217132235 509269042 /nfs/dbraw/zinc/26/90/42/509269042.db2.gz BKICSHVXUBRYPR-UHFFFAOYSA-N 1 0 350.503 2.884 20 70 FFIDRO C[C@H](c1ccc(F)c(Cl)c1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159390930 508835298 /nfs/dbraw/zinc/83/52/98/508835298.db2.gz KCUQBVJJOXPDIV-SJKOYZFVSA-N 1 0 353.869 2.954 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000159411925 508838434 /nfs/dbraw/zinc/83/84/34/508838434.db2.gz LDEAKLBPPWQWRJ-INIZCTEOSA-N 1 0 353.466 2.872 20 70 FFIDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000159446389 508843178 /nfs/dbraw/zinc/84/31/78/508843178.db2.gz LAGNFIURDWNSNL-IEBWSBKVSA-N 1 0 367.497 2.652 20 70 FFIDRO CCN(C(=O)NCc1ccnc(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159468763 508845959 /nfs/dbraw/zinc/84/59/59/508845959.db2.gz UPFWKGSKMVEHCZ-IBGZPJMESA-N 1 0 353.470 2.591 20 70 FFIDRO Cc1ccc(F)c(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000159477130 508847744 /nfs/dbraw/zinc/84/77/44/508847744.db2.gz NEUXQWPGJXLMPF-SJPCQFCGSA-N 1 0 360.477 2.909 20 70 FFIDRO CCc1ccc([C@H](CO)NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000159491292 508849400 /nfs/dbraw/zinc/84/94/00/508849400.db2.gz FZTLCODZWVYGGB-FQEVSTJZSA-N 1 0 373.472 2.853 20 70 FFIDRO COc1ccc2c(C)c(CCC(=O)NCC3([NH3+])CCCCC3)c(=O)oc2c1 ZINC000159493827 508849420 /nfs/dbraw/zinc/84/94/20/508849420.db2.gz GFYBPLXBZKEZSC-UHFFFAOYSA-N 1 0 372.465 2.820 20 70 FFIDRO CC(C)n1ncc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1C1CC1 ZINC000159567014 508859653 /nfs/dbraw/zinc/85/96/53/508859653.db2.gz JJMZNELBPLRTIP-UHFFFAOYSA-N 1 0 371.485 2.607 20 70 FFIDRO C[C@@H](CNC(=O)CCCc1nc(C2CC2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000159575800 508860570 /nfs/dbraw/zinc/86/05/70/508860570.db2.gz XHVMXLNFIVSWIJ-HNNXBMFYSA-N 1 0 368.481 2.833 20 70 FFIDRO O=C(c1cccc2ncccc21)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159570813 508860758 /nfs/dbraw/zinc/86/07/58/508860758.db2.gz OBSMUPYIDVEWNE-QGZVFWFLSA-N 1 0 353.466 2.952 20 70 FFIDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159578804 508861339 /nfs/dbraw/zinc/86/13/39/508861339.db2.gz PABAPUDQCBJUNR-AOIWGVFYSA-N 1 0 370.497 2.909 20 70 FFIDRO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H](O)c2ccsc2)cc1 ZINC000159596226 508862946 /nfs/dbraw/zinc/86/29/46/508862946.db2.gz JDEFRUPWYPHOHA-SFHVURJKSA-N 1 0 362.495 2.932 20 70 FFIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159614618 508865942 /nfs/dbraw/zinc/86/59/42/508865942.db2.gz OPLKAPFAUXYTOH-CABZTGNLSA-N 1 0 354.863 2.648 20 70 FFIDRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)C(C)C)c(O[C@@H]2CCOC2)c1 ZINC000159625026 508868137 /nfs/dbraw/zinc/86/81/37/508868137.db2.gz PQDMINLRYDPNBK-GOSISDBHSA-N 1 0 363.502 2.644 20 70 FFIDRO Cc1ccccc1[C@H](C)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000159657428 508871782 /nfs/dbraw/zinc/87/17/82/508871782.db2.gz ZDQZOTMJDQFOMZ-INIZCTEOSA-N 1 0 366.527 2.619 20 70 FFIDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnc(-n2cccn2)c1 ZINC000159706721 508878203 /nfs/dbraw/zinc/87/82/03/508878203.db2.gz WTZSACJBAGTFSU-IBGZPJMESA-N 1 0 361.449 2.662 20 70 FFIDRO Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCC3([NH3+])CCCCC3)C2)cc1 ZINC000159703705 508878397 /nfs/dbraw/zinc/87/83/97/508878397.db2.gz PULFSMIPMSJVMI-SFHVURJKSA-N 1 0 357.498 2.625 20 70 FFIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159716431 508879827 /nfs/dbraw/zinc/87/98/27/508879827.db2.gz PHIHXDPALHBQSF-INIZCTEOSA-N 1 0 351.495 2.505 20 70 FFIDRO CN(Cc1cc(Br)cn1C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000159730999 508881456 /nfs/dbraw/zinc/88/14/56/508881456.db2.gz RGALJYZOHDEGBC-UHFFFAOYSA-N 1 0 369.307 2.556 20 70 FFIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000159734727 508882689 /nfs/dbraw/zinc/88/26/89/508882689.db2.gz WKECSMNYLWLLIH-GOSISDBHSA-N 1 0 373.545 2.680 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000159741679 508883426 /nfs/dbraw/zinc/88/34/26/508883426.db2.gz ZQOYOWXZSXNOIU-UHFFFAOYSA-N 1 0 363.477 2.611 20 70 FFIDRO COCCOC[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000159737949 508883608 /nfs/dbraw/zinc/88/36/08/508883608.db2.gz ZLHGZGPOJAWILI-SUMWQHHRSA-N 1 0 370.852 2.569 20 70 FFIDRO Cn1cnc2cc(C(=O)N(CCCc3ccccc3)CC[NH+](C)C)cnc21 ZINC000159746250 508884399 /nfs/dbraw/zinc/88/43/99/508884399.db2.gz UEKNGASDLWVHKW-UHFFFAOYSA-N 1 0 365.481 2.605 20 70 FFIDRO CCCCn1ncc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1C ZINC000159789381 508890924 /nfs/dbraw/zinc/89/09/24/508890924.db2.gz DLZSLDUJCYSCRA-INIZCTEOSA-N 1 0 351.495 2.566 20 70 FFIDRO CCN(C(=O)NCCc1nccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159845242 508899423 /nfs/dbraw/zinc/89/94/23/508899423.db2.gz RAAVUDFRBUAVJZ-KRWDZBQOSA-N 1 0 358.511 2.992 20 70 FFIDRO O=C(c1ccccc1)N1CCC[C@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000159866251 508903187 /nfs/dbraw/zinc/90/31/87/508903187.db2.gz UUEFYFAUPZUEEY-IBGZPJMESA-N 1 0 369.509 2.529 20 70 FFIDRO CCN(CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000159878408 508904718 /nfs/dbraw/zinc/90/47/18/508904718.db2.gz MDPOVXHIDJDAAB-INIZCTEOSA-N 1 0 361.486 2.603 20 70 FFIDRO CC(C)[NH+]1CCN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000159888927 508906460 /nfs/dbraw/zinc/90/64/60/508906460.db2.gz QRWAXHLAIREKQW-UHFFFAOYSA-N 1 0 373.478 2.634 20 70 FFIDRO CCc1c(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)[nH]c(C)c1C(N)=O ZINC000159887917 508906617 /nfs/dbraw/zinc/90/66/17/508906617.db2.gz KXHGYLOMYGSYSV-UHFFFAOYSA-N 1 0 370.497 2.756 20 70 FFIDRO O=C(CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccccc1 ZINC000159887891 508906650 /nfs/dbraw/zinc/90/66/50/508906650.db2.gz MPOGCCFGJQPDIL-SFHVURJKSA-N 1 0 358.486 2.675 20 70 FFIDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000159937216 508914047 /nfs/dbraw/zinc/91/40/47/508914047.db2.gz RJCDEAIAVNNACW-OAHLLOKOSA-N 1 0 360.458 2.891 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000159937550 508914391 /nfs/dbraw/zinc/91/43/91/508914391.db2.gz YXADFKQEVWREHQ-FQEVSTJZSA-N 1 0 352.478 2.782 20 70 FFIDRO Cc1cccc([C@@H](C)C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)c1 ZINC000159942333 508914899 /nfs/dbraw/zinc/91/48/99/508914899.db2.gz GZUGPUDQNAVJSU-QGZVFWFLSA-N 1 0 365.477 2.542 20 70 FFIDRO CC1CC[NH+](CCCCNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000159950360 508915903 /nfs/dbraw/zinc/91/59/03/508915903.db2.gz UBMVWKQQGWEDMM-UHFFFAOYSA-N 1 0 359.445 2.909 20 70 FFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000159957139 508917540 /nfs/dbraw/zinc/91/75/40/508917540.db2.gz XIPAXIFGAVFGIW-QRFRQXIXSA-N 1 0 357.498 2.717 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000159982111 508920860 /nfs/dbraw/zinc/92/08/60/508920860.db2.gz VCVPLSHBKWGEQY-IBGZPJMESA-N 1 0 373.884 2.979 20 70 FFIDRO COc1ccc(OCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000159988287 508921767 /nfs/dbraw/zinc/92/17/67/508921767.db2.gz MEGSIDPLBYBOFV-UHFFFAOYSA-N 1 0 363.502 2.837 20 70 FFIDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CCCCO2)CC1 ZINC000160032027 508928365 /nfs/dbraw/zinc/92/83/65/508928365.db2.gz OUWJDSAREHSKPB-QGZVFWFLSA-N 1 0 351.878 2.990 20 70 FFIDRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000160053790 508930394 /nfs/dbraw/zinc/93/03/94/508930394.db2.gz YDUQBCPHCVBVFB-LJQANCHMSA-N 1 0 371.525 2.790 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(OCc2cccs2)c1 ZINC000160095820 508937977 /nfs/dbraw/zinc/93/79/77/508937977.db2.gz KDVAWYHVEDDNET-KRWDZBQOSA-N 1 0 374.506 2.904 20 70 FFIDRO COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000160125354 508942150 /nfs/dbraw/zinc/94/21/50/508942150.db2.gz GCIXCSBBUAGMFS-CQSZACIVSA-N 1 0 372.918 2.988 20 70 FFIDRO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000160143107 508945108 /nfs/dbraw/zinc/94/51/08/508945108.db2.gz OKQVYEZKJCBSPV-LBPRGKRZSA-N 1 0 364.877 2.648 20 70 FFIDRO C[C@H](CC(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000160152241 508945881 /nfs/dbraw/zinc/94/58/81/508945881.db2.gz HDQQQDUDNYJZHG-CABCVRRESA-N 1 0 371.447 2.951 20 70 FFIDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCOCC(F)(F)F ZINC000160159051 508947743 /nfs/dbraw/zinc/94/77/43/508947743.db2.gz KCMFNMKIOYKYEP-UHFFFAOYSA-N 1 0 374.407 2.518 20 70 FFIDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000160165506 508948343 /nfs/dbraw/zinc/94/83/43/508948343.db2.gz DNFCNFJUYWGJGG-ZDUSSCGKSA-N 1 0 354.394 2.627 20 70 FFIDRO Cc1ccc2nc(COc3cccc(C(=O)N4CCC[C@H]4C[NH3+])c3)cn2c1 ZINC000160197408 508952919 /nfs/dbraw/zinc/95/29/19/508952919.db2.gz UORFEVSPRZNYLC-SFHVURJKSA-N 1 0 364.449 2.785 20 70 FFIDRO O=C(CCC(=O)c1cccs1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160238493 508958276 /nfs/dbraw/zinc/95/82/76/508958276.db2.gz BBNYAKQXYPLUIF-HOTGVXAUSA-N 1 0 364.511 2.595 20 70 FFIDRO O=C(Cc1c[nH]c2ccccc12)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160237870 508958414 /nfs/dbraw/zinc/95/84/14/508958414.db2.gz JZMHWGXEMBKBOU-UXHICEINSA-N 1 0 355.482 2.595 20 70 FFIDRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(C)cc1O[C@H]1CCOC1 ZINC000160237512 508958570 /nfs/dbraw/zinc/95/85/70/508958570.db2.gz LDHMPQCDXBBQSQ-AEFFLSMTSA-N 1 0 363.502 2.692 20 70 FFIDRO C[C@@H](CNC(=O)N1CCO[C@H](c2ccsc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160271188 508963565 /nfs/dbraw/zinc/96/35/65/508963565.db2.gz KIMOMCPVYPHQFU-VYDXJSESSA-N 1 0 351.516 2.951 20 70 FFIDRO C[C@H](O)C[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)C1CCCCC1 ZINC000160312713 508969545 /nfs/dbraw/zinc/96/95/45/508969545.db2.gz UAJUHHLDHCSGAZ-AWEZNQCLSA-N 1 0 350.507 2.672 20 70 FFIDRO CC(C)(C)c1ncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000160329110 508971683 /nfs/dbraw/zinc/97/16/83/508971683.db2.gz GDLLRTYCYXLUCF-HUUCEWRRSA-N 1 0 365.543 2.938 20 70 FFIDRO Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160332522 508971734 /nfs/dbraw/zinc/97/17/34/508971734.db2.gz BILHZNLGZFRAQM-SFHVURJKSA-N 1 0 353.466 2.634 20 70 FFIDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160376921 508978339 /nfs/dbraw/zinc/97/83/39/508978339.db2.gz IRLZCRIKDZBYTK-ZDUSSCGKSA-N 1 0 352.548 2.778 20 70 FFIDRO Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Br)n1 ZINC000160381973 508978464 /nfs/dbraw/zinc/97/84/64/508978464.db2.gz RITCTBNYJMOPGX-OCCSQVGLSA-N 1 0 352.276 2.709 20 70 FFIDRO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc(OC)c1O ZINC000160390705 508980029 /nfs/dbraw/zinc/98/00/29/508980029.db2.gz VJEJARVQCSZQSV-AWEZNQCLSA-N 1 0 360.410 2.569 20 70 FFIDRO O=C(CCC(=O)c1csc2ccccc12)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160414989 508983475 /nfs/dbraw/zinc/98/34/75/508983475.db2.gz NKAKWZHYNYPGPS-HNNXBMFYSA-N 1 0 374.506 2.827 20 70 FFIDRO CC(C)Cn1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000160446078 508988416 /nfs/dbraw/zinc/98/84/16/508988416.db2.gz UYJVMJJNNPPXPX-QGZVFWFLSA-N 1 0 357.498 2.874 20 70 FFIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2nncn2-c2ccccc2)CC1 ZINC000160448559 508988431 /nfs/dbraw/zinc/98/84/31/508988431.db2.gz JHGUSJUIESPDTI-UHFFFAOYSA-N 1 0 370.501 2.531 20 70 FFIDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160463689 508990785 /nfs/dbraw/zinc/99/07/85/508990785.db2.gz KIUKOUHEIXYGQJ-LPHOPBHVSA-N 1 0 361.486 2.843 20 70 FFIDRO Cn1cnc2cc(C(=O)Nc3cccc(OCCC[NH+](C)C)c3)cnc21 ZINC000160471579 508991314 /nfs/dbraw/zinc/99/13/14/508991314.db2.gz DDDZQLXRJVFSKS-UHFFFAOYSA-N 1 0 353.426 2.551 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@@H]1CSc2ccccc21 ZINC000160475968 508992171 /nfs/dbraw/zinc/99/21/71/508992171.db2.gz OAZBAESLZLGACS-SQNIBIBYSA-N 1 0 360.523 2.760 20 70 FFIDRO C[C@@H](Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160495100 508994815 /nfs/dbraw/zinc/99/48/15/508994815.db2.gz PSOCZJQVSAKSPV-BEVDRBHNSA-N 1 0 362.489 2.888 20 70 FFIDRO CCC(=O)Nc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160494461 508995130 /nfs/dbraw/zinc/99/51/30/508995130.db2.gz JKKNWCOBRDJKIX-RBUKOAKNSA-N 1 0 373.497 2.533 20 70 FFIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000160510036 508996743 /nfs/dbraw/zinc/99/67/43/508996743.db2.gz FKDHXOZTSUHWHK-HXUWFJFHSA-N 1 0 370.497 2.828 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000160528954 508998924 /nfs/dbraw/zinc/99/89/24/508998924.db2.gz GFAQPIQITNIMPC-UHFFFAOYSA-N 1 0 369.465 2.697 20 70 FFIDRO O=C(NCCOCc1ccc(Cl)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000160545185 509001205 /nfs/dbraw/zinc/00/12/05/509001205.db2.gz SJBJYCKFPUCYLN-UHFFFAOYSA-N 1 0 351.878 2.594 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000160563851 509003798 /nfs/dbraw/zinc/00/37/98/509003798.db2.gz LPYRGPOSRBMFRM-AWEZNQCLSA-N 1 0 364.490 2.501 20 70 FFIDRO O=C(COc1ccccc1-c1ccccc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160699497 509021997 /nfs/dbraw/zinc/02/19/97/509021997.db2.gz RIJYFDGTXFTELF-IBGZPJMESA-N 1 0 368.477 2.695 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(-c2ccccc2)n[nH]1 ZINC000160709449 509023639 /nfs/dbraw/zinc/02/36/39/509023639.db2.gz APVMUGPARTUSHI-VQTJNVASSA-N 1 0 368.481 2.574 20 70 FFIDRO O=C(CCc1ccc(Cl)cc1Cl)NCC1CC[NH+](CCO)CC1 ZINC000160708124 509023792 /nfs/dbraw/zinc/02/37/92/509023792.db2.gz QOGDPBHJMRFVPQ-UHFFFAOYSA-N 1 0 359.297 2.747 20 70 FFIDRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000160744971 509027332 /nfs/dbraw/zinc/02/73/32/509027332.db2.gz VJBQSLXCJQZAHT-HNNXBMFYSA-N 1 0 361.463 2.625 20 70 FFIDRO CCOc1ccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160753661 509029226 /nfs/dbraw/zinc/02/92/26/509029226.db2.gz IPOQHZGQMSZKSH-LGQHIAMJSA-N 1 0 372.509 2.983 20 70 FFIDRO CCc1nccn1[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160824889 509036973 /nfs/dbraw/zinc/03/69/73/509036973.db2.gz DRGURMFUSQNBEL-WMZOPIPTSA-N 1 0 359.518 2.809 20 70 FFIDRO CCC(CC)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000160906549 509046394 /nfs/dbraw/zinc/04/63/94/509046394.db2.gz MOGWYIHWRSZWIT-CYBMUJFWSA-N 1 0 363.239 2.809 20 70 FFIDRO O[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1)COc1ccc2c(c1)OCO2 ZINC000160920520 509048102 /nfs/dbraw/zinc/04/81/02/509048102.db2.gz QAMKQFVEXJBEHX-GFCCVEGCSA-N 1 0 353.777 2.737 20 70 FFIDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000160929013 509049594 /nfs/dbraw/zinc/04/95/94/509049594.db2.gz UZZVVUOHRCGLKD-QRVBRYPASA-N 1 0 357.498 2.717 20 70 FFIDRO O=C(CCCOc1ccc2c(c1)CCC2)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000160947540 509051595 /nfs/dbraw/zinc/05/15/95/509051595.db2.gz WNZIIPOUDMHTEP-SFHVURJKSA-N 1 0 372.509 2.515 20 70 FFIDRO COc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1S(C)(=O)=O ZINC000161069484 509067308 /nfs/dbraw/zinc/06/73/08/509067308.db2.gz OZSZQELTTUPSJD-IMJJTQAJSA-N 1 0 354.516 2.622 20 70 FFIDRO CCCCN1C(=O)c2ccc(C(=O)N3CCC(C[NH2+]CC)CC3)cc2C1=O ZINC000161115592 509073443 /nfs/dbraw/zinc/07/34/43/509073443.db2.gz JXPIVIHMXKPQMS-UHFFFAOYSA-N 1 0 371.481 2.544 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1CO)Cc1ccccc1 ZINC000161133598 509075448 /nfs/dbraw/zinc/07/54/48/509075448.db2.gz YVHOSQAVWKYDEB-OAQYLSRUSA-N 1 0 369.509 2.931 20 70 FFIDRO COCC[N@@H+]1CCCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000161142625 509077094 /nfs/dbraw/zinc/07/70/94/509077094.db2.gz QQBWPHWRQIHYHZ-UHFFFAOYSA-N 1 0 355.276 2.552 20 70 FFIDRO CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000161162122 509079185 /nfs/dbraw/zinc/07/91/85/509079185.db2.gz NVVANFIHOFXXSV-GOSISDBHSA-N 1 0 359.514 2.875 20 70 FFIDRO COc1cccc(NC(=O)[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc2)c1 ZINC000161204588 509086007 /nfs/dbraw/zinc/08/60/07/509086007.db2.gz YUVURDVPOIAVAB-YLJYHZDGSA-N 1 0 367.449 2.585 20 70 FFIDRO CC(C)CCn1ccc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000161226211 509088741 /nfs/dbraw/zinc/08/87/41/509088741.db2.gz BBDUNBVWOQMJNJ-HOTGVXAUSA-N 1 0 351.495 2.550 20 70 FFIDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(OC)ccc1OC ZINC000161240989 509090437 /nfs/dbraw/zinc/09/04/37/509090437.db2.gz HLSIPKXELLKVQI-HNNXBMFYSA-N 1 0 370.515 2.637 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000161262642 509093864 /nfs/dbraw/zinc/09/38/64/509093864.db2.gz AJYUCVZZYISQMO-UHFFFAOYSA-N 1 0 362.499 2.837 20 70 FFIDRO CS[C@@H](C)CC(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000161262945 509093869 /nfs/dbraw/zinc/09/38/69/509093869.db2.gz PCXOLUIORTVIQL-INIZCTEOSA-N 1 0 371.591 2.602 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000161273331 509094823 /nfs/dbraw/zinc/09/48/23/509094823.db2.gz OMYLFQDZFNEZPU-INIZCTEOSA-N 1 0 359.495 2.783 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000161280272 509096654 /nfs/dbraw/zinc/09/66/54/509096654.db2.gz VPZOPFYYWKGBQS-KRWDZBQOSA-N 1 0 360.889 2.895 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1OCC(C)C ZINC000161319263 509101410 /nfs/dbraw/zinc/10/14/10/509101410.db2.gz PQNQMYBBFDJXHF-QGZVFWFLSA-N 1 0 356.470 2.731 20 70 FFIDRO Cc1ccc(-c2nc(SCC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)n[nH]2)cc1 ZINC000161343395 509104302 /nfs/dbraw/zinc/10/43/02/509104302.db2.gz ARRYMAAQAKJBCP-MRXNPFEDSA-N 1 0 371.510 2.569 20 70 FFIDRO CC(C)c1cccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000161478134 509119895 /nfs/dbraw/zinc/11/98/95/509119895.db2.gz CMDBOIVRGWBRLR-MRXNPFEDSA-N 1 0 368.543 2.523 20 70 FFIDRO CC[NH+](CC)CCNC(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000161484012 509120652 /nfs/dbraw/zinc/12/06/52/509120652.db2.gz UYMZOZIAOGSBOP-GOSISDBHSA-N 1 0 363.502 2.694 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC(=O)c2ccc(C)cc2)cc1 ZINC000161505909 509123595 /nfs/dbraw/zinc/12/35/95/509123595.db2.gz YDJJLGXWSFPQOG-HNNXBMFYSA-N 1 0 360.479 2.827 20 70 FFIDRO O=C(C[N@@H+](CCO)C1CCCCC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000216624653 509262522 /nfs/dbraw/zinc/26/25/22/509262522.db2.gz OWTVQJDMJNFZIM-UHFFFAOYSA-N 1 0 356.369 2.574 20 70 FFIDRO Cc1ccccc1CN(C)C(=O)CN1CCN(C)C[C@@H]1c1ccccc1 ZINC000216742709 509263373 /nfs/dbraw/zinc/26/33/73/509263373.db2.gz IZISDKJBMUWGEL-OAQYLSRUSA-N 1 0 351.494 2.942 20 70 FFIDRO Cc1ccccc1CCNC(=O)CN1CCN(C)C[C@@H]1c1ccccc1 ZINC000216740589 509264020 /nfs/dbraw/zinc/26/40/20/509264020.db2.gz FRGVZUSZJISLNQ-OAQYLSRUSA-N 1 0 351.494 2.642 20 70 FFIDRO Cc1cc(S(=O)(=O)F)cnc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165050570 721978996 /nfs/dbraw/zinc/97/89/96/721978996.db2.gz VKNKCFBAVPAVOQ-OAHLLOKOSA-N 1 0 355.479 2.893 20 70 FFIDRO COc1ccc(Br)cc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000159369732 508832420 /nfs/dbraw/zinc/83/24/20/508832420.db2.gz DDYYCGAOKPSUCI-UHFFFAOYSA-N 1 0 353.260 2.814 20 70 FFIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000159433994 508841656 /nfs/dbraw/zinc/84/16/56/508841656.db2.gz AESQOBZSSLXAAA-SLFFLAALSA-N 1 0 360.498 2.816 20 70 FFIDRO CC(C)Cc1ncc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)s1 ZINC000159470175 508846773 /nfs/dbraw/zinc/84/67/73/508846773.db2.gz MXHZDSCQPQEXJE-AWEZNQCLSA-N 1 0 359.561 2.635 20 70 FFIDRO COc1cccc([C@@H](CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)[NH+](C)C)c1 ZINC000159495665 508850283 /nfs/dbraw/zinc/85/02/83/508850283.db2.gz UBKIQMLCDSICTA-QRQLOZEOSA-N 1 0 361.486 2.555 20 70 FFIDRO CCC(=O)N1CC[C@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000159580955 508861260 /nfs/dbraw/zinc/86/12/60/508861260.db2.gz LHLVCBCXBCTISP-VQTJNVASSA-N 1 0 371.525 2.834 20 70 FFIDRO O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159585187 508862038 /nfs/dbraw/zinc/86/20/38/508862038.db2.gz SEHADQWNYXROKI-HDICACEKSA-N 1 0 373.460 2.901 20 70 FFIDRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159595517 508862726 /nfs/dbraw/zinc/86/27/26/508862726.db2.gz WFSJSOPOCBDUAL-YJBOKZPZSA-N 1 0 352.500 2.580 20 70 FFIDRO CC(C)S(=O)(=O)c1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159677847 508874967 /nfs/dbraw/zinc/87/49/67/508874967.db2.gz HPOUICAMQPHFHY-UHFFFAOYSA-N 1 0 366.527 2.911 20 70 FFIDRO CN(C(=O)c1cccc2[nH]c(=O)oc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159728415 508881606 /nfs/dbraw/zinc/88/16/06/508881606.db2.gz YKPNXLQAEXLBEO-MRXNPFEDSA-N 1 0 365.433 2.858 20 70 FFIDRO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)n1 ZINC000159727914 508881741 /nfs/dbraw/zinc/88/17/41/508881741.db2.gz QAYANFLBIAFAQW-GXTWGEPZSA-N 1 0 352.276 2.709 20 70 FFIDRO COCCCOc1cccc(CNC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000159770158 508888211 /nfs/dbraw/zinc/88/82/11/508888211.db2.gz NKMFRTWWBVQTAR-UHFFFAOYSA-N 1 0 363.502 2.633 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000159789182 508891255 /nfs/dbraw/zinc/89/12/55/508891255.db2.gz RSNGTAGTAMUFPJ-MRXNPFEDSA-N 1 0 369.893 2.974 20 70 FFIDRO CC[NH+]1CCN(CCCNC(=O)Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000159806912 508893770 /nfs/dbraw/zinc/89/37/70/508893770.db2.gz OTZSXDUYOVUPHZ-UHFFFAOYSA-N 1 0 362.905 2.508 20 70 FFIDRO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159805061 508893897 /nfs/dbraw/zinc/89/38/97/508893897.db2.gz JAAOEEQRXZLAPP-INIZCTEOSA-N 1 0 368.481 2.599 20 70 FFIDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159813953 508894777 /nfs/dbraw/zinc/89/47/77/508894777.db2.gz RPDPWYKIJGVPBK-UHFFFAOYSA-N 1 0 362.424 2.855 20 70 FFIDRO O=C(N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000159829586 508897923 /nfs/dbraw/zinc/89/79/23/508897923.db2.gz HJFAJSJPRNZGQB-LIRRHRJNSA-N 1 0 372.852 2.926 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(C2CCOCC2)c1C)c1ccco1 ZINC000159836591 508898615 /nfs/dbraw/zinc/89/86/15/508898615.db2.gz YRQFCGPVGBTKIY-GOSISDBHSA-N 1 0 374.485 2.949 20 70 FFIDRO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000159887462 508906964 /nfs/dbraw/zinc/90/69/64/508906964.db2.gz YKRXRGJYWJSPCY-FXAWDEMLSA-N 1 0 371.525 2.539 20 70 FFIDRO COC(=O)c1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)nc1C ZINC000159897616 508908229 /nfs/dbraw/zinc/90/82/29/508908229.db2.gz OYKXKILTIZMSFA-UHFFFAOYSA-N 1 0 369.465 2.814 20 70 FFIDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000159930327 508913208 /nfs/dbraw/zinc/91/32/08/508913208.db2.gz PWQDMWAXLLXMQC-CABCVRRESA-N 1 0 365.437 2.954 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CCCO)CC(C)(C)C ZINC000159941098 508914939 /nfs/dbraw/zinc/91/49/39/508914939.db2.gz IPTXSEQCFQAQLB-MJGOQNOKSA-N 1 0 361.530 2.947 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000159955770 508916627 /nfs/dbraw/zinc/91/66/27/508916627.db2.gz SPQAXAQFKRUQPI-INIZCTEOSA-N 1 0 350.894 2.656 20 70 FFIDRO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000159992698 508921604 /nfs/dbraw/zinc/92/16/04/508921604.db2.gz QETVKZUROWAWTL-CYBMUJFWSA-N 1 0 353.422 2.570 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)c1cccc(OC)c1 ZINC000160045010 508929946 /nfs/dbraw/zinc/92/99/46/508929946.db2.gz NOYZCVNTUCWTKR-QUCCMNQESA-N 1 0 363.502 2.635 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000160043009 508930066 /nfs/dbraw/zinc/93/00/66/508930066.db2.gz KOQCZRZBOAUDGS-INIZCTEOSA-N 1 0 364.490 2.501 20 70 FFIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000160059859 508932648 /nfs/dbraw/zinc/93/26/48/508932648.db2.gz VMYZAGLYFKYSRC-BZUAXINKSA-N 1 0 374.529 2.937 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1COc1ccccc1 ZINC000160072924 508933985 /nfs/dbraw/zinc/93/39/85/508933985.db2.gz YSBUZLVHAWKWSH-LJQANCHMSA-N 1 0 368.477 2.842 20 70 FFIDRO CO[C@@H](C)c1noc(CCC(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)n1 ZINC000160130242 508942664 /nfs/dbraw/zinc/94/26/64/508942664.db2.gz RNURUHSVNBDKDI-HOCLYGCPSA-N 1 0 370.453 2.721 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000160187949 508951253 /nfs/dbraw/zinc/95/12/53/508951253.db2.gz HNIHPQPSXJJXDA-UHFFFAOYSA-N 1 0 372.469 2.642 20 70 FFIDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@](C)(O)C3)cc2)C1 ZINC000160204870 508954152 /nfs/dbraw/zinc/95/41/52/508954152.db2.gz OKEIHKMOGTUIQL-LAUBAEHRSA-N 1 0 359.514 2.975 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCc2n[nH]cc2C1)c1ccsc1 ZINC000160214194 508955350 /nfs/dbraw/zinc/95/53/50/508955350.db2.gz NTGMSXZQYFNTAJ-NVXWUHKLSA-N 1 0 361.515 2.711 20 70 FFIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cc(OC)ccc1Br ZINC000160252900 508960787 /nfs/dbraw/zinc/96/07/87/508960787.db2.gz WQHXMNJYZQFXSV-CQSZACIVSA-N 1 0 369.303 2.991 20 70 FFIDRO O=C(C[C@@H]1CSCCS1)Nc1ccc(CCN2CCOCC2)cc1 ZINC000160266993 508962819 /nfs/dbraw/zinc/96/28/19/508962819.db2.gz CMJGNDGXPZNEHH-QGZVFWFLSA-N 1 0 366.552 2.739 20 70 FFIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160269969 508963591 /nfs/dbraw/zinc/96/35/91/508963591.db2.gz MQPLROYVTADDQA-INIZCTEOSA-N 1 0 366.465 2.535 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)c1csc([C@@H]2CCCO2)n1)Cc1ccccc1 ZINC000160362750 508975724 /nfs/dbraw/zinc/97/57/24/508975724.db2.gz ZUYGFHQCIBRGKM-WBVHZDCISA-N 1 0 359.495 2.897 20 70 FFIDRO Cc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)oc1C ZINC000160370539 508977908 /nfs/dbraw/zinc/97/79/08/508977908.db2.gz ZGMRIDPTSRPADX-UHFFFAOYSA-N 1 0 355.438 2.974 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1nc(Cl)ccc1Cl ZINC000160423697 508984979 /nfs/dbraw/zinc/98/49/79/508984979.db2.gz VRFNCRDAMOSVPN-KGLIPLIRSA-N 1 0 372.296 2.886 20 70 FFIDRO O=C(/C=C/c1c(F)cccc1F)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160474661 508992617 /nfs/dbraw/zinc/99/26/17/508992617.db2.gz DRGDADRCMTZXOL-HKVOBHHDSA-N 1 0 364.436 2.862 20 70 FFIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160513472 508997391 /nfs/dbraw/zinc/99/73/91/508997391.db2.gz MXZJWOLEVREPFF-KRWDZBQOSA-N 1 0 356.474 2.868 20 70 FFIDRO CC(C)OCCCNC(=O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160565973 509003719 /nfs/dbraw/zinc/00/37/19/509003719.db2.gz DWKDNZNXRTWQLP-UHFFFAOYSA-N 1 0 353.551 2.506 20 70 FFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc([S@@](C)=O)c(F)c2)CC1 ZINC000160578668 509004888 /nfs/dbraw/zinc/00/48/88/509004888.db2.gz AHWDKGWEYWMONY-KWFKRQBVSA-N 1 0 355.479 2.805 20 70 FFIDRO CCc1ccc(CC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000160609523 509010055 /nfs/dbraw/zinc/01/00/55/509010055.db2.gz AHAVRMASXNCYFI-UHFFFAOYSA-N 1 0 365.521 2.855 20 70 FFIDRO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160621216 509011688 /nfs/dbraw/zinc/01/16/88/509011688.db2.gz NQAYLUGOLKUHGK-INIZCTEOSA-N 1 0 359.495 2.695 20 70 FFIDRO C[NH+](C)C1CN(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)C1 ZINC000160641831 509013329 /nfs/dbraw/zinc/01/33/29/509013329.db2.gz SWFMAFOLZCUFNX-UHFFFAOYSA-N 1 0 351.813 2.502 20 70 FFIDRO C[NH+](C)C[C@H]1CCN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000160679149 509018806 /nfs/dbraw/zinc/01/88/06/509018806.db2.gz PLIQLKFXBQEJST-MRXNPFEDSA-N 1 0 361.486 2.838 20 70 FFIDRO O=C(Cc1c(F)cccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160692466 509021117 /nfs/dbraw/zinc/02/11/17/509021117.db2.gz YTTVTXPDZJVYGA-ROUUACIJSA-N 1 0 368.880 2.906 20 70 FFIDRO Cc1ccc2c(c1)[C@H](NC(=O)NCC1([NH+]3CCOCC3)CCCCC1)CO2 ZINC000160699010 509021900 /nfs/dbraw/zinc/02/19/00/509021900.db2.gz ZZQFSSZIZWBZLK-GOSISDBHSA-N 1 0 373.497 2.763 20 70 FFIDRO CCc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160699897 509022147 /nfs/dbraw/zinc/02/21/47/509022147.db2.gz GVNVXGSRVJPLDZ-UXHICEINSA-N 1 0 360.498 2.512 20 70 FFIDRO O=C(c1cc(F)cc2cccnc21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160731033 509025796 /nfs/dbraw/zinc/02/57/96/509025796.db2.gz FCSCISDTXXBFEG-UHFFFAOYSA-N 1 0 357.429 2.558 20 70 FFIDRO CCOc1ccc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160753524 509029291 /nfs/dbraw/zinc/02/92/91/509029291.db2.gz IPOQHZGQMSZKSH-LPJJAHQCSA-N 1 0 372.509 2.983 20 70 FFIDRO CCc1ccc(CC(=O)NCc2ccc(N3CC[NH+](CC)CC3)nc2)cc1 ZINC000160758945 509029939 /nfs/dbraw/zinc/02/99/39/509029939.db2.gz XOFPAAREDPRLOJ-UHFFFAOYSA-N 1 0 366.509 2.645 20 70 FFIDRO COCCCN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160798444 509033863 /nfs/dbraw/zinc/03/38/63/509033863.db2.gz BCCKDEJNOGCKNR-GOSISDBHSA-N 1 0 360.502 2.647 20 70 FFIDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160804259 509034912 /nfs/dbraw/zinc/03/49/12/509034912.db2.gz LPPMEVGDPROHEP-AWEZNQCLSA-N 1 0 368.403 2.957 20 70 FFIDRO Cc1cc(N2CCOCC2)ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000160841171 509039104 /nfs/dbraw/zinc/03/91/04/509039104.db2.gz MHADUBIGWLVINI-PXNSSMCTSA-N 1 0 372.513 2.780 20 70 FFIDRO COC(=O)c1[nH]c(C)c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1C ZINC000160900491 509045844 /nfs/dbraw/zinc/04/58/44/509045844.db2.gz RFIXAGVPJPVEER-UHFFFAOYSA-N 1 0 361.486 2.755 20 70 FFIDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCNC(=O)CC(C)C)CC1 ZINC000160921975 509048162 /nfs/dbraw/zinc/04/81/62/509048162.db2.gz IDVYNEDRVYADHZ-UHFFFAOYSA-N 1 0 359.514 2.628 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2N2CCOCC2)cc1 ZINC000160936076 509050305 /nfs/dbraw/zinc/05/03/05/509050305.db2.gz HCFSHSJZOJPCTQ-UHFFFAOYSA-N 1 0 353.466 2.515 20 70 FFIDRO Cc1ccsc1[C@@H](CO)NC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000160940293 509051021 /nfs/dbraw/zinc/05/10/21/509051021.db2.gz CUBAZHVZPVZGJP-JKSUJKDBSA-N 1 0 353.532 2.900 20 70 FFIDRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000160963953 509054004 /nfs/dbraw/zinc/05/40/04/509054004.db2.gz SJOLTFAZJPNWPG-SFHVURJKSA-N 1 0 358.413 2.954 20 70 FFIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC000160961726 509054224 /nfs/dbraw/zinc/05/42/24/509054224.db2.gz MEUVOTFXVGLQQQ-YXWAVELNSA-N 1 0 371.591 2.842 20 70 FFIDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c2ccccc21 ZINC000161009408 509059278 /nfs/dbraw/zinc/05/92/78/509059278.db2.gz CNMUWDHCYSNWIY-LIRRHRJNSA-N 1 0 351.450 2.630 20 70 FFIDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCn2ccnc2C1 ZINC000161024905 509061836 /nfs/dbraw/zinc/06/18/36/509061836.db2.gz OOFXLQFYWRONGY-QGZVFWFLSA-N 1 0 370.522 2.676 20 70 FFIDRO CC[C@@H](COC)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161040887 509063905 /nfs/dbraw/zinc/06/39/05/509063905.db2.gz AOQLOYOXHQRZSB-AWEZNQCLSA-N 1 0 357.292 2.812 20 70 FFIDRO COCCOc1cccc(CC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000161101082 509071043 /nfs/dbraw/zinc/07/10/43/509071043.db2.gz LIWZMCBUTBILJH-FQEVSTJZSA-N 1 0 374.456 2.813 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000161105896 509072075 /nfs/dbraw/zinc/07/20/75/509072075.db2.gz NDAUAEUGAPHECT-YPMHNXCESA-N 1 0 367.287 2.742 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)N2CCC(C[NH2+]CC)CC2)cc1 ZINC000161126035 509074792 /nfs/dbraw/zinc/07/47/92/509074792.db2.gz WYXSQAZGQYRVRP-UHFFFAOYSA-N 1 0 360.502 2.609 20 70 FFIDRO Cc1ccc2cc(C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)ccc2n1 ZINC000161137278 509076337 /nfs/dbraw/zinc/07/63/37/509076337.db2.gz UDAJNHINDZNXER-UHFFFAOYSA-N 1 0 366.509 2.832 20 70 FFIDRO O=C(c1cccc(-n2ccnn2)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000161169492 509079583 /nfs/dbraw/zinc/07/95/83/509079583.db2.gz PLPXZOYHUCUUIE-UHFFFAOYSA-N 1 0 361.449 2.615 20 70 FFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000161166162 509079865 /nfs/dbraw/zinc/07/98/65/509079865.db2.gz JAJKKCKRBRPXMV-HOTGVXAUSA-N 1 0 363.502 2.885 20 70 FFIDRO COCCC[NH+]1CCC(NC(=O)c2cnc(-c3ccccc3)nc2C)CC1 ZINC000161183134 509081780 /nfs/dbraw/zinc/08/17/80/509081780.db2.gz KFBKSNYAYVSPFL-UHFFFAOYSA-N 1 0 368.481 2.683 20 70 FFIDRO C[C@@H](O)C[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000161181974 509081981 /nfs/dbraw/zinc/08/19/81/509081981.db2.gz QMBCHNOFWZXMHL-PYXOFJJQSA-N 1 0 361.530 2.961 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000161182481 509082208 /nfs/dbraw/zinc/08/22/08/509082208.db2.gz WIGQTQJWEZDQQX-SFHVURJKSA-N 1 0 354.450 2.855 20 70 FFIDRO COCCC[NH+]1CCC(NC(=O)COc2ccc3c(c2)CCCC3)CC1 ZINC000161184449 509082475 /nfs/dbraw/zinc/08/24/75/509082475.db2.gz ABMFNAWYNSOXQP-UHFFFAOYSA-N 1 0 360.498 2.561 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000161193173 509083623 /nfs/dbraw/zinc/08/36/23/509083623.db2.gz BWGUAPFOIZMTEZ-CVEARBPZSA-N 1 0 367.449 2.999 20 70 FFIDRO Cc1c(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000161231890 509089986 /nfs/dbraw/zinc/08/99/86/509089986.db2.gz RXDUJJFWEQGJLU-KXBFYZLASA-N 1 0 367.497 2.777 20 70 FFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCN2c2ncnc3sccc32)C1 ZINC000161294259 509098523 /nfs/dbraw/zinc/09/85/23/509098523.db2.gz FHPZJCOWZFDFLO-KBMXLJTQSA-N 1 0 373.526 2.505 20 70 FFIDRO Cc1ccc(N2CCC[C@@H](NC(=O)C[C@@H](C)C3CC[NH2+]CC3)C2=O)cc1 ZINC000161319646 509101257 /nfs/dbraw/zinc/10/12/57/509101257.db2.gz MJSLWUKPUDPLDG-VQIMIIECSA-N 1 0 357.498 2.632 20 70 FFIDRO Cc1ccc(N2CCC[C@H](NC(=O)C[C@@H](C)C3CC[NH2+]CC3)C2=O)cc1 ZINC000161319530 509101527 /nfs/dbraw/zinc/10/15/27/509101527.db2.gz MJSLWUKPUDPLDG-APWZRJJASA-N 1 0 357.498 2.632 20 70 FFIDRO C[NH+](C)CCc1ccc(NC(=O)c2csc(S(C)(=O)=O)c2)cc1 ZINC000161335582 509103406 /nfs/dbraw/zinc/10/34/06/509103406.db2.gz ZQQOYQSQWNOJRW-UHFFFAOYSA-N 1 0 352.481 2.508 20 70 FFIDRO CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)c1 ZINC000161351825 509105219 /nfs/dbraw/zinc/10/52/19/509105219.db2.gz TVARAIWLUGUJGV-AWEZNQCLSA-N 1 0 374.462 2.821 20 70 FFIDRO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1-n1cccn1 ZINC000161375830 509108564 /nfs/dbraw/zinc/10/85/64/509108564.db2.gz HMEHORCKLGJMIX-OAHLLOKOSA-N 1 0 367.457 2.513 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000161380364 509109273 /nfs/dbraw/zinc/10/92/73/509109273.db2.gz XVPHKASKGWNJKX-CQSZACIVSA-N 1 0 352.360 2.715 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c1oc(=O)n2C)c1ccco1 ZINC000161388426 509109861 /nfs/dbraw/zinc/10/98/61/509109861.db2.gz RZKFFCNBMDLHGC-HNNXBMFYSA-N 1 0 357.410 2.537 20 70 FFIDRO Cn1ccnc1[C@H](NC(=O)CCC(=O)NC1CCCC1)c1cccc(F)c1 ZINC000161398861 509111565 /nfs/dbraw/zinc/11/15/65/509111565.db2.gz JOALHHUDYAXJRN-LJQANCHMSA-N 1 0 372.444 2.604 20 70 FFIDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000161402822 509112483 /nfs/dbraw/zinc/11/24/83/509112483.db2.gz IMAIIYQYUBUXNJ-NVXWUHKLSA-N 1 0 372.465 2.787 20 70 FFIDRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161409731 509112932 /nfs/dbraw/zinc/11/29/32/509112932.db2.gz WEEMQBYKULOPIX-JCYILVPMSA-N 1 0 365.905 2.964 20 70 FFIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(C(=O)NC3CC3)cc2)o1 ZINC000161501211 509122630 /nfs/dbraw/zinc/12/26/30/509122630.db2.gz BZTZRKCPPNKULM-UHFFFAOYSA-N 1 0 369.465 2.684 20 70 FFIDRO O=C1[C@@H](N2CCC([C@H](O)C(F)(F)F)CC2)CCN1c1ccccc1F ZINC000161510105 509123587 /nfs/dbraw/zinc/12/35/87/509123587.db2.gz KDKFWMQDKQIUAQ-GJZGRUSLSA-N 1 0 360.351 2.566 20 70 FFIDRO CNC(=O)CC1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000159421952 508839866 /nfs/dbraw/zinc/83/98/66/508839866.db2.gz GZZCDNZISMRSQM-UHFFFAOYSA-N 1 0 371.525 2.663 20 70 FFIDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000159563743 508858690 /nfs/dbraw/zinc/85/86/90/508858690.db2.gz DZQVVJRDEYUYPI-INIZCTEOSA-N 1 0 354.541 2.633 20 70 FFIDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)CN(C)C[C@@H]1CCC[C@@H]1O ZINC000159581853 508861758 /nfs/dbraw/zinc/86/17/58/508861758.db2.gz ASPVJRGXOVCXST-KBPBESRZSA-N 1 0 368.499 2.573 20 70 FFIDRO CC[NH+]1CCC(NC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1 ZINC000159588372 508862090 /nfs/dbraw/zinc/86/20/90/508862090.db2.gz RPBBPXXQKZWYPO-UHFFFAOYSA-N 1 0 357.376 2.878 20 70 FFIDRO C[C@H](O)C1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000159612283 508866337 /nfs/dbraw/zinc/86/63/37/508866337.db2.gz SVDBQERSFUPJKF-BRIRTLKKSA-N 1 0 371.525 2.984 20 70 FFIDRO C[C@H](CNC(=O)N1CCC(C2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000159685872 508875690 /nfs/dbraw/zinc/87/56/90/508875690.db2.gz OSDNJFDKORNJGX-QGZVFWFLSA-N 1 0 351.535 2.957 20 70 FFIDRO Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)n1 ZINC000159728042 508881521 /nfs/dbraw/zinc/88/15/21/508881521.db2.gz QAYANFLBIAFAQW-JSGCOSHPSA-N 1 0 352.276 2.709 20 70 FFIDRO CCCOc1cccc(CCNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000159728279 508881710 /nfs/dbraw/zinc/88/17/10/508881710.db2.gz PQWROQMOJQEADJ-HXUWFJFHSA-N 1 0 362.514 2.927 20 70 FFIDRO Cc1c(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cnn1C ZINC000159816239 508895308 /nfs/dbraw/zinc/89/53/08/508895308.db2.gz QOJVETIXXJHCJA-MRXNPFEDSA-N 1 0 369.513 2.960 20 70 FFIDRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000159833492 508898362 /nfs/dbraw/zinc/89/83/62/508898362.db2.gz CWDGIAGSXZQRGQ-SJORKVTESA-N 1 0 363.465 2.931 20 70 FFIDRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000159833339 508898622 /nfs/dbraw/zinc/89/86/22/508898622.db2.gz CWDGIAGSXZQRGQ-IAGOWNOFSA-N 1 0 363.465 2.931 20 70 FFIDRO COCCOC[C@@H]1CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000159853878 508900791 /nfs/dbraw/zinc/90/07/91/508900791.db2.gz GCQFBQRGIGWFAG-GFCCVEGCSA-N 1 0 368.275 2.810 20 70 FFIDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159895790 508907477 /nfs/dbraw/zinc/90/74/77/508907477.db2.gz HGKMDPYMSJKLEU-RDTXWAMCSA-N 1 0 365.412 2.863 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000159906529 508909001 /nfs/dbraw/zinc/90/90/01/508909001.db2.gz PAHWYVOJWVWSSY-HZPDHXFCSA-N 1 0 353.507 2.670 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCc1cccs1 ZINC000159923884 508911837 /nfs/dbraw/zinc/91/18/37/508911837.db2.gz AEXYIAHJXVBDHL-UONOGXRCSA-N 1 0 355.467 2.684 20 70 FFIDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000159992782 508921324 /nfs/dbraw/zinc/92/13/24/508921324.db2.gz MKLFBYJIEPDFIO-BLLLJJGKSA-N 1 0 354.497 2.678 20 70 FFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000159990397 508922012 /nfs/dbraw/zinc/92/20/12/508922012.db2.gz XEJYWCZCPVLLQQ-MRXNPFEDSA-N 1 0 371.485 2.944 20 70 FFIDRO CCC1(CO)CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159995556 508922833 /nfs/dbraw/zinc/92/28/33/508922833.db2.gz MFSFYXCMTDKDGX-PKOBYXMFSA-N 1 0 359.514 2.701 20 70 FFIDRO C[NH+](C)CC[C@H](NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)C(C)(C)C ZINC000160011270 508925215 /nfs/dbraw/zinc/92/52/15/508925215.db2.gz KBXFHVNZSSMEGV-INIZCTEOSA-N 1 0 362.518 2.937 20 70 FFIDRO CCCCN(C)S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160016189 508926115 /nfs/dbraw/zinc/92/61/15/508926115.db2.gz LSMZOEXDPIQJJN-IEBWSBKVSA-N 1 0 367.559 2.948 20 70 FFIDRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCC(=O)C[C@@H]3C)cc2)CC1 ZINC000160020702 508926797 /nfs/dbraw/zinc/92/67/97/508926797.db2.gz FQSGIFZQQJREJO-OXJNMPFZSA-N 1 0 357.498 2.768 20 70 FFIDRO CC(C)(C(N)=O)c1ccc(NC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000160073762 508934245 /nfs/dbraw/zinc/93/42/45/508934245.db2.gz ZAHFVNBVKTYKHH-UHFFFAOYSA-N 1 0 360.502 2.837 20 70 FFIDRO COc1cc(Cl)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000160092807 508937219 /nfs/dbraw/zinc/93/72/19/508937219.db2.gz MHSSNHYVNWBPMY-WFASDCNBSA-N 1 0 352.862 2.914 20 70 FFIDRO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000160134690 508943869 /nfs/dbraw/zinc/94/38/69/508943869.db2.gz MUHSZCYAVQKECE-YWZLYKJASA-N 1 0 365.518 2.624 20 70 FFIDRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)ccc2O1 ZINC000160156582 508946711 /nfs/dbraw/zinc/94/67/11/508946711.db2.gz VSXBZEACNREUBB-WBVHZDCISA-N 1 0 364.511 2.649 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000160228680 508957751 /nfs/dbraw/zinc/95/77/51/508957751.db2.gz XODUPMOCXFRCBY-DLBZAZTESA-N 1 0 368.424 2.786 20 70 FFIDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCO[C@H](c2ccsc2)C1 ZINC000160241239 508959248 /nfs/dbraw/zinc/95/92/48/508959248.db2.gz ITHUDILWICUTFU-IBGZPJMESA-N 1 0 371.506 2.889 20 70 FFIDRO COc1cccc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160285952 508965051 /nfs/dbraw/zinc/96/50/51/508965051.db2.gz BOOJLSSQZXSRMD-ILXKITPQSA-N 1 0 358.482 2.593 20 70 FFIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000160293408 508965532 /nfs/dbraw/zinc/96/55/32/508965532.db2.gz MNTZIMMILVAYHS-BXUZGUMPSA-N 1 0 354.907 2.994 20 70 FFIDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])nn1-c1ccc(Br)cc1 ZINC000160332398 508971782 /nfs/dbraw/zinc/97/17/82/508971782.db2.gz YXBBCSNTLYKOJO-AWEZNQCLSA-N 1 0 363.259 2.507 20 70 FFIDRO CSc1ccsc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160362944 508975839 /nfs/dbraw/zinc/97/58/39/508975839.db2.gz KIDPOULUQKXWAZ-KBPBESRZSA-N 1 0 354.541 2.968 20 70 FFIDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000160360942 508976065 /nfs/dbraw/zinc/97/60/65/508976065.db2.gz HGDJISLYZYUFKJ-IRXDYDNUSA-N 1 0 374.520 2.727 20 70 FFIDRO CCN(C(=O)N[C@@H](C)c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160359432 508976226 /nfs/dbraw/zinc/97/62/26/508976226.db2.gz KEWAHOHLWGKNDI-QFBILLFUSA-N 1 0 355.486 2.787 20 70 FFIDRO COc1cccc(-c2nc(C)c(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)[nH]2)c1 ZINC000160379928 508978343 /nfs/dbraw/zinc/97/83/43/508978343.db2.gz ADQNXWZXCOHCTN-SJLPKXTDSA-N 1 0 368.481 2.950 20 70 FFIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)C(C)(C)O1 ZINC000160432767 508985775 /nfs/dbraw/zinc/98/57/75/508985775.db2.gz WPWJWZCOVXUVAQ-KRWDZBQOSA-N 1 0 366.527 2.907 20 70 FFIDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000160441051 508987516 /nfs/dbraw/zinc/98/75/16/508987516.db2.gz TYUHQJFLEYIJEJ-CPUCHLNUSA-N 1 0 350.459 2.562 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC2CC2)cc1 ZINC000160475318 508992168 /nfs/dbraw/zinc/99/21/68/508992168.db2.gz ZKMUIVWHVSMBPT-SFTDATJTSA-N 1 0 372.509 2.973 20 70 FFIDRO Cc1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)ccc1C(=O)N(C)C ZINC000160497243 508995135 /nfs/dbraw/zinc/99/51/35/508995135.db2.gz GQPBVZPPGOAEQL-UHFFFAOYSA-N 1 0 360.502 2.939 20 70 FFIDRO Cc1ccc(C(=O)CC[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000160498264 508995518 /nfs/dbraw/zinc/99/55/18/508995518.db2.gz FAZWQLIXZHHPBR-OAHLLOKOSA-N 1 0 360.479 2.908 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000160503483 508995681 /nfs/dbraw/zinc/99/56/81/508995681.db2.gz FECALZQHDPCQEY-WDYCEAGBSA-N 1 0 368.543 2.919 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C2SCCS2)cc1 ZINC000160530515 508998951 /nfs/dbraw/zinc/99/89/51/508998951.db2.gz XEHCZHOZGCSUNQ-MRXNPFEDSA-N 1 0 366.552 2.742 20 70 FFIDRO O=C(Cc1ccc(Cl)cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160558675 509002982 /nfs/dbraw/zinc/00/29/82/509002982.db2.gz KHUMFTQNRNDTHJ-ZWKOTPCHSA-N 1 0 350.890 2.767 20 70 FFIDRO COc1ccccc1CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160559552 509003115 /nfs/dbraw/zinc/00/31/15/509003115.db2.gz BBRFVJMSRYXFSJ-RTBURBONSA-N 1 0 360.498 2.512 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C[C@H]3CCOC3)C3CC3)c2c1 ZINC000160563502 509003530 /nfs/dbraw/zinc/00/35/30/509003530.db2.gz LNFJNFYVLLBVHX-CYBMUJFWSA-N 1 0 356.422 2.638 20 70 FFIDRO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCCc1ccc(Cl)cc1 ZINC000160567764 509004121 /nfs/dbraw/zinc/00/41/21/509004121.db2.gz MBWCQKJNSAWOAQ-APWZRJJASA-N 1 0 350.890 2.626 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000160591175 509007863 /nfs/dbraw/zinc/00/78/63/509007863.db2.gz QBNIECYVBWWISR-QGZVFWFLSA-N 1 0 359.514 2.763 20 70 FFIDRO Cc1ccc(SCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160663385 509016889 /nfs/dbraw/zinc/01/68/89/509016889.db2.gz APHROBPOFWLTIN-RTBURBONSA-N 1 0 362.539 2.971 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(-c2ccccc2)n[nH]1 ZINC000160709315 509023601 /nfs/dbraw/zinc/02/36/01/509023601.db2.gz APVMUGPARTUSHI-WOJBJXKFSA-N 1 0 368.481 2.574 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(-c2ccccc2)n[nH]1 ZINC000160709183 509023648 /nfs/dbraw/zinc/02/36/48/509023648.db2.gz APVMUGPARTUSHI-PMACEKPBSA-N 1 0 368.481 2.574 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(N(C)C)nc2)CC1 ZINC000160732773 509026195 /nfs/dbraw/zinc/02/61/95/509026195.db2.gz LKDXMZCLCLRUKJ-HNNXBMFYSA-N 1 0 368.485 2.890 20 70 FFIDRO CCNC(=O)N1CCc2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc21 ZINC000160773698 509031013 /nfs/dbraw/zinc/03/10/13/509031013.db2.gz LJRATLUGXCJPJU-VHRNVKJDSA-N 1 0 356.470 2.638 20 70 FFIDRO COc1cccc(Cl)c1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160783771 509032465 /nfs/dbraw/zinc/03/24/65/509032465.db2.gz DXSZRAOUTXFHLS-CVEARBPZSA-N 1 0 374.868 2.714 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)NC(=O)NC(C)(C)C ZINC000160848685 509039873 /nfs/dbraw/zinc/03/98/73/509039873.db2.gz ZVDXODAALWPLBH-UONOGXRCSA-N 1 0 357.458 2.536 20 70 FFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C(=O)NC3CC3)cc2)c1 ZINC000160857775 509040735 /nfs/dbraw/zinc/04/07/35/509040735.db2.gz PBCXMDLBCNDXEY-UHFFFAOYSA-N 1 0 365.477 2.961 20 70 FFIDRO COc1cc(N(C)C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000160855334 509040892 /nfs/dbraw/zinc/04/08/92/509040892.db2.gz HPSUYZARAOBEJJ-KBPBESRZSA-N 1 0 350.459 2.701 20 70 FFIDRO COCCCOc1cccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000160906019 509046527 /nfs/dbraw/zinc/04/65/27/509046527.db2.gz HQJUYAHBBUWWIT-MSOLQXFVSA-N 1 0 363.502 2.774 20 70 FFIDRO COCCCOc1cccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000160905598 509046762 /nfs/dbraw/zinc/04/67/62/509046762.db2.gz HQJUYAHBBUWWIT-ZWKOTPCHSA-N 1 0 363.502 2.774 20 70 FFIDRO C[C@H](C(=O)NCc1cccc(NC(=O)N(C)C)c1)[C@H]([NH3+])c1ccccc1 ZINC000160956616 509053415 /nfs/dbraw/zinc/05/34/15/509053415.db2.gz MKKJYAOLLMXREK-KSSFIOAISA-N 1 0 354.454 2.732 20 70 FFIDRO O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000161056445 509065794 /nfs/dbraw/zinc/06/57/94/509065794.db2.gz YVNKFDSPQRHERN-CQSZACIVSA-N 1 0 362.376 2.752 20 70 FFIDRO COc1cccc(-c2ccc(CNC(=O)C[NH2+]C[C@H]3CCCO3)cc2)c1 ZINC000161078626 509068048 /nfs/dbraw/zinc/06/80/48/509068048.db2.gz SZQYHSRDRAUYHI-HXUWFJFHSA-N 1 0 354.450 2.747 20 70 FFIDRO C[C@H](CNC(=O)C1(C[NH3+])CCCC1)Oc1ccccc1Br ZINC000161140433 509076989 /nfs/dbraw/zinc/07/69/89/509076989.db2.gz MWNZRVQFTDECDH-GFCCVEGCSA-N 1 0 355.276 2.852 20 70 FFIDRO C[C@H](O)C[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000161182107 509082023 /nfs/dbraw/zinc/08/20/23/509082023.db2.gz QMBCHNOFWZXMHL-AILXTGBUSA-N 1 0 361.530 2.961 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H](CO)c2ccccc2)CC1 ZINC000161181848 509082065 /nfs/dbraw/zinc/08/20/65/509082065.db2.gz UYNBVLAASKPOCE-OXJNMPFZSA-N 1 0 368.481 2.640 20 70 FFIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000161186903 509082464 /nfs/dbraw/zinc/08/24/64/509082464.db2.gz QIKYHHQFDJEFKJ-GOSISDBHSA-N 1 0 368.477 2.681 20 70 FFIDRO COc1ccc(NC(=O)[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccccc2)cc1 ZINC000161205303 509085451 /nfs/dbraw/zinc/08/54/51/509085451.db2.gz ICBUQPJORIUZDA-PXNSSMCTSA-N 1 0 367.449 2.585 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000161208078 509085697 /nfs/dbraw/zinc/08/56/97/509085697.db2.gz NRMVHDIWNFTIQZ-ZDUSSCGKSA-N 1 0 359.348 2.621 20 70 FFIDRO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000161246917 509091862 /nfs/dbraw/zinc/09/18/62/509091862.db2.gz OOLDRIRILGZQNC-AWEZNQCLSA-N 1 0 355.438 2.974 20 70 FFIDRO CCN(C[C@H]1CCCO1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161305074 509099945 /nfs/dbraw/zinc/09/99/45/509099945.db2.gz QDWHLVUAYMJTHW-VQIMIIECSA-N 1 0 360.502 2.818 20 70 FFIDRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000161312833 509100623 /nfs/dbraw/zinc/10/06/23/509100623.db2.gz PBEOJGCSDGDLBJ-OLZOCXBDSA-N 1 0 367.287 2.726 20 70 FFIDRO CC(C)(C)[NH+]1CCC(NC(=O)CCc2cc3ccccc3[nH]c2=O)CC1 ZINC000161339196 509103585 /nfs/dbraw/zinc/10/35/85/509103585.db2.gz NAXXLMXYJCWIOC-UHFFFAOYSA-N 1 0 355.482 2.840 20 70 FFIDRO C[C@@H](CNC(=O)Nc1cccc(-c2ncn(C)n2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000161401970 509111361 /nfs/dbraw/zinc/11/13/61/509111361.db2.gz VGRSGDCDQCWWFA-CABCVRRESA-N 1 0 356.474 2.724 20 70 FFIDRO CC1(C)CN(C(=O)[C@@H]2CCn3ccnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000161444055 509116347 /nfs/dbraw/zinc/11/63/47/509116347.db2.gz NSEQNMYKXVFKBL-GOSISDBHSA-N 1 0 352.482 2.569 20 70 FFIDRO Cc1cccc(-n2cc(C(=O)N(CC[NH+](C)C)Cc3ccccc3)nn2)c1 ZINC000161501213 509122866 /nfs/dbraw/zinc/12/28/66/509122866.db2.gz MLSNAVJFZZXQKQ-UHFFFAOYSA-N 1 0 363.465 2.780 20 70 FFIDRO CC[N@H+](C)[C@H](C(=O)NC[C@@H](O)c1cc(OC)ccc1OC)c1ccccc1 ZINC000216733872 509263982 /nfs/dbraw/zinc/26/39/82/509263982.db2.gz KNEBAYMRJWNAOF-QUCCMNQESA-N 1 0 372.465 2.546 20 70 FFIDRO O=c1onc(-c2ccccc2)n1C[C@H](O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000217198716 509267736 /nfs/dbraw/zinc/26/77/36/509267736.db2.gz JPRMNKVPKARBCW-NQIIRXRSSA-N 1 0 369.465 2.687 20 70 FFIDRO COc1ccc(O)c(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000218527693 509278153 /nfs/dbraw/zinc/27/81/53/509278153.db2.gz JUKURXTWALSMTQ-GOSISDBHSA-N 1 0 370.449 2.976 20 70 FFIDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(F)c(SC)c2)CC1 ZINC000159364993 508831796 /nfs/dbraw/zinc/83/17/96/508831796.db2.gz IMJCCKHOKRYNMG-CQSZACIVSA-N 1 0 353.507 2.551 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000159373324 508832750 /nfs/dbraw/zinc/83/27/50/508832750.db2.gz QEFMZAQFAIBZMQ-HLLBOEOZSA-N 1 0 354.516 2.793 20 70 FFIDRO Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159429247 508840405 /nfs/dbraw/zinc/84/04/05/508840405.db2.gz WNHSCHZSLRZYAH-CQSZACIVSA-N 1 0 351.878 2.681 20 70 FFIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000159433728 508841475 /nfs/dbraw/zinc/84/14/75/508841475.db2.gz AESQOBZSSLXAAA-HSALFYBXSA-N 1 0 360.498 2.816 20 70 FFIDRO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000159432320 508841610 /nfs/dbraw/zinc/84/16/10/508841610.db2.gz OFHNPYZHXOHVMK-SCLBCKFNSA-N 1 0 357.433 2.565 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc3c2CCCC3)C1 ZINC000159447440 508843299 /nfs/dbraw/zinc/84/32/99/508843299.db2.gz HVNLPBZXMCIDNB-MRXNPFEDSA-N 1 0 357.498 2.598 20 70 FFIDRO CC(C)Cc1ncc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)s1 ZINC000159470030 508847043 /nfs/dbraw/zinc/84/70/43/508847043.db2.gz MXHZDSCQPQEXJE-CQSZACIVSA-N 1 0 359.561 2.635 20 70 FFIDRO CCc1cccc(CC)c1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159480239 508847645 /nfs/dbraw/zinc/84/76/45/508847645.db2.gz DDXXUGXVCBAPPO-MRXNPFEDSA-N 1 0 359.514 2.844 20 70 FFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000159490914 508849424 /nfs/dbraw/zinc/84/94/24/508849424.db2.gz ARWOUBWQVLFQRA-HNNXBMFYSA-N 1 0 359.474 2.703 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000159497181 508850094 /nfs/dbraw/zinc/85/00/94/508850094.db2.gz ZAFMQIWHBCKCLK-HNNXBMFYSA-N 1 0 367.515 2.916 20 70 FFIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CC1 ZINC000159539379 508855701 /nfs/dbraw/zinc/85/57/01/508855701.db2.gz UJKPEWYQPZLBLU-QGZVFWFLSA-N 1 0 373.545 2.688 20 70 FFIDRO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)C[C@@H]1CCC[C@@H]1O ZINC000159566527 508859999 /nfs/dbraw/zinc/85/99/99/508859999.db2.gz UTVAVHAMJNPZST-XIRDDKMYSA-N 1 0 371.437 2.643 20 70 FFIDRO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1OCC(F)(F)F ZINC000159590662 508863034 /nfs/dbraw/zinc/86/30/34/508863034.db2.gz NHDKYGNNOUOEFD-AAEUAGOBSA-N 1 0 360.376 2.722 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)cc1 ZINC000159612994 508866213 /nfs/dbraw/zinc/86/62/13/508866213.db2.gz UFVPOHCAZTUZAA-UHFFFAOYSA-N 1 0 365.477 2.737 20 70 FFIDRO CCOC(=O)CCc1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000159634514 508869476 /nfs/dbraw/zinc/86/94/76/508869476.db2.gz HYDCQPFLXGFVLG-UHFFFAOYSA-N 1 0 359.470 2.742 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000159637754 508869551 /nfs/dbraw/zinc/86/95/51/508869551.db2.gz BXDURCREHWHLBI-OAHLLOKOSA-N 1 0 358.486 2.833 20 70 FFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000159644974 508870122 /nfs/dbraw/zinc/87/01/22/508870122.db2.gz VIDOEVOIRBLADU-WCQYABFASA-N 1 0 365.271 2.811 20 70 FFIDRO O=C(CCCNC(=O)NC1CCCCC1)NCC[NH2+]C1CCCCCC1 ZINC000159649322 508871170 /nfs/dbraw/zinc/87/11/70/508871170.db2.gz MKESJVPPKSGYQT-UHFFFAOYSA-N 1 0 366.550 2.827 20 70 FFIDRO COCCOc1cccc(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000159702937 508877167 /nfs/dbraw/zinc/87/71/67/508877167.db2.gz XWXSVEYBQMYVGM-FQEVSTJZSA-N 1 0 356.466 2.673 20 70 FFIDRO COc1cccc(-c2nc(C)c(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)[nH]2)c1 ZINC000159723415 508880910 /nfs/dbraw/zinc/88/09/10/508880910.db2.gz VFUCQWMSHPGBOA-WMZOPIPTSA-N 1 0 368.481 2.950 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000159763289 508887330 /nfs/dbraw/zinc/88/73/30/508887330.db2.gz DIJGNYVATOEKOL-GJZGRUSLSA-N 1 0 366.531 2.801 20 70 FFIDRO O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159777232 508889264 /nfs/dbraw/zinc/88/92/64/508889264.db2.gz UYBQEHUMBWPSRV-KRWDZBQOSA-N 1 0 355.482 2.568 20 70 FFIDRO Cc1nn(C)c(=O)c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c1C ZINC000159797134 508891706 /nfs/dbraw/zinc/89/17/06/508891706.db2.gz CGMZNWLLQNTEGG-UHFFFAOYSA-N 1 0 368.481 2.881 20 70 FFIDRO COC(=O)Cn1cc(CC[N@H+](Cc2ccc(C(C)C)cc2)C2CC2)nn1 ZINC000159794243 508892111 /nfs/dbraw/zinc/89/21/11/508892111.db2.gz FOSONTPSBMQGTF-UHFFFAOYSA-N 1 0 356.470 2.782 20 70 FFIDRO CCC(C)(C)c1ccc(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000159846887 508900445 /nfs/dbraw/zinc/90/04/45/508900445.db2.gz WPGBRJBPCHQJKX-QGZVFWFLSA-N 1 0 360.546 2.809 20 70 FFIDRO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159851186 508900909 /nfs/dbraw/zinc/90/09/09/508900909.db2.gz LNSHKTVIPWKZJE-CABCVRRESA-N 1 0 358.486 2.818 20 70 FFIDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC(=O)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000159913739 508911155 /nfs/dbraw/zinc/91/11/55/508911155.db2.gz SBRATCOWGMSLSW-ZGPJWRFFSA-N 1 0 372.509 2.917 20 70 FFIDRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159949482 508915791 /nfs/dbraw/zinc/91/57/91/508915791.db2.gz BFXKQCRUJXRPHY-HUUCEWRRSA-N 1 0 365.437 2.954 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(n2ccnc2)CC1 ZINC000159965252 508918648 /nfs/dbraw/zinc/91/86/48/508918648.db2.gz UUVPKQXGNACHRH-XLIONFOSSA-N 1 0 367.497 2.750 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(OC)ccc2OC(F)F)CC1 ZINC000159970612 508918985 /nfs/dbraw/zinc/91/89/85/508918985.db2.gz DNLRPOKEOLUXCT-UHFFFAOYSA-N 1 0 357.401 2.534 20 70 FFIDRO CC(C)[C@@H](CNC(=O)[C@H](C)Oc1cccc(CO)c1)[NH+]1CCC(C)CC1 ZINC000160008021 508924279 /nfs/dbraw/zinc/92/42/79/508924279.db2.gz BULIPTNHGJNSMI-FXAWDEMLSA-N 1 0 362.514 2.819 20 70 FFIDRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160042604 508929846 /nfs/dbraw/zinc/92/98/46/508929846.db2.gz WNBVWQATWXCMRZ-WCFLWFBJSA-N 1 0 371.250 2.708 20 70 FFIDRO COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000160173845 508949721 /nfs/dbraw/zinc/94/97/21/508949721.db2.gz LYSPTRGMWOWODS-QGZVFWFLSA-N 1 0 366.527 2.951 20 70 FFIDRO CC[N@H+](CCNC(=O)CCSc1ccc2c(c1)OCCO2)C(C)C ZINC000160176327 508949866 /nfs/dbraw/zinc/94/98/66/508949866.db2.gz WXMRYAUNAOMDNB-UHFFFAOYSA-N 1 0 352.500 2.787 20 70 FFIDRO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000160221691 508957018 /nfs/dbraw/zinc/95/70/18/508957018.db2.gz WUPBACOMVCDIDI-IEBWSBKVSA-N 1 0 357.498 2.729 20 70 FFIDRO O=C(CCC(=O)c1cccs1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160238758 508958232 /nfs/dbraw/zinc/95/82/32/508958232.db2.gz BBNYAKQXYPLUIF-JKSUJKDBSA-N 1 0 364.511 2.595 20 70 FFIDRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160244900 508960109 /nfs/dbraw/zinc/96/01/09/508960109.db2.gz ZSPMJHXXCCZNNN-ROUUACIJSA-N 1 0 362.514 2.849 20 70 FFIDRO C[N@H+](CCNC(=O)Nc1ccn(CC(F)(F)F)n1)Cc1ccccc1 ZINC000160289296 508965886 /nfs/dbraw/zinc/96/58/86/508965886.db2.gz HHNRMRKUUXPIPH-UHFFFAOYSA-N 1 0 355.364 2.699 20 70 FFIDRO Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[C@@H]2O)[NH+]2CCCC2)cc1 ZINC000160315668 508969384 /nfs/dbraw/zinc/96/93/84/508969384.db2.gz WSXUUQOWYRBIEN-AABGKKOBSA-N 1 0 359.514 2.934 20 70 FFIDRO O=C(C[C@H](c1ccccc1)C(F)(F)F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160324823 508970765 /nfs/dbraw/zinc/97/07/65/508970765.db2.gz SMJOQOKJWULQFL-HZPDHXFCSA-N 1 0 358.404 2.686 20 70 FFIDRO C[N@H+](CCNC(=O)Nc1ccn(CC(F)(F)F)n1)Cc1ccc(F)cc1 ZINC000160333600 508971764 /nfs/dbraw/zinc/97/17/64/508971764.db2.gz SBSMJLFPWAUJPN-UHFFFAOYSA-N 1 0 373.354 2.838 20 70 FFIDRO CC(C)Oc1ccccc1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160361580 508975744 /nfs/dbraw/zinc/97/57/44/508975744.db2.gz CSAPDGMYFMWXEO-WOJBJXKFSA-N 1 0 374.525 2.900 20 70 FFIDRO CC(C)Oc1ccccc1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160361362 508976144 /nfs/dbraw/zinc/97/61/44/508976144.db2.gz CSAPDGMYFMWXEO-UXHICEINSA-N 1 0 374.525 2.900 20 70 FFIDRO C[C@H]1C[C@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)C[N@@H+]1Cc1ccccc1 ZINC000160397216 508980947 /nfs/dbraw/zinc/98/09/47/508980947.db2.gz KEWKOVUZFBCNCV-MEGFKASBSA-N 1 0 365.477 2.607 20 70 FFIDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(-c2ccncc2)c1 ZINC000160455635 508988878 /nfs/dbraw/zinc/98/88/78/508988878.db2.gz HJZWFDPZWZWUPG-KRWDZBQOSA-N 1 0 366.509 2.952 20 70 FFIDRO CCOC(=O)COc1ccc(CC[NH2+]Cc2ccccc2NC(C)=O)cc1 ZINC000160503141 508995859 /nfs/dbraw/zinc/99/58/59/508995859.db2.gz JJMHKWZVGHUIFE-UHFFFAOYSA-N 1 0 370.449 2.919 20 70 FFIDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCOCc2ccc(Cl)cc2)C1 ZINC000160542504 509000232 /nfs/dbraw/zinc/00/02/32/509000232.db2.gz YLKUYQQMWMEKQL-MRXNPFEDSA-N 1 0 353.894 2.840 20 70 FFIDRO Cc1c([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cnn1-c1ccc(F)cc1 ZINC000160547759 509000976 /nfs/dbraw/zinc/00/09/76/509000976.db2.gz MNULGFBSLUDFDE-SNVBAGLBSA-N 1 0 358.339 2.649 20 70 FFIDRO C[N@H+](CC(=O)N1CCCCC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160548167 509001020 /nfs/dbraw/zinc/00/10/20/509001020.db2.gz PCSXEDOYQZNHAQ-SJPCQFCGSA-N 1 0 365.518 2.861 20 70 FFIDRO Cc1nc2ccccn2c1CN(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000160551090 509001790 /nfs/dbraw/zinc/00/17/90/509001790.db2.gz YCQUNEZUFIVYAT-UHFFFAOYSA-N 1 0 363.509 2.897 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C[C@@H]3CCOC3)C3CC3)c2c1 ZINC000160563378 509003810 /nfs/dbraw/zinc/00/38/10/509003810.db2.gz LNFJNFYVLLBVHX-ZDUSSCGKSA-N 1 0 356.422 2.638 20 70 FFIDRO Cc1cc(C)c(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(C)c1 ZINC000160574916 509004490 /nfs/dbraw/zinc/00/44/90/509004490.db2.gz CIEKXKUWXRGTJE-WOJBJXKFSA-N 1 0 352.478 2.977 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000160582025 509006189 /nfs/dbraw/zinc/00/61/89/509006189.db2.gz XUFLSTROYGDFSF-QGZVFWFLSA-N 1 0 359.514 2.905 20 70 FFIDRO C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160644324 509013798 /nfs/dbraw/zinc/01/37/98/509013798.db2.gz HTYCTDANCYTYBH-FPMFFAJLSA-N 1 0 353.260 2.569 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3)n2)C1 ZINC000160647249 509013718 /nfs/dbraw/zinc/01/37/18/509013718.db2.gz NXQAWSNGTVVMIH-XVJNWHFHSA-N 1 0 370.478 2.661 20 70 FFIDRO Cc1ccc(SCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160663115 509016776 /nfs/dbraw/zinc/01/67/76/509016776.db2.gz APHROBPOFWLTIN-MOPGFXCFSA-N 1 0 362.539 2.971 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000160679490 509019329 /nfs/dbraw/zinc/01/93/29/509019329.db2.gz SEESLMIBTSARDE-CYBMUJFWSA-N 1 0 355.276 2.553 20 70 FFIDRO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160692437 509021090 /nfs/dbraw/zinc/02/10/90/509021090.db2.gz IGJLSCLUXGRRFG-GASCZTMLSA-N 1 0 360.845 2.676 20 70 FFIDRO Cn1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000160713652 509023322 /nfs/dbraw/zinc/02/33/22/509023322.db2.gz BFUWVWZLQRRMAP-ZWKOTPCHSA-N 1 0 363.461 2.544 20 70 FFIDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000160718940 509024489 /nfs/dbraw/zinc/02/44/89/509024489.db2.gz COGILDDSWXBUQJ-UHFFFAOYSA-N 1 0 357.498 2.773 20 70 FFIDRO CN(CCCOc1cccc(S(C)(=O)=O)c1)CCC[NH+]1CCCCC1 ZINC000160736775 509026561 /nfs/dbraw/zinc/02/65/61/509026561.db2.gz ABFRPUSFBRCWLY-UHFFFAOYSA-N 1 0 368.543 2.667 20 70 FFIDRO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160735042 509026903 /nfs/dbraw/zinc/02/69/03/509026903.db2.gz AOHIHWZPZUJHGV-SJLPKXTDSA-N 1 0 364.436 2.639 20 70 FFIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccc(F)cc1 ZINC000160782727 509032798 /nfs/dbraw/zinc/03/27/98/509032798.db2.gz IUXAWIOWRKZTOM-LJQANCHMSA-N 1 0 369.440 2.639 20 70 FFIDRO Cc1c(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cnn1C ZINC000160805896 509034641 /nfs/dbraw/zinc/03/46/41/509034641.db2.gz ONJJYZSPOIMWJX-HNNXBMFYSA-N 1 0 361.515 2.501 20 70 FFIDRO O=C(c1cnc(C(F)(F)F)nc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000160810961 509035535 /nfs/dbraw/zinc/03/55/35/509035535.db2.gz WXQXBUJEZGITLJ-SMDDNHRTSA-N 1 0 354.376 2.584 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000160809239 509035569 /nfs/dbraw/zinc/03/55/69/509035569.db2.gz HHXMEEJZXSWPSS-DNVCBOLYSA-N 1 0 362.495 2.759 20 70 FFIDRO Cc1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)n(Cc2ccccn2)n1 ZINC000160840010 509038333 /nfs/dbraw/zinc/03/83/33/509038333.db2.gz KCOGQANMNLKSJW-UHFFFAOYSA-N 1 0 370.501 2.877 20 70 FFIDRO Cc1cc(N2CCOCC2)ccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000160840867 509039534 /nfs/dbraw/zinc/03/95/34/509039534.db2.gz MHADUBIGWLVINI-YLJYHZDGSA-N 1 0 372.513 2.780 20 70 FFIDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000160855239 509040708 /nfs/dbraw/zinc/04/07/08/509040708.db2.gz QEZRDAHLDOYGMD-HOTGVXAUSA-N 1 0 374.520 2.725 20 70 FFIDRO COc1cc(N(C)C(=O)[C@@H]2[NH2+]CCc3ccccc32)cc(OC)c1OC ZINC000160856801 509040741 /nfs/dbraw/zinc/04/07/41/509040741.db2.gz LKQXEQOHPUNCFL-GOSISDBHSA-N 1 0 356.422 2.562 20 70 FFIDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000160897208 509044742 /nfs/dbraw/zinc/04/47/42/509044742.db2.gz GFJMJDCUUOFWOG-HNNXBMFYSA-N 1 0 357.498 2.819 20 70 FFIDRO Cc1ccsc1[C@@H](CO)NC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000160940576 509051156 /nfs/dbraw/zinc/05/11/56/509051156.db2.gz CUBAZHVZPVZGJP-HZPDHXFCSA-N 1 0 353.532 2.900 20 70 FFIDRO Cc1noc(C)c1S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160970992 509054867 /nfs/dbraw/zinc/05/48/67/509054867.db2.gz WKODCKIGKBMHOS-UHFFFAOYSA-N 1 0 355.504 2.613 20 70 FFIDRO COC(=O)CCC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160996294 509057880 /nfs/dbraw/zinc/05/78/80/509057880.db2.gz KIWXOWAVWMFGCZ-SFHVURJKSA-N 1 0 367.534 2.872 20 70 FFIDRO CCN(Cc1ccccn1)[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000161078870 509067883 /nfs/dbraw/zinc/06/78/83/509067883.db2.gz QWMKWVUCPLNLSR-QGZVFWFLSA-N 1 0 368.481 2.664 20 70 FFIDRO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161232990 509089941 /nfs/dbraw/zinc/08/99/41/509089941.db2.gz FPTJUALGSDHSOD-WBVHZDCISA-N 1 0 361.404 2.678 20 70 FFIDRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1cccc(C(F)(F)F)c1 ZINC000161261882 509094393 /nfs/dbraw/zinc/09/43/93/509094393.db2.gz RFJNQPXRIHQHNR-CYBMUJFWSA-N 1 0 373.419 2.865 20 70 FFIDRO C[C@]1(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)CCC[NH2+]C1 ZINC000161297382 509098969 /nfs/dbraw/zinc/09/89/69/509098969.db2.gz UCKBYOIOLTVJEI-IBGZPJMESA-N 1 0 373.478 2.816 20 70 FFIDRO CCC(CC)(CNC(=O)C(=O)Nc1nocc1C)[NH2+][C@H](C)c1ccccc1 ZINC000161305049 509099541 /nfs/dbraw/zinc/09/95/41/509099541.db2.gz OQRIMQFSDMDCPA-OAHLLOKOSA-N 1 0 372.469 2.947 20 70 FFIDRO O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(Br)c[nH]1 ZINC000161330655 509102569 /nfs/dbraw/zinc/10/25/69/509102569.db2.gz WPRUETWMQSSQSR-UHFFFAOYSA-N 1 0 364.243 2.862 20 70 FFIDRO CN1CCO[C@H](CNC(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000161329948 509102651 /nfs/dbraw/zinc/10/26/51/509102651.db2.gz RNUSITWEJLMMEL-SNVBAGLBSA-N 1 0 362.655 2.555 20 70 FFIDRO CN(C(=O)COc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161367889 509107852 /nfs/dbraw/zinc/10/78/52/509107852.db2.gz PCPKKFUGRUKOMW-PBWFPOADSA-N 1 0 353.260 2.569 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCc3ccc(OC)cc32)c1 ZINC000161426568 509114940 /nfs/dbraw/zinc/11/49/40/509114940.db2.gz YKDYLZIQHKPOBF-YJYMSZOUSA-N 1 0 360.479 2.941 20 70 FFIDRO COc1cc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)ccc1S(C)(=O)=O ZINC000161488724 509121517 /nfs/dbraw/zinc/12/15/17/509121517.db2.gz WKWXZEYPPLOKSQ-RHSMWYFYSA-N 1 0 363.479 2.525 20 70 FFIDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000161497320 509121978 /nfs/dbraw/zinc/12/19/78/509121978.db2.gz OFLNVVRSQKGTAL-UHFFFAOYSA-N 1 0 365.477 2.783 20 70 FFIDRO CCc1cnc(NC(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)s1 ZINC000161503442 509122600 /nfs/dbraw/zinc/12/26/00/509122600.db2.gz ONNKGHWLXASRNK-SJORKVTESA-N 1 0 372.494 2.823 20 70 FFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccccc2Cn2cncn2)CC1 ZINC000159423584 508839942 /nfs/dbraw/zinc/83/99/42/508839942.db2.gz ORPZYXCJWPMJNX-UHFFFAOYSA-N 1 0 356.474 2.568 20 70 FFIDRO O=C(c1ccccc1Cl)N1CCC([NH2+]CCCN2CCCC2=O)CC1 ZINC000159467519 508846158 /nfs/dbraw/zinc/84/61/58/508846158.db2.gz CSZLFTMJFMWSID-UHFFFAOYSA-N 1 0 363.889 2.547 20 70 FFIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CC1 ZINC000159539237 508855207 /nfs/dbraw/zinc/85/52/07/508855207.db2.gz UJKPEWYQPZLBLU-KRWDZBQOSA-N 1 0 373.545 2.688 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000159611585 508865159 /nfs/dbraw/zinc/86/51/59/508865159.db2.gz FYECDIKCQJDYBP-UHFFFAOYSA-N 1 0 357.401 2.534 20 70 FFIDRO COCCCOc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000159611758 508865231 /nfs/dbraw/zinc/86/52/31/508865231.db2.gz CNEFCRYUSLXMNF-QGZVFWFLSA-N 1 0 363.502 2.776 20 70 FFIDRO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000159629775 508868576 /nfs/dbraw/zinc/86/85/76/508868576.db2.gz JTWDYJRTFIBRSZ-NRFANRHFSA-N 1 0 369.440 2.910 20 70 FFIDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCCn1cccc1 ZINC000159665215 508873729 /nfs/dbraw/zinc/87/37/29/508873729.db2.gz IGONWOMAAZYCPT-LJQANCHMSA-N 1 0 354.498 2.595 20 70 FFIDRO CCC(CC)(C[NH2+]CC(=O)N1CCCc2cc(OC)ccc21)C(=O)OC ZINC000159684121 508874942 /nfs/dbraw/zinc/87/49/42/508874942.db2.gz QZFOVBHQLZNKCW-UHFFFAOYSA-N 1 0 362.470 2.543 20 70 FFIDRO O=C(CCSc1ccc2c(c1)OCCCO2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159690100 508875727 /nfs/dbraw/zinc/87/57/27/508875727.db2.gz LFUCSGJFVQBWSZ-GASCZTMLSA-N 1 0 362.495 2.683 20 70 FFIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)NC(C)C ZINC000159727373 508881422 /nfs/dbraw/zinc/88/14/22/508881422.db2.gz XQUBNXAPFQHGDT-IBGZPJMESA-N 1 0 374.529 2.727 20 70 FFIDRO CN1CC[NH+](CCCCNC(=O)Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000159779013 508889653 /nfs/dbraw/zinc/88/96/53/508889653.db2.gz NDYNWKFJOOQSQT-UHFFFAOYSA-N 1 0 362.905 2.508 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000159789036 508890898 /nfs/dbraw/zinc/89/08/98/508890898.db2.gz RSNGTAGTAMUFPJ-INIZCTEOSA-N 1 0 369.893 2.974 20 70 FFIDRO COc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](C)C2)[NH+](C)C)cc1OC ZINC000159802092 508892784 /nfs/dbraw/zinc/89/27/84/508892784.db2.gz WZKCJLKHEGECNW-VYDXJSESSA-N 1 0 363.502 2.994 20 70 FFIDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159896029 508907228 /nfs/dbraw/zinc/90/72/28/508907228.db2.gz HGKMDPYMSJKLEU-KDOFPFPSSA-N 1 0 365.412 2.863 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](C)N2CCc3ccccc32)cc1 ZINC000159936593 508914058 /nfs/dbraw/zinc/91/40/58/508914058.db2.gz XQESCMGYIPTPQK-HOTGVXAUSA-N 1 0 373.522 2.697 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000159937678 508914182 /nfs/dbraw/zinc/91/41/82/508914182.db2.gz YXADFKQEVWREHQ-HXUWFJFHSA-N 1 0 352.478 2.782 20 70 FFIDRO COc1cc(F)c([C@H](C)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1OC ZINC000159963637 508918365 /nfs/dbraw/zinc/91/83/65/508918365.db2.gz AZGZUKHPECOVNM-YVEFUNNKSA-N 1 0 358.413 2.735 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)N2CCC(n3ccnc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000159987380 508920393 /nfs/dbraw/zinc/92/03/93/508920393.db2.gz RXZCFQMVPXQBSV-MJGOQNOKSA-N 1 0 367.497 2.893 20 70 FFIDRO CCC(CC)(CCO)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159987068 508920631 /nfs/dbraw/zinc/92/06/31/508920631.db2.gz GVAGSDXQNKOZLX-PKOBYXMFSA-N 1 0 361.530 2.995 20 70 FFIDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000159992585 508921473 /nfs/dbraw/zinc/92/14/73/508921473.db2.gz MKLFBYJIEPDFIO-LRDDRELGSA-N 1 0 354.497 2.678 20 70 FFIDRO C[C@H](Sc1ccccc1Cl)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160023782 508927675 /nfs/dbraw/zinc/92/76/75/508927675.db2.gz NBFWPRFBPLSQDC-KBPBESRZSA-N 1 0 356.919 2.784 20 70 FFIDRO CSCC[C@@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000160052199 508931028 /nfs/dbraw/zinc/93/10/28/508931028.db2.gz HZYKHPHXLTUASE-CYBMUJFWSA-N 1 0 357.317 2.677 20 70 FFIDRO CCOc1cc(CCCNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)ccc1OC ZINC000160063044 508932590 /nfs/dbraw/zinc/93/25/90/508932590.db2.gz OVBGQGNAHGDZJV-IBGZPJMESA-N 1 0 368.477 2.857 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000160106488 508939763 /nfs/dbraw/zinc/93/97/63/508939763.db2.gz UKWHMQWZYGBJGM-INIZCTEOSA-N 1 0 360.502 2.751 20 70 FFIDRO CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160185280 508951337 /nfs/dbraw/zinc/95/13/37/508951337.db2.gz IHLWBKBLSHMWDU-GFCCVEGCSA-N 1 0 355.467 2.914 20 70 FFIDRO COC(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000160198162 508952675 /nfs/dbraw/zinc/95/26/75/508952675.db2.gz NQCMTSJWDGNLBA-SJLPKXTDSA-N 1 0 373.497 2.807 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000160207875 508954134 /nfs/dbraw/zinc/95/41/34/508954134.db2.gz JXDHCLVNFWYABT-UHFFFAOYSA-N 1 0 361.486 2.636 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000160249868 508959709 /nfs/dbraw/zinc/95/97/09/508959709.db2.gz CAVGPSQRWUBQBQ-QGZVFWFLSA-N 1 0 351.535 2.813 20 70 FFIDRO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000160244933 508960264 /nfs/dbraw/zinc/96/02/64/508960264.db2.gz VZGJZBRBPCROAU-FXAWDEMLSA-N 1 0 371.525 2.588 20 70 FFIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)c1c[nH]nc1-c1ccccc1F ZINC000160265432 508962463 /nfs/dbraw/zinc/96/24/63/508962463.db2.gz GGYYGVWBKZHVQX-UHFFFAOYSA-N 1 0 374.460 2.646 20 70 FFIDRO COc1ccccc1/C(C)=C/C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160297568 508966553 /nfs/dbraw/zinc/96/65/53/508966553.db2.gz SKSJYZVWWBCCFU-HEQKZDDYSA-N 1 0 372.509 2.983 20 70 FFIDRO O=C(CCCc1ncc(-c2ccccc2)o1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160305435 508967533 /nfs/dbraw/zinc/96/75/33/508967533.db2.gz ZOGWWROPXZXDML-SFHVURJKSA-N 1 0 371.481 2.627 20 70 FFIDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](CCO)CSC ZINC000160320172 508970078 /nfs/dbraw/zinc/97/00/78/508970078.db2.gz ICNQWDRUJKTQHX-DGCLKSJQSA-N 1 0 360.907 2.769 20 70 FFIDRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160329289 508971868 /nfs/dbraw/zinc/97/18/68/508971868.db2.gz JXJBNYJLLVMMTN-HOCLYGCPSA-N 1 0 369.303 2.594 20 70 FFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000160358070 508975038 /nfs/dbraw/zinc/97/50/38/508975038.db2.gz KUTUVLQTUKYKMF-OAHLLOKOSA-N 1 0 353.451 2.559 20 70 FFIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000160371602 508977731 /nfs/dbraw/zinc/97/77/31/508977731.db2.gz LTXNRGYKIGLXRN-HZPDHXFCSA-N 1 0 356.495 2.946 20 70 FFIDRO CCc1ccc([C@@H](CNC(=O)CCC(=O)NC2CCCC2)[NH+](C)C)cc1 ZINC000160377326 508978282 /nfs/dbraw/zinc/97/82/82/508978282.db2.gz AQBIIUGADZSLMA-LJQANCHMSA-N 1 0 359.514 2.807 20 70 FFIDRO C[C@@H](c1nc(Cc2ccccc2)no1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160411877 508982903 /nfs/dbraw/zinc/98/29/03/508982903.db2.gz IDFJHEWIZQVDFO-KRWDZBQOSA-N 1 0 370.497 2.766 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN2CCCC2=O)c1 ZINC000160412686 508983840 /nfs/dbraw/zinc/98/38/40/508983840.db2.gz PRZJZORIVPAHNJ-LJQANCHMSA-N 1 0 357.498 2.659 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000160503208 508995606 /nfs/dbraw/zinc/99/56/06/508995606.db2.gz FECALZQHDPCQEY-IEZWGBDMSA-N 1 0 368.543 2.919 20 70 FFIDRO CCCOc1c(Br)cc(C(=O)N2CC[C@@H]([NH2+]C)C2)cc1OC ZINC000160598106 509008644 /nfs/dbraw/zinc/00/86/44/509008644.db2.gz MHAFRZUMTIHQAD-GFCCVEGCSA-N 1 0 371.275 2.680 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000160591279 509007822 /nfs/dbraw/zinc/00/78/22/509007822.db2.gz QBNIECYVBWWISR-KRWDZBQOSA-N 1 0 359.514 2.763 20 70 FFIDRO C[C@]1(O)CCCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000160591807 509007941 /nfs/dbraw/zinc/00/79/41/509007941.db2.gz IQCOEAJEMBVVLJ-IBGZPJMESA-N 1 0 363.527 2.657 20 70 FFIDRO COc1ccccc1/C=C/C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160603831 509009029 /nfs/dbraw/zinc/00/90/29/509009029.db2.gz DTKDLHWZPWOZKR-VIBWXPCQSA-N 1 0 358.482 2.593 20 70 FFIDRO Cc1nc(C2CCCC2)sc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160609323 509009922 /nfs/dbraw/zinc/00/99/22/509009922.db2.gz QKZAAOJLAMZZLK-HNNXBMFYSA-N 1 0 351.516 2.686 20 70 FFIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000160612637 509010033 /nfs/dbraw/zinc/01/00/33/509010033.db2.gz OPLBMQIPLSJKJZ-SJORKVTESA-N 1 0 372.575 2.559 20 70 FFIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000160617606 509010647 /nfs/dbraw/zinc/01/06/47/509010647.db2.gz LHODTFPNUAFYGO-LSDHHAIUSA-N 1 0 371.308 2.917 20 70 FFIDRO C[NH+](C)C[C@@H]1CCN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000160679277 509018727 /nfs/dbraw/zinc/01/87/27/509018727.db2.gz PLIQLKFXBQEJST-INIZCTEOSA-N 1 0 361.486 2.838 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(-c2ccccc2)n[nH]1 ZINC000160709048 509023621 /nfs/dbraw/zinc/02/36/21/509023621.db2.gz APVMUGPARTUSHI-UXHICEINSA-N 1 0 368.481 2.574 20 70 FFIDRO CCOc1ccccc1CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160747590 509028108 /nfs/dbraw/zinc/02/81/08/509028108.db2.gz IVIQIGKOLREYTE-WOJBJXKFSA-N 1 0 374.525 2.902 20 70 FFIDRO COCCCN(Cc1ccncc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160798571 509034146 /nfs/dbraw/zinc/03/41/46/509034146.db2.gz BCCKDEJNOGCKNR-SFHVURJKSA-N 1 0 360.502 2.647 20 70 FFIDRO Cc1c(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cnn1C ZINC000160805991 509034814 /nfs/dbraw/zinc/03/48/14/509034814.db2.gz ONJJYZSPOIMWJX-OAHLLOKOSA-N 1 0 361.515 2.501 20 70 FFIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2cc(OC)ccc2Br)C1 ZINC000160825213 509037179 /nfs/dbraw/zinc/03/71/79/509037179.db2.gz IXIVBTYEIDZXRY-CQSZACIVSA-N 1 0 369.303 2.943 20 70 FFIDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H](O)c1ccsc1 ZINC000160838888 509038385 /nfs/dbraw/zinc/03/83/85/509038385.db2.gz VYARSJUGTHSLFN-ZWKOTPCHSA-N 1 0 359.495 2.918 20 70 FFIDRO CCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000160887107 509043671 /nfs/dbraw/zinc/04/36/71/509043671.db2.gz IETJHGGQUAVOJP-DGCLKSJQSA-N 1 0 363.239 2.809 20 70 FFIDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(NC(N)=O)cc1 ZINC000160895529 509045319 /nfs/dbraw/zinc/04/53/19/509045319.db2.gz XLLVATZFPQRNJN-CZUORRHYSA-N 1 0 359.474 2.554 20 70 FFIDRO CCOC(=O)CC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160926849 509048781 /nfs/dbraw/zinc/04/87/81/509048781.db2.gz ICEPJZPEGLGKMH-SFHVURJKSA-N 1 0 367.534 2.872 20 70 FFIDRO COC(=O)CCC1CC[NH+]([C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000160923476 509048947 /nfs/dbraw/zinc/04/89/47/509048947.db2.gz RJSBXZHTHMIWNL-SFHVURJKSA-N 1 0 362.445 2.986 20 70 FFIDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000160966333 509053945 /nfs/dbraw/zinc/05/39/45/509053945.db2.gz JIPBIIUUMWKOFC-HKUYNNGSSA-N 1 0 361.530 2.962 20 70 FFIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000160979403 509056457 /nfs/dbraw/zinc/05/64/57/509056457.db2.gz DKTNFMSRFPWQLJ-OAHLLOKOSA-N 1 0 370.449 2.824 20 70 FFIDRO CCCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160984776 509056624 /nfs/dbraw/zinc/05/66/24/509056624.db2.gz QBBBAQZUKHGQBH-HNNXBMFYSA-N 1 0 353.466 2.705 20 70 FFIDRO CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC000161008244 509059434 /nfs/dbraw/zinc/05/94/34/509059434.db2.gz POTZMZHRCQGDEJ-GOSISDBHSA-N 1 0 360.479 2.723 20 70 FFIDRO O=C(NCc1nc(C2CC2)cs1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000161035776 509063035 /nfs/dbraw/zinc/06/30/35/509063035.db2.gz OVXNUVHATIVUEN-UHFFFAOYSA-N 1 0 371.510 2.879 20 70 FFIDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1C ZINC000161034962 509063131 /nfs/dbraw/zinc/06/31/31/509063131.db2.gz BAUHYQSNUFJVAC-INIZCTEOSA-N 1 0 353.466 2.678 20 70 FFIDRO C[NH+]1CCN(Cc2cccc(NC(=O)C[C@@H]3CSCCS3)c2)CC1 ZINC000161040597 509063818 /nfs/dbraw/zinc/06/38/18/509063818.db2.gz FXWNTQJHZZGVAZ-QGZVFWFLSA-N 1 0 365.568 2.611 20 70 FFIDRO COc1cc(OC)c(NC(=O)N(C)CCC[NH+](C)C)cc1Br ZINC000161051060 509065319 /nfs/dbraw/zinc/06/53/19/509065319.db2.gz PWSRNHKRVLHMEI-UHFFFAOYSA-N 1 0 374.279 2.882 20 70 FFIDRO COc1ccc(COCCC[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000161097384 509071200 /nfs/dbraw/zinc/07/12/00/509071200.db2.gz XSONWPVMNPCTHG-MRXNPFEDSA-N 1 0 367.453 2.928 20 70 FFIDRO CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000161135016 509076283 /nfs/dbraw/zinc/07/62/83/509076283.db2.gz MIVYUPVHTBDEJE-UHFFFAOYSA-N 1 0 371.525 2.973 20 70 FFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000161158360 509079218 /nfs/dbraw/zinc/07/92/18/509079218.db2.gz GKNFEFAZOSOHRF-HOTGVXAUSA-N 1 0 363.502 2.885 20 70 FFIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161169410 509079978 /nfs/dbraw/zinc/07/99/78/509079978.db2.gz LZZINFDAXCQOFK-FQEVSTJZSA-N 1 0 373.541 2.783 20 70 FFIDRO CCC[C@@H](CCO)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161174296 509080726 /nfs/dbraw/zinc/08/07/26/509080726.db2.gz IILPIIXEFVBGRJ-SJORKVTESA-N 1 0 362.518 2.705 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)cc2)n1 ZINC000161187449 509082585 /nfs/dbraw/zinc/08/25/85/509082585.db2.gz DTRYOTQEBNTLPK-GOSISDBHSA-N 1 0 368.485 2.868 20 70 FFIDRO CN(C[C@H]1CCC[C@@H]1O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000161193523 509084066 /nfs/dbraw/zinc/08/40/66/509084066.db2.gz ICLISGWALHCGKB-SJORKVTESA-N 1 0 369.575 2.541 20 70 FFIDRO CN1C[C@H]([NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CCC1=O ZINC000161201753 509085169 /nfs/dbraw/zinc/08/51/69/509085169.db2.gz ZEOQKWOAIOREBC-MJGOQNOKSA-N 1 0 355.413 2.716 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000161206100 509085644 /nfs/dbraw/zinc/08/56/44/509085644.db2.gz OTNVIGQXQFYIGC-UHFFFAOYSA-N 1 0 373.291 2.848 20 70 FFIDRO C[C@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000161215030 509087480 /nfs/dbraw/zinc/08/74/80/509087480.db2.gz MBJGXWWVYQJPII-CYBMUJFWSA-N 1 0 359.392 2.875 20 70 FFIDRO COc1ccccc1[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)N1CCCC1 ZINC000161218741 509087536 /nfs/dbraw/zinc/08/75/36/509087536.db2.gz HVLUGURPEAQZIS-AFMYVXGZSA-N 1 0 359.514 2.869 20 70 FFIDRO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161233368 509089713 /nfs/dbraw/zinc/08/97/13/509089713.db2.gz FPTJUALGSDHSOD-DOTOQJQBSA-N 1 0 361.404 2.678 20 70 FFIDRO O=C(N[C@@H]1CCN(c2ccccn2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000161277391 509095517 /nfs/dbraw/zinc/09/55/17/509095517.db2.gz JEKPOPPVNQQULZ-WOJBJXKFSA-N 1 0 364.493 2.689 20 70 FFIDRO C[C@H](CC(=O)NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000161305022 509099843 /nfs/dbraw/zinc/09/98/43/509099843.db2.gz WNDKUBJQLSAPKS-HZPDHXFCSA-N 1 0 358.461 2.696 20 70 FFIDRO CCc1cccc(NC(=O)CNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000161370164 509107548 /nfs/dbraw/zinc/10/75/48/509107548.db2.gz LQQBYRKPMUVTFR-UHFFFAOYSA-N 1 0 374.529 2.951 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2)c1 ZINC000161456176 509117000 /nfs/dbraw/zinc/11/70/00/509117000.db2.gz AMSSQNLYMACDAM-NVXWUHKLSA-N 1 0 359.495 2.524 20 70 FFIDRO CN(CCC[NH+]1CCCCC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000161464603 509119026 /nfs/dbraw/zinc/11/90/26/509119026.db2.gz VDSKFNFHFGXYAX-INIZCTEOSA-N 1 0 368.319 2.783 20 70 FFIDRO CCN1CC[NH+](CCCCNC(=O)c2ccc3nc(C)ccc3c2)CC1 ZINC000161505490 509123051 /nfs/dbraw/zinc/12/30/51/509123051.db2.gz PTNFPMJTTDMJGD-UHFFFAOYSA-N 1 0 354.498 2.691 20 70 FFIDRO CC(C)(C)CNC(=O)c1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000159371458 508832703 /nfs/dbraw/zinc/83/27/03/508832703.db2.gz BGRQUTOJIFZKMU-UHFFFAOYSA-N 1 0 357.498 2.819 20 70 FFIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000159433861 508841719 /nfs/dbraw/zinc/84/17/19/508841719.db2.gz AESQOBZSSLXAAA-UFYCRDLUSA-N 1 0 360.498 2.816 20 70 FFIDRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC1=O ZINC000159466589 508845901 /nfs/dbraw/zinc/84/59/01/508845901.db2.gz GPEGUEUYSQTLQA-HNNXBMFYSA-N 1 0 365.905 2.679 20 70 FFIDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC1=O ZINC000159466705 508845948 /nfs/dbraw/zinc/84/59/48/508845948.db2.gz GPEGUEUYSQTLQA-OAHLLOKOSA-N 1 0 365.905 2.679 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000159479152 508847757 /nfs/dbraw/zinc/84/77/57/508847757.db2.gz ASAQMBVYJNJSEZ-MRXNPFEDSA-N 1 0 365.474 2.838 20 70 FFIDRO O=C(Nc1cccc(-n2ccnn2)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000159496022 508850169 /nfs/dbraw/zinc/85/01/69/508850169.db2.gz GUBWOQKCMMYNET-KXBFYZLASA-N 1 0 366.469 2.748 20 70 FFIDRO C[C@@H](N[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21)c1cccc(F)c1F ZINC000159497417 508850195 /nfs/dbraw/zinc/85/01/95/508850195.db2.gz GVMRSHMMHSGNIR-NEPJUHHUSA-N 1 0 359.376 2.989 20 70 FFIDRO CC[C@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[NH+](C)C ZINC000159543963 508856295 /nfs/dbraw/zinc/85/62/95/508856295.db2.gz WGJDJRZELMPAOH-CQSZACIVSA-N 1 0 372.296 2.618 20 70 FFIDRO Cc1c(I)cccc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000159582568 508861319 /nfs/dbraw/zinc/86/13/19/508861319.db2.gz WCPHERNJJDNJFP-UHFFFAOYSA-N 1 0 374.266 2.917 20 70 FFIDRO CN1CCC(=O)Nc2cc(C(=O)NCC[NH2+]C3CCCCCC3)ccc21 ZINC000159695184 508876499 /nfs/dbraw/zinc/87/64/99/508876499.db2.gz HUSQOJAEBHHGRX-UHFFFAOYSA-N 1 0 358.486 2.507 20 70 FFIDRO CCOc1c(Cl)cc(CNC(=O)N2CCC[N@H+](CC)CC2)cc1OC ZINC000159708856 508878842 /nfs/dbraw/zinc/87/88/42/508878842.db2.gz VBFDGOQACYMQLJ-UHFFFAOYSA-N 1 0 369.893 2.985 20 70 FFIDRO CN(C(=O)c1ccco1)c1ccccc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159720654 508880805 /nfs/dbraw/zinc/88/08/05/508880805.db2.gz YRYVZEMYMZXRSI-UHFFFAOYSA-N 1 0 355.438 2.948 20 70 FFIDRO CCCC[C@H](CC)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159759472 508886468 /nfs/dbraw/zinc/88/64/68/508886468.db2.gz QNCOQAFUGBTTSJ-KRWDZBQOSA-N 1 0 354.516 2.766 20 70 FFIDRO CCOC(=O)Nc1ccc2c(C[N@H+](C)C[C@H]3CCC[C@@H]3O)cc(=O)oc2c1 ZINC000159764163 508887313 /nfs/dbraw/zinc/88/73/13/508887313.db2.gz OJOIAFAVJSGARW-DYVFJYSZSA-N 1 0 374.437 2.954 20 70 FFIDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)CC2 ZINC000159794087 508891700 /nfs/dbraw/zinc/89/17/00/508891700.db2.gz QWOJSRVAUNJCMK-SMDDNHRTSA-N 1 0 365.275 2.853 20 70 FFIDRO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1OCC ZINC000159822341 508895936 /nfs/dbraw/zinc/89/59/36/508895936.db2.gz KHSXCIVVMIIXPO-ZBFHGGJFSA-N 1 0 350.459 2.515 20 70 FFIDRO CC[NH+](CC)C[C@H]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000159832766 508897571 /nfs/dbraw/zinc/89/75/71/508897571.db2.gz WXRVSRXHUHURBN-CJNGLKHVSA-N 1 0 368.319 2.639 20 70 FFIDRO COc1cccc(CNC(=O)[C@@H]([NH3+])CCSC)c1OC1CCCC1 ZINC000159856496 508901535 /nfs/dbraw/zinc/90/15/35/508901535.db2.gz YGFVUXKRFBMFDN-HNNXBMFYSA-N 1 0 352.500 2.713 20 70 FFIDRO Cc1ccc([C@H](CNC(=O)Nc2ccnn2C[C@H]2CCOC2)[NH+](C)C)cc1 ZINC000159856783 508901540 /nfs/dbraw/zinc/90/15/40/508901540.db2.gz ODDYCBGYGKRLPL-AEFFLSMTSA-N 1 0 371.485 2.652 20 70 FFIDRO CC[C@H](COC)NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000159919534 508911741 /nfs/dbraw/zinc/91/17/41/508911741.db2.gz VHIQTINLAZUFRX-FUHWJXTLSA-N 1 0 363.502 2.611 20 70 FFIDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000159930458 508913563 /nfs/dbraw/zinc/91/35/63/508913563.db2.gz PWQDMWAXLLXMQC-LSDHHAIUSA-N 1 0 365.437 2.954 20 70 FFIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000159948916 508916157 /nfs/dbraw/zinc/91/61/57/508916157.db2.gz HHZYRCQQXXVJFZ-IAGOWNOFSA-N 1 0 363.465 2.965 20 70 FFIDRO CC[C@H](Oc1ccccc1C(C)C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159993209 508921483 /nfs/dbraw/zinc/92/14/83/508921483.db2.gz CLDAOHRDXDGNLY-HKUYNNGSSA-N 1 0 362.514 2.930 20 70 FFIDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159999536 508923857 /nfs/dbraw/zinc/92/38/57/508923857.db2.gz VRDVQQCAYVAGSG-BZNIZROVSA-N 1 0 357.472 2.849 20 70 FFIDRO COc1ccc(Br)c(CC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000160051034 508930737 /nfs/dbraw/zinc/93/07/37/508930737.db2.gz MXDBWKWGPGPRSE-UHFFFAOYSA-N 1 0 369.303 2.991 20 70 FFIDRO O=C(Cc1ccc(Br)c(F)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160134401 508943826 /nfs/dbraw/zinc/94/38/26/508943826.db2.gz SPKLYSOTWLQBQO-LBPRGKRZSA-N 1 0 355.251 2.731 20 70 FFIDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000160145360 508945050 /nfs/dbraw/zinc/94/50/50/508945050.db2.gz CFDZSMUWWSKXMG-MRXNPFEDSA-N 1 0 352.500 2.643 20 70 FFIDRO Cc1c(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cnn1C ZINC000160146348 508945411 /nfs/dbraw/zinc/94/54/11/508945411.db2.gz UVXCMXMLKSUPDO-INIZCTEOSA-N 1 0 369.513 2.960 20 70 FFIDRO CC(C)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000160165083 508948292 /nfs/dbraw/zinc/94/82/92/508948292.db2.gz VWVMEYNUWDUHER-INIZCTEOSA-N 1 0 372.431 2.946 20 70 FFIDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160205159 508954512 /nfs/dbraw/zinc/95/45/12/508954512.db2.gz AUYBTJVBSURQFZ-LAUBAEHRSA-N 1 0 359.514 2.975 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000160228510 508957793 /nfs/dbraw/zinc/95/77/93/508957793.db2.gz XODUPMOCXFRCBY-IAGOWNOFSA-N 1 0 368.424 2.786 20 70 FFIDRO COc1ccc2sc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)c(C)c2c1 ZINC000160263912 508962306 /nfs/dbraw/zinc/96/23/06/508962306.db2.gz BHQZUXFIOWXTIV-CQSZACIVSA-N 1 0 362.495 2.795 20 70 FFIDRO Cn1c(=O)cccc1C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000160270823 508963342 /nfs/dbraw/zinc/96/33/42/508963342.db2.gz DDBIKYIIXJUACK-IBGZPJMESA-N 1 0 367.493 2.588 20 70 FFIDRO CC(C)[C@@H](CNC(=O)N1CCCN(CC(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000160284513 508964679 /nfs/dbraw/zinc/96/46/79/508964679.db2.gz PNZWYOBNCQUSPC-QGZVFWFLSA-N 1 0 374.520 2.725 20 70 FFIDRO CC[C@H]([NH2+]Cc1cn(C)nc1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000160329773 508971647 /nfs/dbraw/zinc/97/16/47/508971647.db2.gz XCPGJJCZGBIEQP-IBGZPJMESA-N 1 0 370.497 2.971 20 70 FFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(NC(=O)NC3CC3)cc1)CC2 ZINC000160341608 508973356 /nfs/dbraw/zinc/97/33/56/508973356.db2.gz ACLGOKLRQRKBTE-SJKOYZFVSA-N 1 0 354.458 2.536 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000160370084 508977644 /nfs/dbraw/zinc/97/76/44/508977644.db2.gz OGIKMJYUKADPEV-QGZVFWFLSA-N 1 0 359.514 2.905 20 70 FFIDRO COCC[NH+]1CCC(NC(=O)[C@H](C)CSCc2ccccc2)CC1 ZINC000160379174 508978883 /nfs/dbraw/zinc/97/88/83/508978883.db2.gz MEFWTOQQSLTZKL-MRXNPFEDSA-N 1 0 350.528 2.783 20 70 FFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(OCc3nccn3C)cc1)CC2 ZINC000160394565 508981175 /nfs/dbraw/zinc/98/11/75/508981175.db2.gz AERCJJJYVRHJDT-RHSMWYFYSA-N 1 0 366.469 2.565 20 70 FFIDRO O=C(CSc1ccc(F)cc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160399762 508981987 /nfs/dbraw/zinc/98/19/87/508981987.db2.gz JNKRGGLYSFGDII-ROUUACIJSA-N 1 0 366.502 2.802 20 70 FFIDRO Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160414746 508983996 /nfs/dbraw/zinc/98/39/96/508983996.db2.gz MGYZECWJWLARQB-MRXNPFEDSA-N 1 0 361.534 2.606 20 70 FFIDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160430075 508985954 /nfs/dbraw/zinc/98/59/54/508985954.db2.gz VHQGFFHZCWTNBD-CYBMUJFWSA-N 1 0 353.894 2.552 20 70 FFIDRO C[C@@H](CNC(=O)CCc1cc2ccccc2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000160461002 508989894 /nfs/dbraw/zinc/98/98/94/508989894.db2.gz SPNPDWZYWBIIBU-HOTGVXAUSA-N 1 0 355.482 2.697 20 70 FFIDRO CC(C)C[C@H](C)OCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160465899 508990586 /nfs/dbraw/zinc/99/05/86/508990586.db2.gz NAVYDWJLKYAROA-UHOSZYNNSA-N 1 0 354.535 2.712 20 70 FFIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160541958 509000519 /nfs/dbraw/zinc/00/05/19/509000519.db2.gz RQISZVZHBKKOIF-QZTJIDSGSA-N 1 0 352.519 2.778 20 70 FFIDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCOCc2ccc(Cl)cc2)C1 ZINC000160542370 509000764 /nfs/dbraw/zinc/00/07/64/509000764.db2.gz YLKUYQQMWMEKQL-INIZCTEOSA-N 1 0 353.894 2.840 20 70 FFIDRO CCNC(=O)c1cccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000160569432 509004385 /nfs/dbraw/zinc/00/43/85/509004385.db2.gz GCKWLBYBODGFKR-UHFFFAOYSA-N 1 0 374.529 2.700 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000160579045 509005145 /nfs/dbraw/zinc/00/51/45/509005145.db2.gz HRRDSEGMTPETBX-DOMZBBRYSA-N 1 0 364.371 2.746 20 70 FFIDRO Cc1ccccc1SCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160593621 509007909 /nfs/dbraw/zinc/00/79/09/509007909.db2.gz RCIUZZRPLRTMMJ-ZWKOTPCHSA-N 1 0 362.539 2.971 20 70 FFIDRO O=C(Cc1ccc2c(c1)CCCC2)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160650644 509014674 /nfs/dbraw/zinc/01/46/74/509014674.db2.gz UQPCRXWKLHIXNA-YADHBBJMSA-N 1 0 370.537 2.992 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000160655085 509015349 /nfs/dbraw/zinc/01/53/49/509015349.db2.gz NWFDPHJPJWHNSN-WBMJQRKESA-N 1 0 369.303 2.799 20 70 FFIDRO O=C(Cc1c(F)cccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160692585 509021210 /nfs/dbraw/zinc/02/12/10/509021210.db2.gz YTTVTXPDZJVYGA-QZTJIDSGSA-N 1 0 368.880 2.906 20 70 FFIDRO O=C(COc1ccccc1-c1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160699584 509021813 /nfs/dbraw/zinc/02/18/13/509021813.db2.gz RIJYFDGTXFTELF-LJQANCHMSA-N 1 0 368.477 2.695 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)C1 ZINC000160733663 509025777 /nfs/dbraw/zinc/02/57/77/509025777.db2.gz KAGZMMYGQPFFJO-OAHLLOKOSA-N 1 0 354.479 2.888 20 70 FFIDRO CCOCCC1(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CCC1 ZINC000160730452 509025995 /nfs/dbraw/zinc/02/59/95/509025995.db2.gz TVFXZUQYFAIJKM-LJQANCHMSA-N 1 0 360.498 2.601 20 70 FFIDRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)([NH+](C)C)C1 ZINC000160779310 509031752 /nfs/dbraw/zinc/03/17/52/509031752.db2.gz AQAUADGKHBDJGY-YCRPNKLZSA-N 1 0 357.498 2.819 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000160792139 509033287 /nfs/dbraw/zinc/03/32/87/509033287.db2.gz RFOAMLFJEJAHJO-MRXNPFEDSA-N 1 0 370.501 2.972 20 70 FFIDRO CCC(CC)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000160906453 509046801 /nfs/dbraw/zinc/04/68/01/509046801.db2.gz MOGWYIHWRSZWIT-ZDUSSCGKSA-N 1 0 363.239 2.809 20 70 FFIDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000160937556 509050583 /nfs/dbraw/zinc/05/05/83/509050583.db2.gz MQVWWHZUESDWAM-QRVBRYPASA-N 1 0 373.497 2.843 20 70 FFIDRO C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(NC(N)=O)cc1 ZINC000161011345 509059578 /nfs/dbraw/zinc/05/95/78/509059578.db2.gz FDMRTGIJACCLBQ-AWEZNQCLSA-N 1 0 369.469 2.799 20 70 FFIDRO CC(C)[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000161016795 509059918 /nfs/dbraw/zinc/05/99/18/509059918.db2.gz UYFPKULAEDPPHS-HXUWFJFHSA-N 1 0 367.493 2.649 20 70 FFIDRO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000161041576 509063833 /nfs/dbraw/zinc/06/38/33/509063833.db2.gz GPSLSWQEHNBJFF-RBUKOAKNSA-N 1 0 374.529 2.939 20 70 FFIDRO CCC1(CC)[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1OC ZINC000161041324 509064041 /nfs/dbraw/zinc/06/40/41/509064041.db2.gz GPSLSWQEHNBJFF-OALUTQOASA-N 1 0 374.529 2.939 20 70 FFIDRO COc1cc(OC)c(NC(=O)NC2CC[NH+](C)CC2)cc1Br ZINC000161084701 509069755 /nfs/dbraw/zinc/06/97/55/509069755.db2.gz JKOQAIOZPBRMNH-UHFFFAOYSA-N 1 0 372.263 2.682 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC000161105680 509072161 /nfs/dbraw/zinc/07/21/61/509072161.db2.gz BIRITOFDGLAPPR-UHFFFAOYSA-N 1 0 363.546 2.700 20 70 FFIDRO CCC(=O)N1CC[C@@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000161104728 509072233 /nfs/dbraw/zinc/07/22/33/509072233.db2.gz JEHUFFGGIQBVDL-HXUWFJFHSA-N 1 0 371.525 2.937 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN2c2ncnc3sccc32)CC1 ZINC000161125449 509075086 /nfs/dbraw/zinc/07/50/86/509075086.db2.gz LCCAFBUFGPWPDZ-MRXNPFEDSA-N 1 0 373.526 2.508 20 70 FFIDRO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000161140683 509077035 /nfs/dbraw/zinc/07/70/35/509077035.db2.gz QPPPBVZTWSMYSZ-HNNXBMFYSA-N 1 0 367.534 2.728 20 70 FFIDRO CC1(C)CCCN(C(=O)C[C@@]2(C(=O)N3CCCC(C)(C)C3)CC[NH2+]C2)C1 ZINC000161185375 509082551 /nfs/dbraw/zinc/08/25/51/509082551.db2.gz JNMZEFZBWNKPJJ-NRFANRHFSA-N 1 0 363.546 2.653 20 70 FFIDRO CN1C[C@@H]([NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CCC1=O ZINC000161202085 509084799 /nfs/dbraw/zinc/08/47/99/509084799.db2.gz ZEOQKWOAIOREBC-PKOBYXMFSA-N 1 0 355.413 2.716 20 70 FFIDRO CN(Cc1ccccc1NC(=O)[C@H]1CCC[NH2+]C1)C(=O)c1cccs1 ZINC000161211842 509086168 /nfs/dbraw/zinc/08/61/68/509086168.db2.gz RFNIHSXETQGDTA-AWEZNQCLSA-N 1 0 357.479 2.958 20 70 FFIDRO COc1ccc([C@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c(F)c1 ZINC000161209530 509086451 /nfs/dbraw/zinc/08/64/51/509086451.db2.gz TUCLOLRHUKXGIH-HNNXBMFYSA-N 1 0 373.472 2.977 20 70 FFIDRO CN(Cc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1)C(=O)c1cccs1 ZINC000161211742 509086653 /nfs/dbraw/zinc/08/66/53/509086653.db2.gz RFNIHSXETQGDTA-CQSZACIVSA-N 1 0 357.479 2.958 20 70 FFIDRO Cc1nc(CC(C)C)c(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)s1 ZINC000161233897 509089564 /nfs/dbraw/zinc/08/95/64/509089564.db2.gz KAIMEVZGLWNPBL-AWEZNQCLSA-N 1 0 368.547 2.681 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000161253967 509092621 /nfs/dbraw/zinc/09/26/21/509092621.db2.gz KBLOVYLTOQCONZ-UHFFFAOYSA-N 1 0 369.893 2.867 20 70 FFIDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1I ZINC000161338988 509103557 /nfs/dbraw/zinc/10/35/57/509103557.db2.gz HBDHFKQMBLCNRX-NWDGAFQWSA-N 1 0 358.223 2.599 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(=O)NC2CC2)cc1)c1ccco1 ZINC000161388788 509109939 /nfs/dbraw/zinc/10/99/39/509109939.db2.gz GWOBBLAQQMFOJE-GOSISDBHSA-N 1 0 369.465 2.985 20 70 FFIDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CCN(C)CC1 ZINC000161419771 509114308 /nfs/dbraw/zinc/11/43/08/509114308.db2.gz SIJYIBFDUWQOTH-LBPRGKRZSA-N 1 0 354.292 2.850 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(-c3ncn(C)n3)c2)C1 ZINC000161453535 509117197 /nfs/dbraw/zinc/11/71/97/509117197.db2.gz UWWKZGFJBNAZFE-OAHLLOKOSA-N 1 0 356.474 2.582 20 70 FFIDRO CN(C)c1ccccc1N(C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000159404952 508837441 /nfs/dbraw/zinc/83/74/41/508837441.db2.gz ZURBXSHJWSZFJG-HXUWFJFHSA-N 1 0 354.498 2.608 20 70 FFIDRO Cc1ccc(F)cc1NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000159404346 508837841 /nfs/dbraw/zinc/83/78/41/508837841.db2.gz LQBRGQIGTZMVBG-JWTNVVGKSA-N 1 0 360.477 2.909 20 70 FFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000159414523 508839380 /nfs/dbraw/zinc/83/93/80/508839380.db2.gz YNWKRKXXTZUKLT-UHFFFAOYSA-N 1 0 360.502 2.765 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000159465174 508845884 /nfs/dbraw/zinc/84/58/84/508845884.db2.gz NQTJQDALWXRZSH-SFHVURJKSA-N 1 0 363.465 2.811 20 70 FFIDRO O=C(Nc1cccc(-n2ccnn2)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000159495910 508850205 /nfs/dbraw/zinc/85/02/05/508850205.db2.gz GUBWOQKCMMYNET-HNAYVOBHSA-N 1 0 366.469 2.748 20 70 FFIDRO [NH3+]C1(CNC(=O)CCOc2cccc(Br)c2)CCCCC1 ZINC000159524739 508853225 /nfs/dbraw/zinc/85/32/25/508853225.db2.gz NCMMTOCMJXAROA-UHFFFAOYSA-N 1 0 355.276 2.996 20 70 FFIDRO CCC(CC)c1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)on1 ZINC000159535698 508854353 /nfs/dbraw/zinc/85/43/53/508854353.db2.gz HJVHUYRPTBVOCX-UHFFFAOYSA-N 1 0 357.458 2.977 20 70 FFIDRO C[C@H](CC(=O)N(C)C)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159575559 508860518 /nfs/dbraw/zinc/86/05/18/508860518.db2.gz SUDYVEPKDUUMOQ-VQIMIIECSA-N 1 0 353.466 2.693 20 70 FFIDRO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000159584530 508862191 /nfs/dbraw/zinc/86/21/91/508862191.db2.gz YOXRKLMXVQYMAM-HNNXBMFYSA-N 1 0 352.866 2.504 20 70 FFIDRO Cc1nc2ccccn2c1C[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000159642281 508870644 /nfs/dbraw/zinc/87/06/44/508870644.db2.gz PAUCZJOLIABHDH-UHFFFAOYSA-N 1 0 352.438 2.939 20 70 FFIDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C[C@@H](C)SC)c1 ZINC000159656085 508872220 /nfs/dbraw/zinc/87/22/20/508872220.db2.gz CLUHFSVQFBVRIN-CQSZACIVSA-N 1 0 351.516 2.838 20 70 FFIDRO CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000159732084 508881483 /nfs/dbraw/zinc/88/14/83/508881483.db2.gz VSEBIJLGQWOUOI-MRXNPFEDSA-N 1 0 351.535 2.700 20 70 FFIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CSc1nc[nH]n1 ZINC000159766139 508887712 /nfs/dbraw/zinc/88/77/12/508887712.db2.gz TUPXZNQNLPUXMX-HNNXBMFYSA-N 1 0 359.499 2.701 20 70 FFIDRO O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159773041 508888424 /nfs/dbraw/zinc/88/84/24/508888424.db2.gz VWVDMUXCSNYCGE-UHFFFAOYSA-N 1 0 364.493 2.965 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000159770620 508888825 /nfs/dbraw/zinc/88/88/25/508888825.db2.gz CFZFJKRAMQFCNO-INIZCTEOSA-N 1 0 358.486 2.612 20 70 FFIDRO O=C(c1ccc(OC2CCOCC2)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159782989 508890414 /nfs/dbraw/zinc/89/04/14/508890414.db2.gz KLGQKBPLRGDJIF-UHFFFAOYSA-N 1 0 358.482 2.849 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCCc3c2cnn3C)C1 ZINC000159805938 508893647 /nfs/dbraw/zinc/89/36/47/508893647.db2.gz UYMNZDWUPNWTQT-FUHWJXTLSA-N 1 0 361.534 2.807 20 70 FFIDRO COc1cc(/C=C/C(=O)N2CCC([NH2+]CC3CC3)CC2)cc(OC)c1OC ZINC000159813344 508894636 /nfs/dbraw/zinc/89/46/36/508894636.db2.gz HGSNUYJKOXGQNB-VOTSOKGWSA-N 1 0 374.481 2.716 20 70 FFIDRO C[C@@H]([NH2+]C1(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)CCCC1)c1ccccc1 ZINC000159874652 508904380 /nfs/dbraw/zinc/90/43/80/508904380.db2.gz JAYAYZINSNNVHA-SJLPKXTDSA-N 1 0 372.513 2.570 20 70 FFIDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC(=O)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000159913326 508909764 /nfs/dbraw/zinc/90/97/64/508909764.db2.gz SBRATCOWGMSLSW-VWXURSGXSA-N 1 0 372.509 2.917 20 70 FFIDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(-c2nc[nH]n2)c1 ZINC000159916514 508911021 /nfs/dbraw/zinc/91/10/21/508911021.db2.gz BAOQPQOHGSJBQA-UHFFFAOYSA-N 1 0 361.449 2.650 20 70 FFIDRO CC(C)(C(N)=O)c1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000159939277 508914896 /nfs/dbraw/zinc/91/48/96/508914896.db2.gz RYXLDPWCSNHTEU-UHFFFAOYSA-N 1 0 360.502 2.880 20 70 FFIDRO C[C@H]1C[NH+](C[C@@H]2CCCN2C(=O)/C=C/c2ccc(Cl)nc2)C[C@H](C)O1 ZINC000160005717 508924492 /nfs/dbraw/zinc/92/44/92/508924492.db2.gz SWQVMXYFQFXPHS-OYWIFMKISA-N 1 0 363.889 2.848 20 70 FFIDRO CC(C)[C@H](CNC(=O)[C@@H](C)Oc1cccc(CO)c1)[NH+]1CCC(C)CC1 ZINC000160007634 508924498 /nfs/dbraw/zinc/92/44/98/508924498.db2.gz BULIPTNHGJNSMI-XLIONFOSSA-N 1 0 362.514 2.819 20 70 FFIDRO CCN(CC)S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160017465 508925616 /nfs/dbraw/zinc/92/56/16/508925616.db2.gz KZTCFXFGMLISNL-SJLPKXTDSA-N 1 0 353.532 2.558 20 70 FFIDRO Cc1cccc(-c2cncc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)c2)c1 ZINC000160028717 508927442 /nfs/dbraw/zinc/92/74/42/508927442.db2.gz OOVTUYZLGSIQKB-HXUWFJFHSA-N 1 0 353.466 2.634 20 70 FFIDRO C[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Br)cc1 ZINC000160106837 508939603 /nfs/dbraw/zinc/93/96/03/508939603.db2.gz OUOAADBBUCUOOB-GFCCVEGCSA-N 1 0 365.275 2.949 20 70 FFIDRO C[NH+]1CCC(Oc2ccc(NCc3nccn3CC(F)(F)F)cn2)CC1 ZINC000160159293 508947456 /nfs/dbraw/zinc/94/74/56/508947456.db2.gz XYDFGGHMXQZXRR-UHFFFAOYSA-N 1 0 369.391 2.926 20 70 FFIDRO COc1c(C)cc(C[N@H+](C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1C ZINC000160195591 508952953 /nfs/dbraw/zinc/95/29/53/508952953.db2.gz ZQKKBPOXHNRFGM-GOSISDBHSA-N 1 0 356.470 2.673 20 70 FFIDRO CNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000160211604 508955107 /nfs/dbraw/zinc/95/51/07/508955107.db2.gz TYNBQARAFZJEPE-HNAYVOBHSA-N 1 0 366.465 2.831 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(N(C)C)n1)c1ccco1 ZINC000160215016 508955160 /nfs/dbraw/zinc/95/51/60/508955160.db2.gz RDHKFIOSKMNYHP-INIZCTEOSA-N 1 0 359.474 2.623 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000160228266 508957718 /nfs/dbraw/zinc/95/77/18/508957718.db2.gz XODUPMOCXFRCBY-SJORKVTESA-N 1 0 368.424 2.786 20 70 FFIDRO O=C(Cc1cccc(Cl)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160250103 508960221 /nfs/dbraw/zinc/96/02/21/508960221.db2.gz BASIFBUDQDXJFV-QZTJIDSGSA-N 1 0 350.890 2.767 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000160271367 508963263 /nfs/dbraw/zinc/96/32/63/508963263.db2.gz ABPKQBOIGJZYDG-HBMCJLEFSA-N 1 0 352.478 2.906 20 70 FFIDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160269861 508963534 /nfs/dbraw/zinc/96/35/34/508963534.db2.gz MQPLROYVTADDQA-MRXNPFEDSA-N 1 0 366.465 2.535 20 70 FFIDRO Cc1ccnc(N2CC[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)c1 ZINC000160296316 508966402 /nfs/dbraw/zinc/96/64/02/508966402.db2.gz HCBYZSRJSLSVIC-UHFFFAOYSA-N 1 0 358.530 2.797 20 70 FFIDRO CSc1cc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)ccc1F ZINC000160304016 508967389 /nfs/dbraw/zinc/96/73/89/508967389.db2.gz IZBPVIMQKDDSGG-UHFFFAOYSA-N 1 0 370.490 2.893 20 70 FFIDRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160329155 508971688 /nfs/dbraw/zinc/97/16/88/508971688.db2.gz JXJBNYJLLVMMTN-GDBMZVCRSA-N 1 0 369.303 2.594 20 70 FFIDRO C[C@@H](CCOc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160336060 508972580 /nfs/dbraw/zinc/97/25/80/508972580.db2.gz NQLWSDFKQBPJNO-YYWHXJBOSA-N 1 0 374.525 2.976 20 70 FFIDRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160386036 508979646 /nfs/dbraw/zinc/97/96/46/508979646.db2.gz OWRJGTDXQLOADT-AWEZNQCLSA-N 1 0 367.921 2.942 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000160406965 508982751 /nfs/dbraw/zinc/98/27/51/508982751.db2.gz HUSYINOFUFRFET-HNAYVOBHSA-N 1 0 367.559 2.756 20 70 FFIDRO COc1ccc([C@@H](NC(=O)[C@H]2C[NH2+]CCO2)c2ccccc2Cl)cc1 ZINC000160420389 508984214 /nfs/dbraw/zinc/98/42/14/508984214.db2.gz WUMABOHMSNNZNI-QZTJIDSGSA-N 1 0 360.841 2.543 20 70 FFIDRO CCc1c(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)[nH]c(C)c1C(N)=O ZINC000160420641 508984362 /nfs/dbraw/zinc/98/43/62/508984362.db2.gz GXDCDVDZKKFVDR-KRWDZBQOSA-N 1 0 370.497 2.797 20 70 FFIDRO CC(=O)Nc1ccccc1C[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000160443078 508987520 /nfs/dbraw/zinc/98/75/20/508987520.db2.gz XAZCIAFKWFREOD-UHFFFAOYSA-N 1 0 365.433 2.811 20 70 FFIDRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000160494441 508994997 /nfs/dbraw/zinc/99/49/97/508994997.db2.gz ADUOMMIAMVOUFF-BBRMVZONSA-N 1 0 368.319 2.639 20 70 FFIDRO O=C(N[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1)c1ccccc1 ZINC000160535662 508999505 /nfs/dbraw/zinc/99/95/05/508999505.db2.gz KCQGZXWVXIQCFO-ZCNNSNEGSA-N 1 0 363.461 2.511 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(OCc2cscn2)c(OC)c1 ZINC000160551749 509002147 /nfs/dbraw/zinc/00/21/47/509002147.db2.gz IHBFVLUGFJMXCP-UHFFFAOYSA-N 1 0 363.483 2.978 20 70 FFIDRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000160599987 509008326 /nfs/dbraw/zinc/00/83/26/509008326.db2.gz SLZHIPUWSBITHW-PMACEKPBSA-N 1 0 354.450 2.509 20 70 FFIDRO O=C(CCc1cccc(OC2CCCC2)c1)NCC1CC[NH+](CCO)CC1 ZINC000160617221 509010550 /nfs/dbraw/zinc/01/05/50/509010550.db2.gz IRSYCUZIHYBBTF-UHFFFAOYSA-N 1 0 374.525 2.761 20 70 FFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160669146 509017568 /nfs/dbraw/zinc/01/75/68/509017568.db2.gz UDBNWRNCGUAMTH-OAHLLOKOSA-N 1 0 354.454 2.534 20 70 FFIDRO Cn1cc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000160713384 509023505 /nfs/dbraw/zinc/02/35/05/509023505.db2.gz BFUWVWZLQRRMAP-ROUUACIJSA-N 1 0 363.461 2.544 20 70 FFIDRO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160734361 509026166 /nfs/dbraw/zinc/02/61/66/509026166.db2.gz FEUNYJCLWBNHKF-IAGOWNOFSA-N 1 0 364.436 2.639 20 70 FFIDRO C[NH+](C)CCNC(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC000160752894 509029049 /nfs/dbraw/zinc/02/90/49/509029049.db2.gz KMMMOAZZPGQRFU-UHFFFAOYSA-N 1 0 371.363 2.513 20 70 FFIDRO CCCCN(Cc1cnc(C)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000160773747 509031006 /nfs/dbraw/zinc/03/10/06/509031006.db2.gz FNHBQMMHZDLLAQ-SFHVURJKSA-N 1 0 361.511 2.970 20 70 FFIDRO CC(C)c1noc(CCC[NH2+][C@H](C)Cn2cc(Br)cn2)n1 ZINC000160795872 509034314 /nfs/dbraw/zinc/03/43/14/509034314.db2.gz VJXSXSVITSVNHQ-LLVKDONJSA-N 1 0 356.268 2.763 20 70 FFIDRO Cc1c(C(=O)Nc2cccc(CC(F)(F)F)c2)nnn1C1CC[NH2+]CC1 ZINC000160800432 509034757 /nfs/dbraw/zinc/03/47/57/509034757.db2.gz QONQLODUMMKUOK-UHFFFAOYSA-N 1 0 367.375 2.868 20 70 FFIDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2cc(OC)ccc2Br)C1 ZINC000160829811 509037668 /nfs/dbraw/zinc/03/76/68/509037668.db2.gz NKXVVXHQOIRJGU-CYBMUJFWSA-N 1 0 369.303 2.800 20 70 FFIDRO C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1cn(-c2ccccc2)nn1 ZINC000160901289 509046058 /nfs/dbraw/zinc/04/60/58/509046058.db2.gz FCMPUOYFHXDEJC-CRAIPNDOSA-N 1 0 372.517 2.994 20 70 FFIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)cc1 ZINC000160990358 509057375 /nfs/dbraw/zinc/05/73/75/509057375.db2.gz XKJCXJWXSQPEOL-CQSZACIVSA-N 1 0 358.486 2.922 20 70 FFIDRO C[N@@H+]1CCCN(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000161017492 509060019 /nfs/dbraw/zinc/06/00/19/509060019.db2.gz KNPCJQYSMDAAPO-UHFFFAOYSA-N 1 0 362.474 2.881 20 70 FFIDRO C[C@@H](CNC(=O)NCCCc1nc2ccccc2[nH]1)C[NH+]1CCCCC1 ZINC000161091415 509070584 /nfs/dbraw/zinc/07/05/84/509070584.db2.gz JBJLTJWAPIHBNV-INIZCTEOSA-N 1 0 357.502 2.917 20 70 FFIDRO CC[C@H](C)CS(=O)(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000161121157 509074062 /nfs/dbraw/zinc/07/40/62/509074062.db2.gz UELHRNIVZPMTDP-INIZCTEOSA-N 1 0 354.516 2.973 20 70 FFIDRO CC[C@@H](C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)[NH+](C)C ZINC000161180702 509082225 /nfs/dbraw/zinc/08/22/25/509082225.db2.gz WGKSECJGXPCMQS-IBGZPJMESA-N 1 0 353.466 2.938 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000161192980 509083236 /nfs/dbraw/zinc/08/32/36/509083236.db2.gz SAKNPFSMYBIWDC-STQMWFEESA-N 1 0 355.276 2.735 20 70 FFIDRO CSCC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)c1nnc2ccccn21 ZINC000161239709 509090508 /nfs/dbraw/zinc/09/05/08/509090508.db2.gz YOAPAGLEKNSSDV-UYSNPLJNSA-N 1 0 361.515 2.560 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000161245357 509091720 /nfs/dbraw/zinc/09/17/20/509091720.db2.gz ANCJXNPFVGIOTH-WOJBJXKFSA-N 1 0 365.477 2.758 20 70 FFIDRO C[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1cccc(C(F)(F)F)c1 ZINC000161261757 509093857 /nfs/dbraw/zinc/09/38/57/509093857.db2.gz RFJNQPXRIHQHNR-ZDUSSCGKSA-N 1 0 373.419 2.865 20 70 FFIDRO CN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000161263495 509094206 /nfs/dbraw/zinc/09/42/06/509094206.db2.gz LCFKZJDAOJAODE-ICSRJNTNSA-N 1 0 365.477 2.519 20 70 FFIDRO CCc1ccc([C@H](NC(=O)[C@@H]([NH3+])CC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000161273638 509095322 /nfs/dbraw/zinc/09/53/22/509095322.db2.gz RVUNAMOOMXXDOG-OALUTQOASA-N 1 0 374.506 2.595 20 70 FFIDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)C1 ZINC000161313671 509100734 /nfs/dbraw/zinc/10/07/34/509100734.db2.gz FLTOWSFDDKQPIK-OAHLLOKOSA-N 1 0 371.481 2.801 20 70 FFIDRO COc1ccc(CNC(=O)C2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000161362478 509106690 /nfs/dbraw/zinc/10/66/90/509106690.db2.gz RHSHWUNAIBHIHX-UHFFFAOYSA-N 1 0 373.541 2.899 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)CCNC(=O)C1CCCCC1)c1ccco1 ZINC000161410057 509113140 /nfs/dbraw/zinc/11/31/40/509113140.db2.gz FHQSTNHTZIWJEZ-QGZVFWFLSA-N 1 0 363.502 2.865 20 70 FFIDRO Cc1c(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)nnn1C1CC[NH2+]CC1 ZINC000161484742 509120684 /nfs/dbraw/zinc/12/06/84/509120684.db2.gz NOKDUPWIJSOVHI-BFUOFWGJSA-N 1 0 371.460 2.873 20 70 FFIDRO COc1cc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)ccc1S(C)(=O)=O ZINC000161488614 509120948 /nfs/dbraw/zinc/12/09/48/509120948.db2.gz WKWXZEYPPLOKSQ-WMLDXEAASA-N 1 0 363.479 2.525 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000159369669 508832624 /nfs/dbraw/zinc/83/26/24/508832624.db2.gz QFNPZIZLXYTQGD-RYRKJORJSA-N 1 0 367.559 2.850 20 70 FFIDRO C[C@@H](Cc1ccccc1Cl)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000159377790 508833576 /nfs/dbraw/zinc/83/35/76/508833576.db2.gz ONCYNIAYEVEXEX-RDJZCZTQSA-N 1 0 352.906 2.728 20 70 FFIDRO O=C(c1ccccc1CSc1nc[nH]n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159395132 508835962 /nfs/dbraw/zinc/83/59/62/508835962.db2.gz MLOKGYKCETVBTR-INIZCTEOSA-N 1 0 371.510 2.797 20 70 FFIDRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1Cl ZINC000159400971 508836571 /nfs/dbraw/zinc/83/65/71/508836571.db2.gz JZKQCFXRLHVKLK-CQSZACIVSA-N 1 0 351.878 2.681 20 70 FFIDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccc(Br)c(F)c1)C2 ZINC000159445641 508842915 /nfs/dbraw/zinc/84/29/15/508842915.db2.gz MCRHDTDHJOKEPF-QWHCGFSZSA-N 1 0 355.251 2.826 20 70 FFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159446483 508843247 /nfs/dbraw/zinc/84/32/47/508843247.db2.gz AMBLULKLODAZSO-QUCCMNQESA-N 1 0 360.546 2.879 20 70 FFIDRO CC[C@@H](C)NC(=O)CCNC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159450915 508843555 /nfs/dbraw/zinc/84/35/55/508843555.db2.gz XHRZJIGEFTXPHX-IEBWSBKVSA-N 1 0 374.529 2.597 20 70 FFIDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159474425 508846726 /nfs/dbraw/zinc/84/67/26/508846726.db2.gz ZCDYEWKZYVDKFS-HKUYNNGSSA-N 1 0 370.497 2.911 20 70 FFIDRO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159624333 508867816 /nfs/dbraw/zinc/86/78/16/508867816.db2.gz GOXVKUWKOXVGFA-YOEHRIQHSA-N 1 0 363.889 2.968 20 70 FFIDRO C[C@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000159630193 508868752 /nfs/dbraw/zinc/86/87/52/508868752.db2.gz GNDHPMSWYPLNEI-XJKSGUPXSA-N 1 0 352.425 2.860 20 70 FFIDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCCn1cccc1 ZINC000159665077 508873830 /nfs/dbraw/zinc/87/38/30/508873830.db2.gz IGONWOMAAZYCPT-IBGZPJMESA-N 1 0 354.498 2.595 20 70 FFIDRO CCN(CCCNC(=O)[C@@H]1CCCN1C(=O)NC(C)C)c1ccccc1 ZINC000159696042 508876438 /nfs/dbraw/zinc/87/64/38/508876438.db2.gz XJLZSEWKVDBJRZ-SFHVURJKSA-N 1 0 360.502 2.602 20 70 FFIDRO CCOc1cc(CNC(=O)N2CCC[N@H+](CC)CC2)ccc1OC(F)F ZINC000159703418 508878188 /nfs/dbraw/zinc/87/81/88/508878188.db2.gz QOVKLXRQHYTKTE-UHFFFAOYSA-N 1 0 371.428 2.924 20 70 FFIDRO COC[C@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CC1 ZINC000159714028 508879133 /nfs/dbraw/zinc/87/91/33/508879133.db2.gz OYIUOGFBPQKCCZ-SFHVURJKSA-N 1 0 363.527 2.824 20 70 FFIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159716525 508879715 /nfs/dbraw/zinc/87/97/15/508879715.db2.gz PHIHXDPALHBQSF-MRXNPFEDSA-N 1 0 351.495 2.505 20 70 FFIDRO COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c(OC)c1 ZINC000159719391 508879919 /nfs/dbraw/zinc/87/99/19/508879919.db2.gz DBQSINUNIDHXNZ-YOEHRIQHSA-N 1 0 362.470 2.593 20 70 FFIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000159734597 508882231 /nfs/dbraw/zinc/88/22/31/508882231.db2.gz WKECSMNYLWLLIH-SFHVURJKSA-N 1 0 373.545 2.680 20 70 FFIDRO Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)c1 ZINC000159751759 508885035 /nfs/dbraw/zinc/88/50/35/508885035.db2.gz GPCKEJFXKUGCBI-YTQUADARSA-N 1 0 370.497 2.592 20 70 FFIDRO Cc1cccc([C@H]2CCCN2CC(=O)NCCN2CCc3ccccc32)n1 ZINC000159800642 508893055 /nfs/dbraw/zinc/89/30/55/508893055.db2.gz POWLJOPJKUSMJH-OAQYLSRUSA-N 1 0 364.493 2.706 20 70 FFIDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000159805127 508893367 /nfs/dbraw/zinc/89/33/67/508893367.db2.gz RVNXCMPPWYCAIU-CABCVRRESA-N 1 0 351.878 2.845 20 70 FFIDRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159813177 508894517 /nfs/dbraw/zinc/89/45/17/508894517.db2.gz QUEFXSVJBLUYDB-XUJVJEKNSA-N 1 0 355.276 2.869 20 70 FFIDRO COC(=O)[C@H]1CCCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000159865287 508902296 /nfs/dbraw/zinc/90/22/96/508902296.db2.gz JFGPPGKOACWGII-RDJZCZTQSA-N 1 0 361.486 2.710 20 70 FFIDRO CCN(Cc1cc2c(c(OC)c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159876511 508905114 /nfs/dbraw/zinc/90/51/14/508905114.db2.gz VGHUAVHQYRVJLD-UHFFFAOYSA-N 1 0 367.405 2.683 20 70 FFIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCc1cccs1 ZINC000159924030 508912551 /nfs/dbraw/zinc/91/25/51/508912551.db2.gz AEXYIAHJXVBDHL-ZIAGYGMSSA-N 1 0 355.467 2.684 20 70 FFIDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000159930196 508913337 /nfs/dbraw/zinc/91/33/37/508913337.db2.gz PWQDMWAXLLXMQC-GJZGRUSLSA-N 1 0 365.437 2.954 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)CC1 ZINC000159929599 508913430 /nfs/dbraw/zinc/91/34/30/508913430.db2.gz BYLDAZNOLKAHNT-AWEZNQCLSA-N 1 0 373.457 2.543 20 70 FFIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000159948516 508915669 /nfs/dbraw/zinc/91/56/69/508915669.db2.gz HHZYRCQQXXVJFZ-IRXDYDNUSA-N 1 0 363.465 2.965 20 70 FFIDRO CCCCn1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)c1C ZINC000159961405 508917731 /nfs/dbraw/zinc/91/77/31/508917731.db2.gz KIMJDDHOARNKHI-UHFFFAOYSA-N 1 0 358.490 2.982 20 70 FFIDRO C[C@H](Oc1cccc(CO)c1)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000160005855 508924087 /nfs/dbraw/zinc/92/40/87/508924087.db2.gz KHKCYNWUTUTWQZ-HFCFLWKCSA-N 1 0 360.498 2.669 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)c1cccs1 ZINC000160039551 508928793 /nfs/dbraw/zinc/92/87/93/508928793.db2.gz CGTULUKXDSDHCW-OAHLLOKOSA-N 1 0 374.510 2.935 20 70 FFIDRO C[NH+](C)CCN(C(=O)NCc1ccc(N2CCCC2)nc1)C1CCCC1 ZINC000160063307 508933522 /nfs/dbraw/zinc/93/35/22/508933522.db2.gz ZKAXHXLFUKDCKL-UHFFFAOYSA-N 1 0 359.518 2.698 20 70 FFIDRO Cc1ccc(-c2cncc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)c2)cc1 ZINC000160077564 508934795 /nfs/dbraw/zinc/93/47/95/508934795.db2.gz OXAORHGXCCERBR-FQEVSTJZSA-N 1 0 353.466 2.634 20 70 FFIDRO Cn1ccnc1SCc1cccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000160109303 508939954 /nfs/dbraw/zinc/93/99/54/508939954.db2.gz BCVWOSNWDFMFRA-KRWDZBQOSA-N 1 0 358.511 2.782 20 70 FFIDRO CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc(F)c1F)[NH+]1CCN(C)CC1 ZINC000160134730 508943546 /nfs/dbraw/zinc/94/35/46/508943546.db2.gz RJSHRZPMXJRWBW-PBHICJAKSA-N 1 0 368.472 2.597 20 70 FFIDRO CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc(F)c1F)[NH+]1CCN(C)CC1 ZINC000160134571 508943932 /nfs/dbraw/zinc/94/39/32/508943932.db2.gz RJSHRZPMXJRWBW-RHSMWYFYSA-N 1 0 368.472 2.597 20 70 FFIDRO O=C(Cc1ccc(OCc2ccccn2)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160138436 508944420 /nfs/dbraw/zinc/94/44/20/508944420.db2.gz HZWNUXFRXOQRHL-SFHVURJKSA-N 1 0 365.477 2.804 20 70 FFIDRO Cc1conc1NC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000160145752 508945333 /nfs/dbraw/zinc/94/53/33/508945333.db2.gz KKVMXYYUWWDRDA-OAHLLOKOSA-N 1 0 370.453 2.612 20 70 FFIDRO CCCCn1ncc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000160164822 508948402 /nfs/dbraw/zinc/94/84/02/508948402.db2.gz ZFDLYFQXKQHNLH-INIZCTEOSA-N 1 0 363.506 2.614 20 70 FFIDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCC3(CCC3)C2)CC1 ZINC000160189418 508951481 /nfs/dbraw/zinc/95/14/81/508951481.db2.gz BFNSLECQQWWALE-UHFFFAOYSA-N 1 0 370.541 2.910 20 70 FFIDRO COc1c(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c(C)nn1C ZINC000160196894 508952713 /nfs/dbraw/zinc/95/27/13/508952713.db2.gz XABMFRFBSVXSRO-UHFFFAOYSA-N 1 0 371.529 2.557 20 70 FFIDRO CNC(=O)c1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000160211190 508955214 /nfs/dbraw/zinc/95/52/14/508955214.db2.gz TYNBQARAFZJEPE-BEFAXECRSA-N 1 0 366.465 2.831 20 70 FFIDRO CO[C@H](C)c1nc(C)c(C(=O)N(C)CC(C)(C)CN2CCOCC2)s1 ZINC000160264729 508962281 /nfs/dbraw/zinc/96/22/81/508962281.db2.gz TVMIELPRDVRZEO-CQSZACIVSA-N 1 0 369.531 2.589 20 70 FFIDRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160289982 508965858 /nfs/dbraw/zinc/96/58/58/508965858.db2.gz MMFCDCUZNYZKQP-RWMBFGLXSA-N 1 0 361.412 2.933 20 70 FFIDRO O=C(CCCc1ncc(-c2ccccc2)o1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160305564 508967255 /nfs/dbraw/zinc/96/72/55/508967255.db2.gz ZOGWWROPXZXDML-GOSISDBHSA-N 1 0 371.481 2.627 20 70 FFIDRO Cc1cc2ncn(C[C@H](O)C[NH+]3CCN(c4cccs4)CC3)c2cc1C ZINC000160317672 508969180 /nfs/dbraw/zinc/96/91/80/508969180.db2.gz CYGXULPMTWPDHA-QGZVFWFLSA-N 1 0 370.522 2.898 20 70 FFIDRO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160312357 508969512 /nfs/dbraw/zinc/96/95/12/508969512.db2.gz GSVAGQPXXHIAHY-CALCHBBNSA-N 1 0 356.445 2.524 20 70 FFIDRO CN1CC[N@H+](CCCNC(=O)N2CCC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000160353238 508975301 /nfs/dbraw/zinc/97/53/01/508975301.db2.gz MUFHZMDUPASTBY-FQEVSTJZSA-N 1 0 370.541 2.951 20 70 FFIDRO Cc1nc(C)c(C[NH+]2CCC(C(=O)NCCCOC(C)C)CC2)s1 ZINC000160413337 508983409 /nfs/dbraw/zinc/98/34/09/508983409.db2.gz GBDLFTFVQCOSAI-UHFFFAOYSA-N 1 0 353.532 2.903 20 70 FFIDRO CCCCNc1ccccc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000160425740 508985381 /nfs/dbraw/zinc/98/53/81/508985381.db2.gz HJRIYJZSLKTBNL-UHFFFAOYSA-N 1 0 360.546 2.902 20 70 FFIDRO CC[NH+](CC)CCN(CCOC)c1ncnc2c1cnn2-c1ccccc1 ZINC000160431988 508985772 /nfs/dbraw/zinc/98/57/72/508985772.db2.gz DVBNLRSWTWJSSR-UHFFFAOYSA-N 1 0 368.485 2.610 20 70 FFIDRO CC(C)CCn1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)n1 ZINC000160448854 508988365 /nfs/dbraw/zinc/98/83/65/508988365.db2.gz AIOVSSUWDNFSCB-MRXNPFEDSA-N 1 0 351.495 2.504 20 70 FFIDRO CCC(=O)Nc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160494220 508994790 /nfs/dbraw/zinc/99/47/90/508994790.db2.gz JKKNWCOBRDJKIX-OALUTQOASA-N 1 0 373.497 2.533 20 70 FFIDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)Cc2c(F)cccc2F)c1 ZINC000160522331 508998129 /nfs/dbraw/zinc/99/81/29/508998129.db2.gz CLLWWFFYWHEVHY-UHFFFAOYSA-N 1 0 354.422 2.646 20 70 FFIDRO C[C@@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000160544877 509001399 /nfs/dbraw/zinc/00/13/99/509001399.db2.gz IFOQDXYDOWNSNQ-GJZGRUSLSA-N 1 0 361.461 2.803 20 70 FFIDRO Cc1cc(OCCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1Cl ZINC000160552200 509001927 /nfs/dbraw/zinc/00/19/27/509001927.db2.gz ZVTIHJRMKLIFOF-INIZCTEOSA-N 1 0 368.905 2.770 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000160562570 509003888 /nfs/dbraw/zinc/00/38/88/509003888.db2.gz CILDBNFFIJNKBG-SFHVURJKSA-N 1 0 359.514 2.620 20 70 FFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000160579163 509004877 /nfs/dbraw/zinc/00/48/77/509004877.db2.gz HRRDSEGMTPETBX-WFASDCNBSA-N 1 0 364.371 2.746 20 70 FFIDRO CC[C@@](C)(O)C[NH+]1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000160580330 509005971 /nfs/dbraw/zinc/00/59/71/509005971.db2.gz FGJHEJDNTLYBOR-OXJNMPFZSA-N 1 0 358.486 2.885 20 70 FFIDRO Cc1nc(-c2cccc(C(=O)NCC3CC[NH+](CCO)CC3)c2)cs1 ZINC000160609224 509010016 /nfs/dbraw/zinc/01/00/16/509010016.db2.gz BZZXHPLGEIMCST-UHFFFAOYSA-N 1 0 359.495 2.553 20 70 FFIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000160646663 509013860 /nfs/dbraw/zinc/01/38/60/509013860.db2.gz ATPMWVJGWWEHMA-HZPDHXFCSA-N 1 0 355.486 2.960 20 70 FFIDRO O=C(COc1ccccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160650242 509014735 /nfs/dbraw/zinc/01/47/35/509014735.db2.gz QXXKFJUONGVMGI-IRXDYDNUSA-N 1 0 366.889 2.603 20 70 FFIDRO C[N@H+](CCNC(=O)C(=O)Nc1cccnc1-c1ccccc1)C1CCCC1 ZINC000160673030 509017625 /nfs/dbraw/zinc/01/76/25/509017625.db2.gz CDJRKFBZAZYOCL-UHFFFAOYSA-N 1 0 366.465 2.678 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000160685941 509020023 /nfs/dbraw/zinc/02/00/23/509020023.db2.gz FSZIVWWKSGFVAG-INIZCTEOSA-N 1 0 370.415 2.700 20 70 FFIDRO O=C(Cc1ccccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160698657 509021921 /nfs/dbraw/zinc/02/19/21/509021921.db2.gz FCEOFSGQNDPOCO-ROUUACIJSA-N 1 0 350.890 2.767 20 70 FFIDRO O=C(CCCc1nc2ccccc2s1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160699907 509022092 /nfs/dbraw/zinc/02/20/92/509022092.db2.gz NEJCBXJREXKCIV-HNNXBMFYSA-N 1 0 361.511 2.582 20 70 FFIDRO Cc1cccc(OCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1C ZINC000160710866 509023473 /nfs/dbraw/zinc/02/34/73/509023473.db2.gz RXDUPASUYDXWTP-WOJBJXKFSA-N 1 0 374.525 2.956 20 70 FFIDRO O=C(CCSc1ccccc1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000160710152 509023564 /nfs/dbraw/zinc/02/35/64/509023564.db2.gz LSZLCILKYYHRLB-RTBURBONSA-N 1 0 370.518 2.920 20 70 FFIDRO O=C(/C=C/SCc1ccco1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160736102 509026656 /nfs/dbraw/zinc/02/66/56/509026656.db2.gz PNZUSJMKIBMLJQ-IDPXHPCFSA-N 1 0 364.511 2.911 20 70 FFIDRO CCN(C(=O)c1cccc(=O)n1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000160765271 509030356 /nfs/dbraw/zinc/03/03/56/509030356.db2.gz MNKSGWGUQRDNRO-WMZOPIPTSA-N 1 0 353.466 2.683 20 70 FFIDRO COc1ccc(CCCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(OC)c1 ZINC000160773799 509031022 /nfs/dbraw/zinc/03/10/22/509031022.db2.gz QGRHJZXEUIJJIB-IEBWSBKVSA-N 1 0 360.498 2.969 20 70 FFIDRO CCn1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)cn1 ZINC000160780893 509031957 /nfs/dbraw/zinc/03/19/57/509031957.db2.gz UPEVHZPKGGFJHG-LLVKDONJSA-N 1 0 351.248 2.955 20 70 FFIDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000160897077 509044883 /nfs/dbraw/zinc/04/48/83/509044883.db2.gz GFJMJDCUUOFWOG-OAHLLOKOSA-N 1 0 357.498 2.819 20 70 FFIDRO COCCCOc1cccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000160905751 509046701 /nfs/dbraw/zinc/04/67/01/509046701.db2.gz HQJUYAHBBUWWIT-ROUUACIJSA-N 1 0 363.502 2.774 20 70 FFIDRO CC(C)n1cc(S(=O)(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000160959477 509053062 /nfs/dbraw/zinc/05/30/62/509053062.db2.gz ATORQGKTPWSJDG-UHFFFAOYSA-N 1 0 368.547 2.785 20 70 FFIDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160977199 509055885 /nfs/dbraw/zinc/05/58/85/509055885.db2.gz ZHZLVAPRTCLANB-IRXDYDNUSA-N 1 0 366.465 2.676 20 70 FFIDRO COCCN(Cc1ccco1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160986904 509057438 /nfs/dbraw/zinc/05/74/38/509057438.db2.gz CQDXMNOGMUGAOA-KRWDZBQOSA-N 1 0 351.491 2.948 20 70 FFIDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(F)cc1F ZINC000161018430 509060892 /nfs/dbraw/zinc/06/08/92/509060892.db2.gz VRDRKKWXOOEZBD-QPUJVOFHSA-N 1 0 367.318 2.782 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc2)n1 ZINC000161059871 509066117 /nfs/dbraw/zinc/06/61/17/509066117.db2.gz BDEJBCMHPZJKEX-MRXNPFEDSA-N 1 0 358.490 2.970 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000161106130 509072242 /nfs/dbraw/zinc/07/22/42/509072242.db2.gz NDAUAEUGAPHECT-DGCLKSJQSA-N 1 0 367.287 2.742 20 70 FFIDRO CC[C@H](C)[C@@](C)(O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161249824 509092324 /nfs/dbraw/zinc/09/23/24/509092324.db2.gz YSYGMOCJEPSPSX-FTRWYGJKSA-N 1 0 362.518 2.703 20 70 FFIDRO CCc1c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[nH]c(C)c1C(N)=O ZINC000161252474 509092566 /nfs/dbraw/zinc/09/25/66/509092566.db2.gz OMKCSYOXJFHASF-UHFFFAOYSA-N 1 0 368.481 2.510 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000161324377 509101994 /nfs/dbraw/zinc/10/19/94/509101994.db2.gz WVKIVXQNKIZHFC-UHFFFAOYSA-N 1 0 358.873 2.759 20 70 FFIDRO CCOC(=O)NCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000161347483 509105286 /nfs/dbraw/zinc/10/52/86/509105286.db2.gz XCJLEOKWHAYIRR-WMZOPIPTSA-N 1 0 361.486 2.540 20 70 FFIDRO CC(C)c1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000161424465 509113905 /nfs/dbraw/zinc/11/39/05/509113905.db2.gz BOEAPZZFSGDFNR-MRXNPFEDSA-N 1 0 368.543 2.523 20 70 FFIDRO CC1CC[NH+](C2CCC(NC(=O)CNC(=O)Cc3ccccc3)CC2)CC1 ZINC000161466987 509118988 /nfs/dbraw/zinc/11/89/88/509118988.db2.gz FACNMEHTKHUXGZ-UHFFFAOYSA-N 1 0 371.525 2.505 20 70 FFIDRO CC(=O)NC1CCC([NH2+]CC2(N3CCSCC3)CCCCC2)CC1 ZINC000161482261 509120554 /nfs/dbraw/zinc/12/05/54/509120554.db2.gz DZDBXELXMTWQQT-UHFFFAOYSA-N 1 0 353.576 2.775 20 70 FFIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1ccc(O)c(OC)c1 ZINC000217201810 509268137 /nfs/dbraw/zinc/26/81/37/509268137.db2.gz SQMJYBSKGHGUKU-KRWDZBQOSA-N 1 0 363.502 2.897 20 70 FFIDRO CCNC(=O)c1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000159365908 508831519 /nfs/dbraw/zinc/83/15/19/508831519.db2.gz SORHMRVHJCBVBB-UHFFFAOYSA-N 1 0 360.502 2.987 20 70 FFIDRO CCOc1c(Cl)cc(/C=C/C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000159370302 508832711 /nfs/dbraw/zinc/83/27/11/508832711.db2.gz QUESUGOFUMXYMS-VZSQWMKGSA-N 1 0 364.873 2.973 20 70 FFIDRO COc1c(C)cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1C ZINC000159400420 508837042 /nfs/dbraw/zinc/83/70/42/508837042.db2.gz WAFBWXABZFCAFS-KRWDZBQOSA-N 1 0 354.516 2.606 20 70 FFIDRO CC[NH+](CC)CCNC(=O)c1cccc(N[C@H](C)CCn2cccn2)c1 ZINC000159411709 508838465 /nfs/dbraw/zinc/83/84/65/508838465.db2.gz OYSUYQXPIBBXBP-QGZVFWFLSA-N 1 0 357.502 2.845 20 70 FFIDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1Cl ZINC000159430057 508840494 /nfs/dbraw/zinc/84/04/94/508840494.db2.gz XQZGKWMQMSGLLA-AWEZNQCLSA-N 1 0 351.878 2.681 20 70 FFIDRO CC(=O)[C@H](C)CCCCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000159464516 508846188 /nfs/dbraw/zinc/84/61/88/508846188.db2.gz YXQKSSGSUFAKQA-MNEFBYGVSA-N 1 0 352.519 2.656 20 70 FFIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000159501853 508850968 /nfs/dbraw/zinc/85/09/68/508850968.db2.gz DMRKJQPNKYGCPS-XKQJLSEDSA-N 1 0 368.424 2.876 20 70 FFIDRO Cc1cc(F)ccc1NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000159540175 508855417 /nfs/dbraw/zinc/85/54/17/508855417.db2.gz AGGLXTFDQOYCIX-JWTNVVGKSA-N 1 0 360.477 2.909 20 70 FFIDRO CCC(CC)[C@@H](CNC(=O)C[C@H](C)c1c(C)n[nH]c1C)[NH+]1CCOCC1 ZINC000159580256 508861158 /nfs/dbraw/zinc/86/11/58/508861158.db2.gz DCPYHOPGRBDEEV-KBXCAEBGSA-N 1 0 364.534 2.773 20 70 FFIDRO CCC(=O)N1CC[C@H](C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000159576954 508861220 /nfs/dbraw/zinc/86/12/20/508861220.db2.gz SZVYTOUXIVDYGK-IHPCNDPISA-N 1 0 371.525 2.929 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(OCc2ccccn2)cc1)C1CC1 ZINC000159580037 508861576 /nfs/dbraw/zinc/86/15/76/508861576.db2.gz FBDZDZODXMFVJR-FQEVSTJZSA-N 1 0 353.466 2.660 20 70 FFIDRO CCOC(=O)CCc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000159602650 508864278 /nfs/dbraw/zinc/86/42/78/508864278.db2.gz IIDBOMIKIMFYJR-SFHVURJKSA-N 1 0 359.470 2.884 20 70 FFIDRO CC(C)(C)CCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000159677717 508874843 /nfs/dbraw/zinc/87/48/43/508874843.db2.gz VHWLQOJXGQJGAA-UHFFFAOYSA-N 1 0 359.514 2.955 20 70 FFIDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000159683611 508874919 /nfs/dbraw/zinc/87/49/19/508874919.db2.gz OLNJRCMSEHSBSH-WOJBJXKFSA-N 1 0 371.525 2.953 20 70 FFIDRO COc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1OCc1ccncc1 ZINC000159737309 508882323 /nfs/dbraw/zinc/88/23/23/508882323.db2.gz XKDHWXNYSUDYLK-UHFFFAOYSA-N 1 0 369.465 2.757 20 70 FFIDRO Cc1ccc(CNC(=O)NC2CC[NH+](C3CC3)CC2)c(O[C@@H]2CCOC2)c1 ZINC000159732415 508882348 /nfs/dbraw/zinc/88/23/48/508882348.db2.gz OJCAWMHNBMNJDW-LJQANCHMSA-N 1 0 373.497 2.589 20 70 FFIDRO Cc1cc(C(=O)Nc2c(C)cnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000159747367 508884286 /nfs/dbraw/zinc/88/42/86/508884286.db2.gz PCJIEQUTDDJCFH-KRWDZBQOSA-N 1 0 364.453 2.922 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000159763419 508887260 /nfs/dbraw/zinc/88/72/60/508887260.db2.gz DIJGNYVATOEKOL-HUUCEWRRSA-N 1 0 366.531 2.801 20 70 FFIDRO CCc1nn(C)c(Cl)c1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000159771592 508888694 /nfs/dbraw/zinc/88/86/94/508888694.db2.gz APNJCQBCGXYGMC-CYBMUJFWSA-N 1 0 360.889 2.813 20 70 FFIDRO CCCCn1ncc(NC(=O)NCCCC[NH+]2CCN(CC)CC2)c1C ZINC000159826712 508897133 /nfs/dbraw/zinc/89/71/33/508897133.db2.gz ISDPFLMPPONRNG-UHFFFAOYSA-N 1 0 364.538 2.531 20 70 FFIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc3c(c2)OCO3)n1 ZINC000159844167 508899532 /nfs/dbraw/zinc/89/95/32/508899532.db2.gz YQLGMUIXRDJSLB-MAUKXSAKSA-N 1 0 356.422 2.696 20 70 FFIDRO COCCCNC(=O)[C@@H](C)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000159845838 508900106 /nfs/dbraw/zinc/90/01/06/508900106.db2.gz MSVPYHYNXMHVEQ-CQSZACIVSA-N 1 0 354.441 2.907 20 70 FFIDRO CSC[C@@](C)(O)CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000159868665 508903044 /nfs/dbraw/zinc/90/30/44/508903044.db2.gz UZSMVSMGSORPFT-KDOFPFPSSA-N 1 0 353.532 2.529 20 70 FFIDRO CCCOc1ccc(Cl)cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159902767 508909467 /nfs/dbraw/zinc/90/94/67/508909467.db2.gz GYYNENIGHXTIKX-HNNXBMFYSA-N 1 0 354.878 2.705 20 70 FFIDRO COc1cc(F)c([C@@H](C)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1OC ZINC000159963765 508918233 /nfs/dbraw/zinc/91/82/33/508918233.db2.gz AZGZUKHPECOVNM-SJKOYZFVSA-N 1 0 358.413 2.735 20 70 FFIDRO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000159992581 508921316 /nfs/dbraw/zinc/92/13/16/508921316.db2.gz QETVKZUROWAWTL-ZDUSSCGKSA-N 1 0 353.422 2.570 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)c1cccc(OC)c1 ZINC000160044880 508929615 /nfs/dbraw/zinc/92/96/15/508929615.db2.gz NOYZCVNTUCWTKR-ICSRJNTNSA-N 1 0 363.502 2.635 20 70 FFIDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000160044189 508929685 /nfs/dbraw/zinc/92/96/85/508929685.db2.gz BZWNPWVYGJALIK-KRWDZBQOSA-N 1 0 371.485 2.795 20 70 FFIDRO CCN(CC)c1ccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)cn1 ZINC000160067353 508933298 /nfs/dbraw/zinc/93/32/98/508933298.db2.gz FZKZCSWGHFNQIR-UHFFFAOYSA-N 1 0 361.534 2.944 20 70 FFIDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C)cn2)C(C)C)cc1 ZINC000160078651 508935055 /nfs/dbraw/zinc/93/50/55/508935055.db2.gz HJDNVXXSWWZCKB-HXUWFJFHSA-N 1 0 371.481 2.999 20 70 FFIDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160075008 508935373 /nfs/dbraw/zinc/93/53/73/508935373.db2.gz RNABXJCSIGCXOL-INIZCTEOSA-N 1 0 366.465 2.535 20 70 FFIDRO O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160087615 508936830 /nfs/dbraw/zinc/93/68/30/508936830.db2.gz LVCWNQPIQYWKNT-UHFFFAOYSA-N 1 0 357.498 2.592 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)cc1 ZINC000160103572 508938912 /nfs/dbraw/zinc/93/89/12/508938912.db2.gz ZWSPDXVKKSQOFZ-AWEZNQCLSA-N 1 0 363.483 2.628 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(COc2ccccc2)cc1 ZINC000160107457 508939446 /nfs/dbraw/zinc/93/94/46/508939446.db2.gz XXEGIZZJVOSPAN-HXUWFJFHSA-N 1 0 368.477 2.842 20 70 FFIDRO CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000160135913 508943469 /nfs/dbraw/zinc/94/34/69/508943469.db2.gz CBZOVJWZETZPKG-UHFFFAOYSA-N 1 0 367.449 2.590 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc2nnc(C(F)F)n2n1 ZINC000160215773 508954883 /nfs/dbraw/zinc/95/48/83/508954883.db2.gz WMXZTWUIVGTTIP-OCCSQVGLSA-N 1 0 358.396 2.994 20 70 FFIDRO COc1ccc(CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Br ZINC000160271245 508963160 /nfs/dbraw/zinc/96/31/60/508963160.db2.gz JDHAOLKNCVYQLG-OKILXGFUSA-N 1 0 367.287 2.743 20 70 FFIDRO C[C@]1(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCCc2ccccc21 ZINC000160330282 508971745 /nfs/dbraw/zinc/97/17/45/508971745.db2.gz SKLAWBBVWHJGAE-QFIPXVFZSA-N 1 0 356.510 2.851 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccnc2ccccc21 ZINC000160336435 508972682 /nfs/dbraw/zinc/97/26/82/508972682.db2.gz HIPKSSYAORCGFN-PMACEKPBSA-N 1 0 353.466 2.733 20 70 FFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000160358194 508975010 /nfs/dbraw/zinc/97/50/10/508975010.db2.gz KUTUVLQTUKYKMF-HNNXBMFYSA-N 1 0 353.451 2.559 20 70 FFIDRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160355604 508975178 /nfs/dbraw/zinc/97/51/78/508975178.db2.gz AQNARVYZGJOXBI-ZFWWWQNUSA-N 1 0 356.919 2.784 20 70 FFIDRO CC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Cl)ccc1OC ZINC000160375223 508977568 /nfs/dbraw/zinc/97/75/68/508977568.db2.gz AWIIEBVISFUPLR-QGZVFWFLSA-N 1 0 367.921 2.942 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000160406827 508982916 /nfs/dbraw/zinc/98/29/16/508982916.db2.gz HUSYINOFUFRFET-BEFAXECRSA-N 1 0 367.559 2.756 20 70 FFIDRO COc1ccc([C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2ccccc2Cl)cc1 ZINC000160420136 508984716 /nfs/dbraw/zinc/98/47/16/508984716.db2.gz WUMABOHMSNNZNI-ZWKOTPCHSA-N 1 0 360.841 2.543 20 70 FFIDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160443835 508987620 /nfs/dbraw/zinc/98/76/20/508987620.db2.gz DZSYGDWZYYOOCH-MJGOQNOKSA-N 1 0 363.477 2.857 20 70 FFIDRO CC[C@H](C(=O)NCCC(=O)Nc1ccc(Br)cc1C)[NH+](C)C ZINC000160455377 508989073 /nfs/dbraw/zinc/98/90/73/508989073.db2.gz XBNNTXNMLQJBCR-CQSZACIVSA-N 1 0 370.291 2.543 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(OCC2CC2)cc1 ZINC000160475432 508992046 /nfs/dbraw/zinc/99/20/46/508992046.db2.gz ZKMUIVWHVSMBPT-NHCUHLMSSA-N 1 0 372.509 2.973 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CSc2ccccc21 ZINC000160475707 508992584 /nfs/dbraw/zinc/99/25/84/508992584.db2.gz OAZBAESLZLGACS-KURKYZTESA-N 1 0 360.523 2.760 20 70 FFIDRO COc1cccc([C@@H]2C[C@@H]2C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160497250 508994683 /nfs/dbraw/zinc/99/46/83/508994683.db2.gz BOXJWWAYXMVLER-BURNTYAHSA-N 1 0 372.509 2.683 20 70 FFIDRO O=C(CCc1cc(Cl)cc(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160497919 508995419 /nfs/dbraw/zinc/99/54/19/508995419.db2.gz QUSKGBLCAAWIPT-MRXNPFEDSA-N 1 0 359.297 2.889 20 70 FFIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ncnc3c2cnn3C(C)(C)C)C[C@H](C)O1 ZINC000160503610 508995673 /nfs/dbraw/zinc/99/56/73/508995673.db2.gz XXDDDVFIEJOLEH-XHSDSOJGSA-N 1 0 372.517 2.659 20 70 FFIDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccn(CC(F)(F)F)n1 ZINC000160516056 508997285 /nfs/dbraw/zinc/99/72/85/508997285.db2.gz VDOBGSZHTIMCDJ-GFCCVEGCSA-N 1 0 371.363 2.997 20 70 FFIDRO COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1Cl ZINC000160525145 508998892 /nfs/dbraw/zinc/99/88/92/508998892.db2.gz VHZYRJIUIBDENF-ZYHUDNBSSA-N 1 0 350.850 2.923 20 70 FFIDRO Cc1ccc(C(=O)CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160570471 509004330 /nfs/dbraw/zinc/00/43/30/509004330.db2.gz OJOKPUHIFFRWQF-CTNGQTDRSA-N 1 0 372.509 2.842 20 70 FFIDRO C[C@@H](Cc1ccccc1F)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160590671 509006493 /nfs/dbraw/zinc/00/64/93/509006493.db2.gz AAOOJHSCBDBLOF-YSSFQJQWSA-N 1 0 362.489 2.888 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN3CCC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000160601662 509008481 /nfs/dbraw/zinc/00/84/81/509008481.db2.gz FXGSIAIPZDJABX-INIZCTEOSA-N 1 0 369.465 2.697 20 70 FFIDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc(S(C)(=O)=O)cs2)C1 ZINC000160648732 509013730 /nfs/dbraw/zinc/01/37/30/509013730.db2.gz APMLUSVKOGENTA-KBPBESRZSA-N 1 0 372.556 2.640 20 70 FFIDRO Cc1nc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nn1-c1ccccc1C(C)C ZINC000160645745 509014076 /nfs/dbraw/zinc/01/40/76/509014076.db2.gz KZVVDMAHQCGPTF-IYBDPMFKSA-N 1 0 353.470 2.666 20 70 FFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000160655639 509015413 /nfs/dbraw/zinc/01/54/13/509015413.db2.gz MFFUVQDVXZCQDC-WOJBJXKFSA-N 1 0 357.498 2.862 20 70 FFIDRO O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160663298 509016893 /nfs/dbraw/zinc/01/68/93/509016893.db2.gz MADHSRGPEPCJGW-BETUJISGSA-N 1 0 372.419 2.606 20 70 FFIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1sccc1Br ZINC000160685563 509020296 /nfs/dbraw/zinc/02/02/96/509020296.db2.gz ODWDCMMVXYRRID-UAKXVISKSA-N 1 0 373.316 2.659 20 70 FFIDRO CCc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160700164 509021951 /nfs/dbraw/zinc/02/19/51/509021951.db2.gz GVNVXGSRVJPLDZ-WOJBJXKFSA-N 1 0 360.498 2.512 20 70 FFIDRO O=C(CCSc1ccccc1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000160710303 509023744 /nfs/dbraw/zinc/02/37/44/509023744.db2.gz LSZLCILKYYHRLB-MOPGFXCFSA-N 1 0 370.518 2.920 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)c1cccs1 ZINC000160770312 509030273 /nfs/dbraw/zinc/03/02/73/509030273.db2.gz JJRSGHCKEQQDFI-SNVBAGLBSA-N 1 0 361.393 2.931 20 70 FFIDRO COCc1cc(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n2ncnc2n1 ZINC000160808519 509035554 /nfs/dbraw/zinc/03/55/54/509035554.db2.gz KSMIKGIVGGIMOI-FQEVSTJZSA-N 1 0 366.469 2.737 20 70 FFIDRO CC[C@@H](O)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000160827505 509037145 /nfs/dbraw/zinc/03/71/45/509037145.db2.gz NFTXNFFTZDOHCT-QGZVFWFLSA-N 1 0 353.894 2.765 20 70 FFIDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160881531 509043645 /nfs/dbraw/zinc/04/36/45/509043645.db2.gz UEMPWMDTYCFTID-DZGCQCFKSA-N 1 0 366.469 2.900 20 70 FFIDRO O=C(CSc1nccc2ccccc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000160953494 509052294 /nfs/dbraw/zinc/05/22/94/509052294.db2.gz GGXRBBOEURRDER-INIZCTEOSA-N 1 0 371.506 2.508 20 70 FFIDRO CC(=O)N(Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1)C1CC1 ZINC000160952888 509052426 /nfs/dbraw/zinc/05/24/26/509052426.db2.gz FVXYCULTMAKVKC-NRFANRHFSA-N 1 0 363.461 2.851 20 70 FFIDRO CC(C)[NH+](CCS[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)C(C)C ZINC000160976443 509055982 /nfs/dbraw/zinc/05/59/82/509055982.db2.gz POCABTQELMCFSC-CQSZACIVSA-N 1 0 351.516 2.965 20 70 FFIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000160990283 509057278 /nfs/dbraw/zinc/05/72/78/509057278.db2.gz RBAIGQQRHREBDB-KSZLIROESA-N 1 0 351.535 2.953 20 70 FFIDRO C[NH+]1CCC(NC(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000160988252 509057311 /nfs/dbraw/zinc/05/73/11/509057311.db2.gz UGBYIJVOVGIZRJ-UHFFFAOYSA-N 1 0 362.474 2.927 20 70 FFIDRO Cc1ccc(C(=O)CC[N@H+](C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000161018227 509060860 /nfs/dbraw/zinc/06/08/60/509060860.db2.gz ZTJUDKFLQONGPY-UHFFFAOYSA-N 1 0 350.418 2.796 20 70 FFIDRO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(NC(N)=O)cc1 ZINC000161064307 509066784 /nfs/dbraw/zinc/06/67/84/509066784.db2.gz JDARZBFTQJOHMK-CQSZACIVSA-N 1 0 369.469 2.799 20 70 FFIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000161084490 509068951 /nfs/dbraw/zinc/06/89/51/509068951.db2.gz XUQIGRIHYFSWLF-CYBMUJFWSA-N 1 0 352.866 2.648 20 70 FFIDRO C[C@@H](CNC(=O)NCCNc1ccc2ccccc2n1)C[NH+]1CCCC1 ZINC000161162230 509078919 /nfs/dbraw/zinc/07/89/19/509078919.db2.gz SPUMUSUPKXIVHD-INIZCTEOSA-N 1 0 355.486 2.678 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000161193128 509083260 /nfs/dbraw/zinc/08/32/60/509083260.db2.gz SAKNPFSMYBIWDC-OLZOCXBDSA-N 1 0 355.276 2.735 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@]2(C)CCCC[C@@H]2O)CC1 ZINC000161209428 509086585 /nfs/dbraw/zinc/08/65/85/509086585.db2.gz NEKAEWLNESJCFZ-NBHGPNQESA-N 1 0 374.529 2.847 20 70 FFIDRO COC[C@H](NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000161255602 509093118 /nfs/dbraw/zinc/09/31/18/509093118.db2.gz ORMFDPLGVVZZPY-MDZRGWNJSA-N 1 0 359.514 2.867 20 70 FFIDRO C[C@@]1(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CCC[NH2+]C1 ZINC000161293635 509098401 /nfs/dbraw/zinc/09/84/01/509098401.db2.gz ODERJERTSDTHQZ-GOSISDBHSA-N 1 0 359.451 2.910 20 70 FFIDRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161301224 509099197 /nfs/dbraw/zinc/09/91/97/509099197.db2.gz QXUQOZYPVYORKR-INIZCTEOSA-N 1 0 358.269 2.780 20 70 FFIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000161302727 509099743 /nfs/dbraw/zinc/09/97/43/509099743.db2.gz MYRXWQNCDNOENR-CZUORRHYSA-N 1 0 369.303 2.780 20 70 FFIDRO C[C@@]1(O)CCCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000161338140 509103545 /nfs/dbraw/zinc/10/35/45/509103545.db2.gz QRLLGYGABZPBNB-MAUKXSAKSA-N 1 0 351.516 2.517 20 70 FFIDRO CNC(=O)c1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000161397380 509111546 /nfs/dbraw/zinc/11/15/46/509111546.db2.gz UXBBQMDYWPFXCF-BEFAXECRSA-N 1 0 366.465 2.688 20 70 FFIDRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161409608 509112893 /nfs/dbraw/zinc/11/28/93/509112893.db2.gz WEEMQBYKULOPIX-OFLPRAFFSA-N 1 0 365.905 2.964 20 70 FFIDRO Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(C)c1 ZINC000161428499 509114972 /nfs/dbraw/zinc/11/49/72/509114972.db2.gz WDJOMCVCYYHAFY-NVXWUHKLSA-N 1 0 361.404 2.678 20 70 FFIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000161473929 509119551 /nfs/dbraw/zinc/11/95/51/509119551.db2.gz BWFGGNIBEHJPNZ-CVEARBPZSA-N 1 0 369.465 2.696 20 70 FFIDRO CCc1ccc(CC)c(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159363410 508831550 /nfs/dbraw/zinc/83/15/50/508831550.db2.gz ZDSKCHONDLEGPI-KRWDZBQOSA-N 1 0 359.514 2.844 20 70 FFIDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCn3ccnc3C2)cc1 ZINC000159373996 508832575 /nfs/dbraw/zinc/83/25/75/508832575.db2.gz WEJLAJJLCLIFNP-INIZCTEOSA-N 1 0 356.470 2.805 20 70 FFIDRO Cc1ccc(C(C)(C)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000159376410 508833360 /nfs/dbraw/zinc/83/33/60/508833360.db2.gz DQEJCTMZGWMDAR-OAQYLSRUSA-N 1 0 366.505 2.808 20 70 FFIDRO O=C(c1ccccc1CSc1nc[nH]n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159395249 508835818 /nfs/dbraw/zinc/83/58/18/508835818.db2.gz MLOKGYKCETVBTR-MRXNPFEDSA-N 1 0 371.510 2.797 20 70 FFIDRO COc1c(C)cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1C ZINC000159400284 508836590 /nfs/dbraw/zinc/83/65/90/508836590.db2.gz WAFBWXABZFCAFS-QGZVFWFLSA-N 1 0 354.516 2.606 20 70 FFIDRO CCOC(=O)C1(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000159397916 508836760 /nfs/dbraw/zinc/83/67/60/508836760.db2.gz ONYYLFLLGCHAFS-UHFFFAOYSA-N 1 0 362.445 2.640 20 70 FFIDRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1Cl ZINC000159400818 508837089 /nfs/dbraw/zinc/83/70/89/508837089.db2.gz JZKQCFXRLHVKLK-AWEZNQCLSA-N 1 0 351.878 2.681 20 70 FFIDRO NC(=O)[C@@H]1CCCN1C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000159419168 508840068 /nfs/dbraw/zinc/84/00/68/508840068.db2.gz RWRJQGRYKBOELL-FQEVSTJZSA-N 1 0 367.493 2.633 20 70 FFIDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000159479212 508847791 /nfs/dbraw/zinc/84/77/91/508847791.db2.gz BOMFOYNTUAQMPM-HZPDHXFCSA-N 1 0 362.832 2.844 20 70 FFIDRO CCc1ccc([C@@H](CO)NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000159498307 508850253 /nfs/dbraw/zinc/85/02/53/508850253.db2.gz ZLIWYFJKCMAJAA-HXUWFJFHSA-N 1 0 359.514 2.989 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)c3c(F)cc(F)cc3F)cn2)CC1 ZINC000159535561 508854952 /nfs/dbraw/zinc/85/49/52/508854952.db2.gz CJBIEKBMFCQMLQ-UHFFFAOYSA-N 1 0 350.344 2.503 20 70 FFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1ccccc1Cn1cccn1 ZINC000159580474 508861606 /nfs/dbraw/zinc/86/16/06/508861606.db2.gz ZVCDHYZBCOJJQK-PXNSSMCTSA-N 1 0 352.482 2.812 20 70 FFIDRO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OCC(F)(F)F ZINC000159590931 508862868 /nfs/dbraw/zinc/86/28/68/508862868.db2.gz NHDKYGNNOUOEFD-WCQYABFASA-N 1 0 360.376 2.722 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000159618754 508867076 /nfs/dbraw/zinc/86/70/76/508867076.db2.gz IWTKFEYQRVVGPZ-ZDUSSCGKSA-N 1 0 353.532 2.555 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000159659902 508872550 /nfs/dbraw/zinc/87/25/50/508872550.db2.gz GVRFWCITGKTFDV-LJQANCHMSA-N 1 0 371.456 2.537 20 70 FFIDRO Cc1sc(C(=O)NCCC[NH+]2CCCCCC2)cc1CS(C)(=O)=O ZINC000159659336 508872630 /nfs/dbraw/zinc/87/26/30/508872630.db2.gz LCEYZBCKCFIVSI-UHFFFAOYSA-N 1 0 372.556 2.597 20 70 FFIDRO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000159664743 508873079 /nfs/dbraw/zinc/87/30/79/508873079.db2.gz DVBMTUWCRHIVTK-HXUWFJFHSA-N 1 0 359.445 2.594 20 70 FFIDRO CCC(CC)n1ncc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1C ZINC000159690770 508875658 /nfs/dbraw/zinc/87/56/58/508875658.db2.gz LZNDQVUWFIMGKZ-UHFFFAOYSA-N 1 0 362.518 2.737 20 70 FFIDRO COCCOC[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000159737811 508883260 /nfs/dbraw/zinc/88/32/60/508883260.db2.gz ZLHGZGPOJAWILI-CXAGYDPISA-N 1 0 370.852 2.569 20 70 FFIDRO O=C(c1ccc(CSc2nc[nH]n2)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159744329 508883947 /nfs/dbraw/zinc/88/39/47/508883947.db2.gz ZTMNDPKYWTZRCU-UHFFFAOYSA-N 1 0 371.510 2.701 20 70 FFIDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000159763799 508887045 /nfs/dbraw/zinc/88/70/45/508887045.db2.gz MZCPCDORKXVYDG-QGZVFWFLSA-N 1 0 374.506 2.867 20 70 FFIDRO COc1ccc(C(=O)CCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1F ZINC000159765580 508887282 /nfs/dbraw/zinc/88/72/82/508887282.db2.gz LAAMMHQPBHKSFG-UHFFFAOYSA-N 1 0 362.445 2.788 20 70 FFIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000159768036 508887832 /nfs/dbraw/zinc/88/78/32/508887832.db2.gz AIBIIJYNRPUDFQ-HNNXBMFYSA-N 1 0 364.511 2.931 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)c1ccccc1 ZINC000159841631 508899188 /nfs/dbraw/zinc/89/91/88/508899188.db2.gz HUMNLVKYFVWMAG-SFHVURJKSA-N 1 0 368.481 2.874 20 70 FFIDRO O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159847654 508900332 /nfs/dbraw/zinc/90/03/32/508900332.db2.gz YYSGSFWDQIVESJ-UHFFFAOYSA-N 1 0 365.481 2.953 20 70 FFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1cc(OC)ccc1Br ZINC000159857708 508901806 /nfs/dbraw/zinc/90/18/06/508901806.db2.gz OUAGXKINIBBRSO-LBPRGKRZSA-N 1 0 357.292 2.847 20 70 FFIDRO O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159864528 508902726 /nfs/dbraw/zinc/90/27/26/508902726.db2.gz YLLPVILKUZQESK-QZTJIDSGSA-N 1 0 356.466 2.552 20 70 FFIDRO CSC[C@@](C)(O)CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000159868542 508903093 /nfs/dbraw/zinc/90/30/93/508903093.db2.gz UZSMVSMGSORPFT-KSSFIOAISA-N 1 0 353.532 2.529 20 70 FFIDRO O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000159866376 508903166 /nfs/dbraw/zinc/90/31/66/508903166.db2.gz UUEFYFAUPZUEEY-LJQANCHMSA-N 1 0 369.509 2.529 20 70 FFIDRO Cc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000159871089 508904495 /nfs/dbraw/zinc/90/44/95/508904495.db2.gz HQKZQICLUZGXDM-UHFFFAOYSA-N 1 0 366.465 2.631 20 70 FFIDRO COc1cc(F)c([C@@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1OC ZINC000159961313 508917355 /nfs/dbraw/zinc/91/73/55/508917355.db2.gz AFCKEJYBAHTHBP-KNPMLCFXSA-N 1 0 350.434 2.941 20 70 FFIDRO COc1cc(F)c([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1OC ZINC000159961190 508917446 /nfs/dbraw/zinc/91/74/46/508917446.db2.gz AFCKEJYBAHTHBP-APYUEPQZSA-N 1 0 350.434 2.941 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000159962858 508918151 /nfs/dbraw/zinc/91/81/51/508918151.db2.gz XKQCASBMDCPFHO-MRXNPFEDSA-N 1 0 355.486 2.979 20 70 FFIDRO COc1cc(C2(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)CCCC2)ccc1C ZINC000159986288 508920413 /nfs/dbraw/zinc/92/04/13/508920413.db2.gz CLZHKAVJPIXMRJ-LJQANCHMSA-N 1 0 374.525 2.778 20 70 FFIDRO O=C(NCCc1nnc(-c2ccccc2)o1)N1CC[NH+](C2CCCC2)CC1 ZINC000159990618 508921372 /nfs/dbraw/zinc/92/13/72/508921372.db2.gz JBQMQXRAUWVLSN-UHFFFAOYSA-N 1 0 369.469 2.549 20 70 FFIDRO CC(C)[C@@H](CNC(=O)[C@@H](C)Oc1cccc(CO)c1)[NH+]1CCC(C)CC1 ZINC000160007755 508924526 /nfs/dbraw/zinc/92/45/26/508924526.db2.gz BULIPTNHGJNSMI-YLJYHZDGSA-N 1 0 362.514 2.819 20 70 FFIDRO C[C@H](Sc1ccccc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160024042 508927524 /nfs/dbraw/zinc/92/75/24/508927524.db2.gz NBFWPRFBPLSQDC-UONOGXRCSA-N 1 0 356.919 2.784 20 70 FFIDRO CC(C)c1nc(C(=O)NCCC[NH3+])nn1-c1c(Cl)cccc1Cl ZINC000160036674 508928840 /nfs/dbraw/zinc/92/88/40/508928840.db2.gz FOLAVPIKNGAOTB-UHFFFAOYSA-N 1 0 356.257 2.776 20 70 FFIDRO COC(=O)[C@@H](CNC(=O)CC[NH2+]C(C)C)Cc1ccc2ccccc2c1 ZINC000160053977 508931634 /nfs/dbraw/zinc/93/16/34/508931634.db2.gz CTUDLLKUFVFCFO-LJQANCHMSA-N 1 0 356.466 2.676 20 70 FFIDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160074871 508935402 /nfs/dbraw/zinc/93/54/02/508935402.db2.gz RNABXJCSIGCXOL-MRXNPFEDSA-N 1 0 366.465 2.535 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000160100977 508938347 /nfs/dbraw/zinc/93/83/47/508938347.db2.gz AYRDIDFOVPLCIH-CWRNSKLLSA-N 1 0 370.415 2.772 20 70 FFIDRO CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160112069 508939918 /nfs/dbraw/zinc/93/99/18/508939918.db2.gz XUFHJRLANOVHRN-QGZVFWFLSA-N 1 0 352.906 2.872 20 70 FFIDRO CO[C@H](C)c1noc(CCC(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)n1 ZINC000160130381 508942698 /nfs/dbraw/zinc/94/26/98/508942698.db2.gz RNURUHSVNBDKDI-ZBFHGGJFSA-N 1 0 370.453 2.721 20 70 FFIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C1 ZINC000160131147 508943173 /nfs/dbraw/zinc/94/31/73/508943173.db2.gz IDPAAXMZNGRAMJ-LBPRGKRZSA-N 1 0 352.866 2.505 20 70 FFIDRO C[C@H]1C[C@@H](NC(=O)N(CCO)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160203881 508953609 /nfs/dbraw/zinc/95/36/09/508953609.db2.gz NUFZTFHDLJRUKZ-GHTZIAJQSA-N 1 0 367.493 2.854 20 70 FFIDRO CC(=O)Nc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc(C(F)(F)F)c1 ZINC000160218973 508955837 /nfs/dbraw/zinc/95/58/37/508955837.db2.gz JGZVSONAYWTCLS-OKILXGFUSA-N 1 0 355.360 2.630 20 70 FFIDRO COC[C@H](Cc1ccccc1)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160219015 508955874 /nfs/dbraw/zinc/95/58/74/508955874.db2.gz PJXNOHLTGQUVLD-FQEVSTJZSA-N 1 0 353.466 2.534 20 70 FFIDRO Cc1cc(-c2cc(C(=O)N3CCC[C@@H]3C[NH3+])c3c(C)noc3n2)c(C)o1 ZINC000160266941 508962623 /nfs/dbraw/zinc/96/26/23/508962623.db2.gz IXXAYVCYLHJUTB-CYBMUJFWSA-N 1 0 354.410 2.971 20 70 FFIDRO Cc1nn(C)cc1C[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000160327177 508971046 /nfs/dbraw/zinc/97/10/46/508971046.db2.gz AEDNDWKGAXXWQX-UHFFFAOYSA-N 1 0 352.438 2.871 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccnc2ccccc21 ZINC000160336561 508972508 /nfs/dbraw/zinc/97/25/08/508972508.db2.gz HIPKSSYAORCGFN-WOJBJXKFSA-N 1 0 353.466 2.733 20 70 FFIDRO COc1cccc(-c2nc(C)c(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)[nH]2)c1 ZINC000160379596 508978409 /nfs/dbraw/zinc/97/84/09/508978409.db2.gz ADQNXWZXCOHCTN-WMZOPIPTSA-N 1 0 368.481 2.950 20 70 FFIDRO Cc1nc2n(n1)C[C@@H]([NH2+]C1CCN(Cc3ccccc3Cl)CC1)CC2 ZINC000160393178 508980246 /nfs/dbraw/zinc/98/02/46/508980246.db2.gz ODQJXSWKNRBPIR-KRWDZBQOSA-N 1 0 359.905 2.809 20 70 FFIDRO CCc1c(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)[nH]c(C)c1C(N)=O ZINC000160420794 508984253 /nfs/dbraw/zinc/98/42/53/508984253.db2.gz GXDCDVDZKKFVDR-QGZVFWFLSA-N 1 0 370.497 2.797 20 70 FFIDRO COc1ccc([C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)c2ccccc2Cl)cc1 ZINC000160419503 508984769 /nfs/dbraw/zinc/98/47/69/508984769.db2.gz UUQRYGKOFXGWOB-UZLBHIALSA-N 1 0 374.868 2.933 20 70 FFIDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1Cn1cccn1 ZINC000160511582 508997090 /nfs/dbraw/zinc/99/70/90/508997090.db2.gz UZSGZUZUWJAFSH-KDOFPFPSSA-N 1 0 366.469 2.506 20 70 FFIDRO O=C(CCc1cc(F)ccc1F)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160544450 509000650 /nfs/dbraw/zinc/00/06/50/509000650.db2.gz QPGNQWXTDCMADZ-RTBURBONSA-N 1 0 366.452 2.782 20 70 FFIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160594911 509007291 /nfs/dbraw/zinc/00/72/91/509007291.db2.gz RMQPCCFOIXUYHS-ZDUSSCGKSA-N 1 0 358.529 2.536 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)N(CC[NH+](C)C)CC2CCCCC2)c1 ZINC000160593747 509007868 /nfs/dbraw/zinc/00/78/68/509007868.db2.gz YFJQGMSSEKFBMQ-UHFFFAOYSA-N 1 0 373.541 2.949 20 70 FFIDRO CC(C)Oc1ccc(Cl)cc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160614038 509010256 /nfs/dbraw/zinc/01/02/56/509010256.db2.gz OPKCWDJFKJIYES-UHFFFAOYSA-N 1 0 354.878 2.561 20 70 FFIDRO O=C(CSCc1cccc(Cl)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160625427 509011640 /nfs/dbraw/zinc/01/16/40/509011640.db2.gz QBAQMCOSWAHIBC-INIZCTEOSA-N 1 0 356.919 2.536 20 70 FFIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000160640998 509013229 /nfs/dbraw/zinc/01/32/29/509013229.db2.gz SSJNCXIRMHCEPG-HNNXBMFYSA-N 1 0 364.453 2.653 20 70 FFIDRO C[C@H](COc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160656944 509015145 /nfs/dbraw/zinc/01/51/45/509015145.db2.gz DXSBCXREKBGCKX-AHRSYUTCSA-N 1 0 360.498 2.586 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000160659361 509016152 /nfs/dbraw/zinc/01/61/52/509016152.db2.gz QSKPSAYMEXNTPM-GXTWGEPZSA-N 1 0 369.303 2.941 20 70 FFIDRO CC(C)(C)c1nc(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cs1 ZINC000160687310 509020505 /nfs/dbraw/zinc/02/05/05/509020505.db2.gz HHMASSKJDGXRFJ-MRXNPFEDSA-N 1 0 365.543 2.743 20 70 FFIDRO O=C(Cc1c(F)cccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160692726 509020992 /nfs/dbraw/zinc/02/09/92/509020992.db2.gz YTTVTXPDZJVYGA-ZWKOTPCHSA-N 1 0 368.880 2.906 20 70 FFIDRO O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160734696 509026703 /nfs/dbraw/zinc/02/67/03/509026703.db2.gz AOHIHWZPZUJHGV-WMZOPIPTSA-N 1 0 364.436 2.639 20 70 FFIDRO CC[NH+](CC)CCOc1ccc(NC(=O)CS(=O)(=O)C(C)(C)C)cc1 ZINC000160750530 509028087 /nfs/dbraw/zinc/02/80/87/509028087.db2.gz KZYQMYTVFOUGIN-UHFFFAOYSA-N 1 0 370.515 2.559 20 70 FFIDRO CCC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)c1 ZINC000160749408 509028392 /nfs/dbraw/zinc/02/83/92/509028392.db2.gz GECNQLRCUBACGJ-FUHWJXTLSA-N 1 0 371.481 2.551 20 70 FFIDRO CCOc1cc2[nH+]ccc(N3CCS(=O)(=O)[C@@H](C)C3)c2cc1OCC ZINC000160753158 509028819 /nfs/dbraw/zinc/02/88/19/509028819.db2.gz OBHSACVMRUOWDY-ZDUSSCGKSA-N 1 0 364.467 2.656 20 70 FFIDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cnc2c(c1)ncn2C ZINC000160751322 509029102 /nfs/dbraw/zinc/02/91/02/509029102.db2.gz FSDZUVHHAMMPFJ-UHFFFAOYSA-N 1 0 371.407 2.705 20 70 FFIDRO COc1cccc(Cl)c1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160783900 509032578 /nfs/dbraw/zinc/03/25/78/509032578.db2.gz DXSZRAOUTXFHLS-JKSUJKDBSA-N 1 0 374.868 2.714 20 70 FFIDRO C[NH+](C)Cc1cc(CNC(=O)NCCc2ccc(Cl)nc2)ccc1F ZINC000160800688 509034606 /nfs/dbraw/zinc/03/46/06/509034606.db2.gz BPVDSHXIESRSJS-UHFFFAOYSA-N 1 0 364.852 2.978 20 70 FFIDRO C[C@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000160853381 509040200 /nfs/dbraw/zinc/04/02/00/509040200.db2.gz MUJZFGNRXLABMI-QAPCUYQASA-N 1 0 372.490 2.727 20 70 FFIDRO CC[NH+]1CCC(CCNC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)CC1 ZINC000160870406 509042423 /nfs/dbraw/zinc/04/24/23/509042423.db2.gz ARTBGWYJBWOQOP-UHFFFAOYSA-N 1 0 356.470 2.937 20 70 FFIDRO CC(C)[C@@H](CNC(=O)NC1CCC(C(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000160908683 509046768 /nfs/dbraw/zinc/04/67/68/509046768.db2.gz GLEYQYRDSCAQGA-CTWPCTMYSA-N 1 0 352.567 2.772 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160925947 509049101 /nfs/dbraw/zinc/04/91/01/509049101.db2.gz UBJBZXIXCZXVSI-ZDUSSCGKSA-N 1 0 361.412 2.935 20 70 FFIDRO CC(=O)c1c[nH]c(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000160945570 509051584 /nfs/dbraw/zinc/05/15/84/509051584.db2.gz QITMFXVVHSUIMT-UHFFFAOYSA-N 1 0 355.438 2.969 20 70 FFIDRO CCCN(CC1CC1)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160965795 509054216 /nfs/dbraw/zinc/05/42/16/509054216.db2.gz ABYHUVXCWWZVGX-UHFFFAOYSA-N 1 0 371.591 2.986 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000161069280 509067501 /nfs/dbraw/zinc/06/75/01/509067501.db2.gz QWOPBJSTROAGHQ-HXUWFJFHSA-N 1 0 357.498 2.588 20 70 FFIDRO Cc1cc(C(=O)N2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)c(C)o1 ZINC000161070964 509067538 /nfs/dbraw/zinc/06/75/38/509067538.db2.gz OKCKKIZYMLOOOA-UHFFFAOYSA-N 1 0 369.465 2.556 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)N(CC[NH+](C)C)C3CCCC3)cc2)n1 ZINC000161083083 509068705 /nfs/dbraw/zinc/06/87/05/509068705.db2.gz FECVHXRDEKOHKX-UHFFFAOYSA-N 1 0 356.474 2.820 20 70 FFIDRO CN(CC1CCCC1)C(=O)C[C@]1(C(=O)N(C)CC2CCCC2)CC[NH2+]C1 ZINC000161201299 509084698 /nfs/dbraw/zinc/08/46/98/509084698.db2.gz UHGWTEWGRFKEJW-OAQYLSRUSA-N 1 0 363.546 2.653 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000161198637 509085136 /nfs/dbraw/zinc/08/51/36/509085136.db2.gz CURVTKCGEJJZNJ-UHFFFAOYSA-N 1 0 369.868 2.529 20 70 FFIDRO COc1ccc(NC(=O)[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc2)cc1 ZINC000161205378 509085704 /nfs/dbraw/zinc/08/57/04/509085704.db2.gz ICBUQPJORIUZDA-YLJYHZDGSA-N 1 0 367.449 2.585 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000161210363 509086497 /nfs/dbraw/zinc/08/64/97/509086497.db2.gz HPWSHFMBEIWZHV-HNNXBMFYSA-N 1 0 369.465 2.555 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CCC(=O)NC2CCCC2)CC1 ZINC000161230246 509088886 /nfs/dbraw/zinc/08/88/86/509088886.db2.gz VPVWVIBZXFJRCR-INIZCTEOSA-N 1 0 372.513 2.562 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCSc1ccc2c(c1)OCCCO2 ZINC000161261096 509093070 /nfs/dbraw/zinc/09/30/70/509093070.db2.gz NSBZFCMKGIQGOV-CQSZACIVSA-N 1 0 350.484 2.541 20 70 FFIDRO Cc1ccc(I)c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161275993 509095494 /nfs/dbraw/zinc/09/54/94/509095494.db2.gz LQFXWWYJOBGXMM-MNOVXSKESA-N 1 0 358.223 2.599 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](CO)CC(C)(C)C)CC1 ZINC000161340123 509104461 /nfs/dbraw/zinc/10/44/61/509104461.db2.gz AKWLEIQOGASXFK-CRAIPNDOSA-N 1 0 362.518 2.703 20 70 FFIDRO CC(C)(C)C(=O)N1CCC(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)CC1 ZINC000161349251 509105030 /nfs/dbraw/zinc/10/50/30/509105030.db2.gz FOSPAPFMAWLDMM-UHFFFAOYSA-N 1 0 365.562 2.946 20 70 FFIDRO COc1cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc(OC)c1O ZINC000161358484 509106322 /nfs/dbraw/zinc/10/63/22/509106322.db2.gz IYMWCDGISAXSAJ-QGZVFWFLSA-N 1 0 370.449 2.976 20 70 FFIDRO Cn1ccnc1[C@@H](NC(=O)CCC(=O)NC1CCCC1)c1cccc(F)c1 ZINC000161399007 509111383 /nfs/dbraw/zinc/11/13/83/509111383.db2.gz JOALHHUDYAXJRN-IBGZPJMESA-N 1 0 372.444 2.604 20 70 FFIDRO O=C(c1cccc(-n2ccnn2)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000161409451 509113215 /nfs/dbraw/zinc/11/32/15/509113215.db2.gz FFUIYXMRKRDSQQ-UHFFFAOYSA-N 1 0 367.497 2.996 20 70 FFIDRO CC(=O)NC1CCC([NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000161417288 509114044 /nfs/dbraw/zinc/11/40/44/509114044.db2.gz PNBNXWWQDOFLCV-UHFFFAOYSA-N 1 0 357.498 2.637 20 70 FFIDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161449451 509116702 /nfs/dbraw/zinc/11/67/02/509116702.db2.gz QIRBTYUNTDKQIO-CFVMTHIKSA-N 1 0 350.425 2.801 20 70 FFIDRO CC(C)c1cccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000161478266 509120665 /nfs/dbraw/zinc/12/06/65/509120665.db2.gz CMDBOIVRGWBRLR-INIZCTEOSA-N 1 0 368.543 2.523 20 70 FFIDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)cc1 ZINC000159373867 508832617 /nfs/dbraw/zinc/83/26/17/508832617.db2.gz WEJLAJJLCLIFNP-MRXNPFEDSA-N 1 0 356.470 2.805 20 70 FFIDRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H](OC(C)(C)C)c2ccccc2)CC1 ZINC000159378177 508833521 /nfs/dbraw/zinc/83/35/21/508833521.db2.gz BMEJTCGAONTKBD-RTBURBONSA-N 1 0 362.514 2.752 20 70 FFIDRO C[C@@H]1CCCN(Cc2csc(NC(=O)CN(C)[C@@H]3CCSC3)n2)C1 ZINC000159421609 508839890 /nfs/dbraw/zinc/83/98/90/508839890.db2.gz OCEKRJHNPPYQKQ-UKRRQHHQSA-N 1 0 368.572 2.751 20 70 FFIDRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C[C@@H](C)O1 ZINC000159421072 508840219 /nfs/dbraw/zinc/84/02/19/508840219.db2.gz QWJQSUYVTDVQDJ-GKLJAUDBSA-N 1 0 352.425 2.684 20 70 FFIDRO COc1ccc2oc(C[N@@H+]3CCCC[C@H]3CCNS(C)(=O)=O)cc2c1 ZINC000159468085 508845906 /nfs/dbraw/zinc/84/59/06/508845906.db2.gz VMXHHLSHTSIOAX-HNNXBMFYSA-N 1 0 366.483 2.735 20 70 FFIDRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000159479352 508847830 /nfs/dbraw/zinc/84/78/30/508847830.db2.gz BOMFOYNTUAQMPM-CVEARBPZSA-N 1 0 362.832 2.844 20 70 FFIDRO O=C(NCCc1cscn1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000159542616 508856395 /nfs/dbraw/zinc/85/63/95/508856395.db2.gz USKZQXPJENBBOJ-UHFFFAOYSA-N 1 0 350.532 2.983 20 70 FFIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000159553271 508858162 /nfs/dbraw/zinc/85/81/62/508858162.db2.gz FYAZPWUFGPOKLS-INIZCTEOSA-N 1 0 353.894 2.985 20 70 FFIDRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)C(C)C)c(O[C@H]2CCOC2)c1 ZINC000159625174 508868019 /nfs/dbraw/zinc/86/80/19/508868019.db2.gz PQDMINLRYDPNBK-SFHVURJKSA-N 1 0 363.502 2.644 20 70 FFIDRO CCC(CC)n1nccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000159647933 508870947 /nfs/dbraw/zinc/87/09/47/508870947.db2.gz QYIRYRCHJPISKD-PKOBYXMFSA-N 1 0 362.518 2.742 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000159722615 508880793 /nfs/dbraw/zinc/88/07/93/508880793.db2.gz RGXXKFAAWRENJK-UHFFFAOYSA-N 1 0 358.255 2.825 20 70 FFIDRO Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(Br)n1 ZINC000159727777 508881443 /nfs/dbraw/zinc/88/14/43/508881443.db2.gz QAYANFLBIAFAQW-OCCSQVGLSA-N 1 0 352.276 2.709 20 70 FFIDRO O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159777348 508889665 /nfs/dbraw/zinc/88/96/65/508889665.db2.gz UYBQEHUMBWPSRV-QGZVFWFLSA-N 1 0 355.482 2.568 20 70 FFIDRO Cc1ccccc1[C@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000159787653 508891305 /nfs/dbraw/zinc/89/13/05/508891305.db2.gz VUBDGMKIWMCKCT-LBPRGKRZSA-N 1 0 350.406 2.960 20 70 FFIDRO Cn1cnc2cc(C(=O)Nc3ccc(OCC[NH+](C)C)c(Cl)c3)cnc21 ZINC000159859324 508901718 /nfs/dbraw/zinc/90/17/18/508901718.db2.gz MGMHSZTULKIHLA-UHFFFAOYSA-N 1 0 373.844 2.814 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000159902670 508909292 /nfs/dbraw/zinc/90/92/92/508909292.db2.gz LGDHZRUTWIGGNH-AUUYWEPGSA-N 1 0 356.445 2.562 20 70 FFIDRO CC(C)(C(N)=O)c1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)cc1 ZINC000159919424 508911920 /nfs/dbraw/zinc/91/19/20/508911920.db2.gz GOUYHODHWLCDAT-UHFFFAOYSA-N 1 0 360.502 2.883 20 70 FFIDRO COCCOc1cccc(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000159925215 508912711 /nfs/dbraw/zinc/91/27/11/508912711.db2.gz YNVKAUGCHGIJMB-IBGZPJMESA-N 1 0 372.465 2.801 20 70 FFIDRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159949218 508915716 /nfs/dbraw/zinc/91/57/16/508915716.db2.gz BFXKQCRUJXRPHY-CABCVRRESA-N 1 0 365.437 2.954 20 70 FFIDRO O=C(COc1ccccc1OCc1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159969340 508919161 /nfs/dbraw/zinc/91/91/61/508919161.db2.gz WACBXOPLVQSRPE-KDURUIRLSA-N 1 0 366.461 2.997 20 70 FFIDRO C[C@H]1C[C@@H](NC(=O)N2CCC(n3ccnc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000159987767 508921110 /nfs/dbraw/zinc/92/11/10/508921110.db2.gz RXZCFQMVPXQBSV-PKOBYXMFSA-N 1 0 367.497 2.893 20 70 FFIDRO C[C@H]1C[C@@H](N(C)C(=O)NCCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000160044517 508929909 /nfs/dbraw/zinc/92/99/09/508929909.db2.gz KSPVNFNLPLCIRU-HKUYNNGSSA-N 1 0 355.486 2.578 20 70 FFIDRO Cc1ccc(SCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000160125804 508941914 /nfs/dbraw/zinc/94/19/14/508941914.db2.gz ZSZKZCPQMFQIDM-KRWDZBQOSA-N 1 0 350.528 2.749 20 70 FFIDRO C[NH+](C)CCN(C(=O)NCc1cccc(Cn2ccnc2)c1)C1CCCC1 ZINC000160140826 508944337 /nfs/dbraw/zinc/94/43/37/508944337.db2.gz XFZBXPISQODCAS-UHFFFAOYSA-N 1 0 369.513 2.947 20 70 FFIDRO CC(C)[NH2+]CCC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000160151372 508946146 /nfs/dbraw/zinc/94/61/46/508946146.db2.gz XILWLEXIXFGOOX-UHFFFAOYSA-N 1 0 356.388 2.913 20 70 FFIDRO COc1cccc(/C(C)=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160265215 508962421 /nfs/dbraw/zinc/96/24/21/508962421.db2.gz IUEZIVAYDKNEJQ-LMVSMVMSSA-N 1 0 372.509 2.983 20 70 FFIDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCNC(=O)C2CCCCC2)C1 ZINC000160274322 508963475 /nfs/dbraw/zinc/96/34/75/508963475.db2.gz IJRNISWCHHXAQL-QGZVFWFLSA-N 1 0 351.535 2.701 20 70 FFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1nnn(-c3cccc(Cl)c3)c1C)CC2 ZINC000160308276 508968192 /nfs/dbraw/zinc/96/81/92/508968192.db2.gz XSXNTKBEMGKDDN-ABAIWWIYSA-N 1 0 371.876 2.795 20 70 FFIDRO COc1cccc(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160347846 508974281 /nfs/dbraw/zinc/97/42/81/508974281.db2.gz JMOKNOAULXZGOL-PMACEKPBSA-N 1 0 360.498 2.512 20 70 FFIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000160371494 508977587 /nfs/dbraw/zinc/97/75/87/508977587.db2.gz LTXNRGYKIGLXRN-HOTGVXAUSA-N 1 0 356.495 2.946 20 70 FFIDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160376815 508978652 /nfs/dbraw/zinc/97/86/52/508978652.db2.gz IRLZCRIKDZBYTK-CYBMUJFWSA-N 1 0 352.548 2.778 20 70 FFIDRO COc1cccc([C@H](C)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160415375 508984014 /nfs/dbraw/zinc/98/40/14/508984014.db2.gz CFWQBYZEQXAMBO-BEVDRBHNSA-N 1 0 360.498 2.683 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000160421518 508984243 /nfs/dbraw/zinc/98/42/43/508984243.db2.gz KUGBBVAVSWWZMN-UHFFFAOYSA-N 1 0 374.506 2.908 20 70 FFIDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccn(CC(F)(F)F)n1)C2 ZINC000160447802 508988188 /nfs/dbraw/zinc/98/81/88/508988188.db2.gz VDWSIDYDFPVSSH-QWHCGFSZSA-N 1 0 359.396 2.924 20 70 FFIDRO COc1cccc(F)c1[C@H](C)NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160467648 508991642 /nfs/dbraw/zinc/99/16/42/508991642.db2.gz LTAQUTIUZKMVCA-MAUKXSAKSA-N 1 0 373.472 2.904 20 70 FFIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000160473460 508992327 /nfs/dbraw/zinc/99/23/27/508992327.db2.gz VDKILPPDAOJYJC-DLBZAZTESA-N 1 0 370.501 2.892 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000160500185 508995638 /nfs/dbraw/zinc/99/56/38/508995638.db2.gz NWQZZURSIOLQPS-UHFFFAOYSA-N 1 0 374.506 2.908 20 70 FFIDRO Cc1ccc(OCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1C ZINC000160541838 509000579 /nfs/dbraw/zinc/00/05/79/509000579.db2.gz VFJFZSQHYJAEBN-LEWJYISDSA-N 1 0 374.525 2.956 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000160552044 509002050 /nfs/dbraw/zinc/00/20/50/509002050.db2.gz JZAVSTDREXXTLH-HAGHYFMRSA-N 1 0 360.473 2.813 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)n1 ZINC000160555582 509002625 /nfs/dbraw/zinc/00/26/25/509002625.db2.gz SLRJHWXJLNSTIK-UHFFFAOYSA-N 1 0 368.485 2.964 20 70 FFIDRO Cc1cc(C)c(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(C)c1 ZINC000160574560 509004301 /nfs/dbraw/zinc/00/43/01/509004301.db2.gz CIEKXKUWXRGTJE-PMACEKPBSA-N 1 0 352.478 2.977 20 70 FFIDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 ZINC000160590071 509006874 /nfs/dbraw/zinc/00/68/74/509006874.db2.gz HWTHGLJXVNSGLW-MRXNPFEDSA-N 1 0 359.514 2.811 20 70 FFIDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160603844 509009015 /nfs/dbraw/zinc/00/90/15/509009015.db2.gz VDPWTFFBQWTYDZ-OALUTQOASA-N 1 0 363.477 2.857 20 70 FFIDRO CCC(CC)CNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000160605924 509009054 /nfs/dbraw/zinc/00/90/54/509009054.db2.gz LOTNCSDRJLPGIM-UHFFFAOYSA-N 1 0 368.566 2.548 20 70 FFIDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160603963 509009142 /nfs/dbraw/zinc/00/91/42/509009142.db2.gz VDPWTFFBQWTYDZ-RTBURBONSA-N 1 0 363.477 2.857 20 70 FFIDRO COc1ccccc1/C=C/C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160603550 509009244 /nfs/dbraw/zinc/00/92/44/509009244.db2.gz DTKDLHWZPWOZKR-MIMFYIINSA-N 1 0 358.482 2.593 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000160608978 509009900 /nfs/dbraw/zinc/00/99/00/509009900.db2.gz PSKVJQBFEHAAGK-INIZCTEOSA-N 1 0 360.502 2.609 20 70 FFIDRO NC(=O)c1ccc(Oc2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000160630379 509012352 /nfs/dbraw/zinc/01/23/52/509012352.db2.gz FFZGRXGAWWDRMY-CALCHBBNSA-N 1 0 365.433 2.544 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000160657377 509015042 /nfs/dbraw/zinc/01/50/42/509015042.db2.gz PZSNWZSQGSOVQW-IAGOWNOFSA-N 1 0 373.541 2.852 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)CCNC(=O)C1CCCCC1)c1ccc(F)cc1 ZINC000160661194 509015965 /nfs/dbraw/zinc/01/59/65/509015965.db2.gz LRGTYGDZUTXADO-SFHVURJKSA-N 1 0 363.477 2.631 20 70 FFIDRO Cc1cccc2[nH]cc(CC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)c21 ZINC000160703433 509022546 /nfs/dbraw/zinc/02/25/46/509022546.db2.gz IKJPIQYRTFQCPZ-WOJBJXKFSA-N 1 0 369.509 2.903 20 70 FFIDRO COC(=O)c1csc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)c1 ZINC000160716639 509024447 /nfs/dbraw/zinc/02/44/47/509024447.db2.gz DHICHYYKIGCNPA-UHFFFAOYSA-N 1 0 351.428 2.723 20 70 FFIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccc(F)cc1 ZINC000160782587 509032777 /nfs/dbraw/zinc/03/27/77/509032777.db2.gz IUXAWIOWRKZTOM-IBGZPJMESA-N 1 0 369.440 2.639 20 70 FFIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160851565 509039865 /nfs/dbraw/zinc/03/98/65/509039865.db2.gz UAAKFCGEBGFOHK-LSDHHAIUSA-N 1 0 356.474 2.724 20 70 FFIDRO Cc1c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C1CCOCC1 ZINC000160857410 509040797 /nfs/dbraw/zinc/04/07/97/509040797.db2.gz YDAKEWDMPUEIGA-XHSDSOJGSA-N 1 0 362.518 2.639 20 70 FFIDRO COCCN(Cc1ccco1)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160986739 509057425 /nfs/dbraw/zinc/05/74/25/509057425.db2.gz CQDXMNOGMUGAOA-QGZVFWFLSA-N 1 0 351.491 2.948 20 70 FFIDRO CO[C@@H]1CC[C@H]2OCC[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)[C@H]2C1 ZINC000161028048 509061728 /nfs/dbraw/zinc/06/17/28/509061728.db2.gz ZERHQUCJCQEXPN-FGTMMUONSA-N 1 0 352.519 2.539 20 70 FFIDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCSC1 ZINC000161031523 509062379 /nfs/dbraw/zinc/06/23/79/509062379.db2.gz JFFFLSUOYCGNEB-CYBMUJFWSA-N 1 0 357.317 2.893 20 70 FFIDRO CC1(C)CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CC1 ZINC000161045303 509064515 /nfs/dbraw/zinc/06/45/15/509064515.db2.gz AGIHOKQFAVVTLC-IBGZPJMESA-N 1 0 354.498 2.840 20 70 FFIDRO CCC[C@H]1CN(C(=O)Nc2cc(C(C)(C)C)on2)CC[N@@H+]1CCOC ZINC000161083827 509069105 /nfs/dbraw/zinc/06/91/05/509069105.db2.gz XMIBGQAWVYHWHD-AWEZNQCLSA-N 1 0 352.479 2.937 20 70 FFIDRO C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000161087627 509069910 /nfs/dbraw/zinc/06/99/10/509069910.db2.gz SBEAVPSOXWBTSI-IFXJQAMLSA-N 1 0 360.429 2.504 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)CCNc2cc(Cl)ccc2OC)CC1 ZINC000161142413 509077090 /nfs/dbraw/zinc/07/70/90/509077090.db2.gz HSGPMFYRWSQCST-UHFFFAOYSA-N 1 0 353.894 2.999 20 70 FFIDRO CCC[C@H](CCO)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161174426 509080845 /nfs/dbraw/zinc/08/08/45/509080845.db2.gz IILPIIXEFVBGRJ-IAGOWNOFSA-N 1 0 362.518 2.705 20 70 FFIDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000161179908 509081977 /nfs/dbraw/zinc/08/19/77/509081977.db2.gz XGCJNIAJJZXNPK-UHFFFAOYSA-N 1 0 356.474 2.820 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000161208188 509086419 /nfs/dbraw/zinc/08/64/19/509086419.db2.gz NRMVHDIWNFTIQZ-CYBMUJFWSA-N 1 0 359.348 2.621 20 70 FFIDRO CC(=O)N1CC[C@@H](CN(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000161216589 509087463 /nfs/dbraw/zinc/08/74/63/509087463.db2.gz GBOVPWNMWZZOHX-WMZOPIPTSA-N 1 0 374.529 2.626 20 70 FFIDRO O=C(NC1(c2cccc(C(F)(F)F)c2)CCCCC1)[C@H]1C[NH2+]CCO1 ZINC000161307662 509099723 /nfs/dbraw/zinc/09/97/23/509099723.db2.gz OEYGYJWAUJZZDM-OAHLLOKOSA-N 1 0 356.388 2.969 20 70 FFIDRO CCC[C@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCN1CCOC ZINC000161327833 509103075 /nfs/dbraw/zinc/10/30/75/509103075.db2.gz ZVVFPXDANIIAJB-IBGZPJMESA-N 1 0 367.578 2.704 20 70 FFIDRO C[N@H+](CCO)C1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000161337020 509103798 /nfs/dbraw/zinc/10/37/98/509103798.db2.gz BWYRQWJBDGYMKP-SFHVURJKSA-N 1 0 365.905 2.889 20 70 FFIDRO CC(C)(C)C(=O)NCc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000161340249 509104097 /nfs/dbraw/zinc/10/40/97/509104097.db2.gz CZZIUVSVOBLVMF-MRXNPFEDSA-N 1 0 357.498 2.563 20 70 FFIDRO C[NH+](C)CCCC1CCN(C(=O)NCCC(=O)N2CCCCCC2)CC1 ZINC000161373918 509108551 /nfs/dbraw/zinc/10/85/51/509108551.db2.gz UQKIHBNMRBHHFC-UHFFFAOYSA-N 1 0 366.550 2.543 20 70 FFIDRO CN(C(=O)CCSc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161378966 509109510 /nfs/dbraw/zinc/10/95/10/509109510.db2.gz KZQZACQFYLOROW-YIONKMFJSA-N 1 0 362.495 2.681 20 70 FFIDRO C[C@@H](CNC(=O)Nc1cccc(-c2ncn(C)n2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000161402085 509111555 /nfs/dbraw/zinc/11/15/55/509111555.db2.gz VGRSGDCDQCWWFA-GJZGRUSLSA-N 1 0 356.474 2.724 20 70 FFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000161409407 509113337 /nfs/dbraw/zinc/11/33/37/509113337.db2.gz FREGQFATBNLMIL-COXVUDFISA-N 1 0 363.889 2.538 20 70 FFIDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c(OC)c1 ZINC000161428235 509115052 /nfs/dbraw/zinc/11/50/52/509115052.db2.gz AODDYPGTSVIIGJ-WBVHZDCISA-N 1 0 372.465 2.787 20 70 FFIDRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](CNC(C)=O)C2)cc1)C(C)C ZINC000161440428 509115325 /nfs/dbraw/zinc/11/53/25/509115325.db2.gz GFFVPMNIWAVVSK-IBGZPJMESA-N 1 0 359.514 2.905 20 70 FFIDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161449199 509116282 /nfs/dbraw/zinc/11/62/82/509116282.db2.gz QIRBTYUNTDKQIO-YUELXQCFSA-N 1 0 350.425 2.801 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](COC)Cc2ccccc2)c1 ZINC000161450299 509117110 /nfs/dbraw/zinc/11/71/10/509117110.db2.gz FEOWKKLVRBQTHO-MAUKXSAKSA-N 1 0 362.495 2.503 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2)c1 ZINC000161456323 509117779 /nfs/dbraw/zinc/11/77/79/509117779.db2.gz AMSSQNLYMACDAM-RDJZCZTQSA-N 1 0 359.495 2.524 20 70 FFIDRO Cc1ccc(OCCCNC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000217298000 509268009 /nfs/dbraw/zinc/26/80/09/509268009.db2.gz SVENLEASPXSHPA-UHFFFAOYSA-N 1 0 354.454 2.691 20 70 FFIDRO Cc1ccc(CCNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000217225087 509268248 /nfs/dbraw/zinc/26/82/48/509268248.db2.gz TUJAMZMUAIAXKD-UHFFFAOYSA-N 1 0 359.514 2.872 20 70 FFIDRO Brc1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc2c1OCO2 ZINC000217666303 509271353 /nfs/dbraw/zinc/27/13/53/509271353.db2.gz BRKXCAXAZUOYIM-KBPBESRZSA-N 1 0 353.260 2.894 20 70 FFIDRO COc1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Br)c1O ZINC000217644922 509272334 /nfs/dbraw/zinc/27/23/34/509272334.db2.gz UJJQVRNMFLPMRH-KGLIPLIRSA-N 1 0 355.276 2.880 20 70 FFIDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCOc3ccccc32)c1 ZINC000159505746 508851282 /nfs/dbraw/zinc/85/12/82/508851282.db2.gz GHMOYRSCDXRBTK-GOSISDBHSA-N 1 0 367.449 2.717 20 70 FFIDRO Cc1ccc(O[C@@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000159510751 508851590 /nfs/dbraw/zinc/85/15/90/508851590.db2.gz HLNJMPAOGUHOFE-MELADBBJSA-N 1 0 367.287 2.878 20 70 FFIDRO CCOC(=O)c1sc([C@H](C)NC(=O)N(CC[NH+](C)C)C(C)C)nc1C ZINC000159593860 508862927 /nfs/dbraw/zinc/86/29/27/508862927.db2.gz SGRVJJQZULDZFW-ZDUSSCGKSA-N 1 0 370.519 2.671 20 70 FFIDRO O=C(C1CCN(c2nc3ccccc3s2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159637218 508869669 /nfs/dbraw/zinc/86/96/69/508869669.db2.gz KJBCYWIUCKUGBN-IYBDPMFKSA-N 1 0 370.522 2.866 20 70 FFIDRO CCOc1ccc(C(=O)N(C)CC(C)(C)CN2CCOCC2)cc1OC ZINC000159761688 508886338 /nfs/dbraw/zinc/88/63/38/508886338.db2.gz GUKFKLBJONRVOY-UHFFFAOYSA-N 1 0 364.486 2.524 20 70 FFIDRO CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000159769546 508888139 /nfs/dbraw/zinc/88/81/39/508888139.db2.gz HXOUIPFACYFUED-LJQANCHMSA-N 1 0 371.525 2.764 20 70 FFIDRO C[C@H](CNC(=O)N1CCC(C2CCOCC2)CC1)[NH+]1CCC(C)CC1 ZINC000159785011 508890020 /nfs/dbraw/zinc/89/00/20/508890020.db2.gz RYHILNDNGGNLEA-QGZVFWFLSA-N 1 0 351.535 2.955 20 70 FFIDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000159786076 508891401 /nfs/dbraw/zinc/89/14/01/508891401.db2.gz PFHSZLMPDSUORY-SFTDATJTSA-N 1 0 368.477 2.795 20 70 FFIDRO Cc1cncc(/C=C/C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 ZINC000159827774 508897041 /nfs/dbraw/zinc/89/70/41/508897041.db2.gz WHHWHEYSWCAFRZ-LAQIPUCWSA-N 1 0 357.479 2.654 20 70 FFIDRO C[C@H]1C[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C[N@@H+]1Cc1ccccc1 ZINC000159869480 508903069 /nfs/dbraw/zinc/90/30/69/508903069.db2.gz QMSZUEKUKPGJCQ-WMZOPIPTSA-N 1 0 361.449 2.660 20 70 FFIDRO O=C1CCCN1C1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000159872657 508904509 /nfs/dbraw/zinc/90/45/09/508904509.db2.gz TZVBTRJEMYIMSH-KRWDZBQOSA-N 1 0 370.415 2.696 20 70 FFIDRO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000159887714 508906773 /nfs/dbraw/zinc/90/67/73/508906773.db2.gz YKRXRGJYWJSPCY-PXNSSMCTSA-N 1 0 371.525 2.539 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)c2ccsc2)C[N@@H+]1Cc1ccccc1 ZINC000159919186 508911778 /nfs/dbraw/zinc/91/17/78/508911778.db2.gz VTRKJBGGRZGLRC-OLMNPRSZSA-N 1 0 359.495 2.744 20 70 FFIDRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000159937350 508914117 /nfs/dbraw/zinc/91/41/17/508914117.db2.gz RJCDEAIAVNNACW-HNNXBMFYSA-N 1 0 360.458 2.891 20 70 FFIDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000159940517 508915216 /nfs/dbraw/zinc/91/52/16/508915216.db2.gz CUCLEHYLMREZLT-AWEZNQCLSA-N 1 0 359.445 2.909 20 70 FFIDRO CC[C@H](C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)[NH+](C)C ZINC000159982969 508920895 /nfs/dbraw/zinc/92/08/95/508920895.db2.gz RKVMEPMPESFNIZ-GDBMZVCRSA-N 1 0 360.433 2.922 20 70 FFIDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159999813 508923737 /nfs/dbraw/zinc/92/37/37/508923737.db2.gz VRDVQQCAYVAGSG-BDJLRTHQSA-N 1 0 357.472 2.849 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CCC(CO)CC1 ZINC000160006133 508924501 /nfs/dbraw/zinc/92/45/01/508924501.db2.gz NBWGBGLSXWXLLL-WQUXRXDGSA-N 1 0 359.514 2.699 20 70 FFIDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000160018121 508926051 /nfs/dbraw/zinc/92/60/51/508926051.db2.gz CGVKZBFMQQIKOT-WMZOPIPTSA-N 1 0 359.495 2.755 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000160019604 508926505 /nfs/dbraw/zinc/92/65/05/508926505.db2.gz TXHMXKMYFJNPDH-UHFFFAOYSA-N 1 0 372.469 2.642 20 70 FFIDRO Cc1ccccc1-c1nc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cs1 ZINC000160041782 508929153 /nfs/dbraw/zinc/92/91/53/508929153.db2.gz IZTBXMMFVLMMSR-OAHLLOKOSA-N 1 0 359.495 2.695 20 70 FFIDRO O=S(=O)(c1cccc2cnccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160115467 508940188 /nfs/dbraw/zinc/94/01/88/508940188.db2.gz PAQMVPHWWMQKDY-KRWDZBQOSA-N 1 0 359.495 2.874 20 70 FFIDRO O=S(=O)(c1cccc2ncccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160119735 508941483 /nfs/dbraw/zinc/94/14/83/508941483.db2.gz YIFDYNCPWGBAJF-INIZCTEOSA-N 1 0 359.495 2.874 20 70 FFIDRO O=S(=O)(c1c(F)cc(F)cc1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160129500 508942848 /nfs/dbraw/zinc/94/28/48/508942848.db2.gz ZHUKZDSJHFKOQK-ZDUSSCGKSA-N 1 0 362.417 2.743 20 70 FFIDRO C[C@H](CNC(=O)c1cccc(OC2CCCCC2)c1)N1CC[NH+](C)CC1 ZINC000160157744 508947917 /nfs/dbraw/zinc/94/79/17/508947917.db2.gz KGEAGRLGNJAKDK-QGZVFWFLSA-N 1 0 359.514 2.764 20 70 FFIDRO CCOc1ccc(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160166564 508948561 /nfs/dbraw/zinc/94/85/61/508948561.db2.gz SZEYFTBTIJQERY-NHCUHLMSSA-N 1 0 374.525 2.902 20 70 FFIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 ZINC000160181700 508950675 /nfs/dbraw/zinc/95/06/75/508950675.db2.gz BTOHYAGVIFOPHS-LBPRGKRZSA-N 1 0 365.275 2.574 20 70 FFIDRO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000160274191 508963414 /nfs/dbraw/zinc/96/34/14/508963414.db2.gz HJKZYYDAGSAWBZ-GBESFXJTSA-N 1 0 365.562 2.899 20 70 FFIDRO Cc1cccc(-n2cc(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)nn2)c1 ZINC000160275192 508964411 /nfs/dbraw/zinc/96/44/11/508964411.db2.gz PHLVGUSBILFFLD-KRWDZBQOSA-N 1 0 355.486 2.818 20 70 FFIDRO CCOc1ccc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160366651 508976649 /nfs/dbraw/zinc/97/66/49/508976649.db2.gz DDJZIOFUBFEMNQ-PMACEKPBSA-N 1 0 360.498 2.512 20 70 FFIDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000160385774 508979330 /nfs/dbraw/zinc/97/93/30/508979330.db2.gz BCTBOLIWJPRCBE-KRWDZBQOSA-N 1 0 367.478 2.896 20 70 FFIDRO CSc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1F ZINC000160386430 508979537 /nfs/dbraw/zinc/97/95/37/508979537.db2.gz QODQYBAGZXIWHX-ZDUSSCGKSA-N 1 0 353.507 2.751 20 70 FFIDRO C[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)N(C)C)CC2)c2ccsc2S1 ZINC000160386178 508979792 /nfs/dbraw/zinc/97/97/92/508979792.db2.gz VZUTXBPURGWEAN-WFASDCNBSA-N 1 0 353.557 2.816 20 70 FFIDRO O=C(CSc1ccc(F)cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160399900 508982038 /nfs/dbraw/zinc/98/20/38/508982038.db2.gz JNKRGGLYSFGDII-QZTJIDSGSA-N 1 0 366.502 2.802 20 70 FFIDRO COc1ccc([C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)c2ccccc2Cl)cc1 ZINC000160419873 508984222 /nfs/dbraw/zinc/98/42/22/508984222.db2.gz UUQRYGKOFXGWOB-OXJNMPFZSA-N 1 0 374.868 2.933 20 70 FFIDRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160521928 508997909 /nfs/dbraw/zinc/99/79/09/508997909.db2.gz URNXQCNEAOCLNO-FUHWJXTLSA-N 1 0 362.514 2.714 20 70 FFIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1csc(-c2ccco2)n1 ZINC000160517621 508998096 /nfs/dbraw/zinc/99/80/96/508998096.db2.gz KPQHSLXVBFGVFK-MRXNPFEDSA-N 1 0 363.483 2.813 20 70 FFIDRO Cc1cc2ccccc2n1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160531983 508999419 /nfs/dbraw/zinc/99/94/19/508999419.db2.gz MAZGVRTTYUAZRQ-RTWAWAEBSA-N 1 0 369.509 2.834 20 70 FFIDRO CC1CC[NH+](CCNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)CC1 ZINC000160554009 509001808 /nfs/dbraw/zinc/00/18/08/509001808.db2.gz WRMUTBCFXRJOGB-UHFFFAOYSA-N 1 0 359.514 2.924 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1coc(Br)c1 ZINC000160600518 509008460 /nfs/dbraw/zinc/00/84/60/509008460.db2.gz NDPWIKGAXSAZSU-UONOGXRCSA-N 1 0 371.275 2.540 20 70 FFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000160613097 509010120 /nfs/dbraw/zinc/01/01/20/509010120.db2.gz UCVMRZYFRHHFIF-ROUUACIJSA-N 1 0 371.481 2.789 20 70 FFIDRO O=C(NCc1ccccc1COc1ccccc1Cl)[C@@H]1C[NH2+]CCO1 ZINC000160616030 509010707 /nfs/dbraw/zinc/01/07/07/509010707.db2.gz DBWGPVHESMMULD-SFHVURJKSA-N 1 0 360.841 2.524 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000160616121 509010997 /nfs/dbraw/zinc/01/09/97/509010997.db2.gz CRGLNTMKHBIPAQ-KRWDZBQOSA-N 1 0 372.852 2.770 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1C(=O)c1cccs1 ZINC000160621100 509011743 /nfs/dbraw/zinc/01/17/43/509011743.db2.gz ZRYKVAUZGCQLFK-OAHLLOKOSA-N 1 0 372.490 2.556 20 70 FFIDRO O=C(C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)NCC(F)(F)F ZINC000160625834 509011804 /nfs/dbraw/zinc/01/18/04/509011804.db2.gz RAURMUMZWBNLDW-NSHDSACASA-N 1 0 356.266 2.841 20 70 FFIDRO O=C(COc1ccccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160650497 509014850 /nfs/dbraw/zinc/01/48/50/509014850.db2.gz QXXKFJUONGVMGI-DLBZAZTESA-N 1 0 366.889 2.603 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C(F)(F)F)nc1 ZINC000160653209 509014861 /nfs/dbraw/zinc/01/48/61/509014861.db2.gz YWSLYUCTKPJACA-CABCVRRESA-N 1 0 371.403 2.598 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000160657241 509015131 /nfs/dbraw/zinc/01/51/31/509015131.db2.gz PZSNWZSQGSOVQW-IRXDYDNUSA-N 1 0 373.541 2.852 20 70 FFIDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(F)cc1F ZINC000160687687 509020538 /nfs/dbraw/zinc/02/05/38/509020538.db2.gz UXIQLASRBVSJIC-ROUUACIJSA-N 1 0 352.425 2.771 20 70 FFIDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000160706466 509022782 /nfs/dbraw/zinc/02/27/82/509022782.db2.gz JHBUJLVALWDYGV-ZWKOTPCHSA-N 1 0 373.403 2.773 20 70 FFIDRO Cc1cc(C)cc(CCC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000160750716 509028432 /nfs/dbraw/zinc/02/84/32/509028432.db2.gz DGCDOMMBMRJFNT-YADHBBJMSA-N 1 0 366.505 2.988 20 70 FFIDRO O=C(/C=C/c1ccc2c(c1)CCO2)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160751383 509028783 /nfs/dbraw/zinc/02/87/83/509028783.db2.gz OMESKTTWZNWTJA-LVHMURGSSA-N 1 0 370.493 2.519 20 70 FFIDRO CC1CC[NH+]([C@@H](CNC(=O)c2cccc(=O)n2C)c2ccccc2)CC1 ZINC000160775268 509031062 /nfs/dbraw/zinc/03/10/62/509031062.db2.gz KOTBQYLYXLFFQM-IBGZPJMESA-N 1 0 353.466 2.588 20 70 FFIDRO CCc1ccc(C(=O)Nc2sccc2C(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000160790488 509033127 /nfs/dbraw/zinc/03/31/27/509033127.db2.gz BNVBSQKAHGWOGN-HNNXBMFYSA-N 1 0 357.479 2.997 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000160809122 509035314 /nfs/dbraw/zinc/03/53/14/509035314.db2.gz HHXMEEJZXSWPSS-HNAYVOBHSA-N 1 0 362.495 2.759 20 70 FFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000160853389 509040139 /nfs/dbraw/zinc/04/01/39/509040139.db2.gz HIMCPYZDKZVAMC-LJQANCHMSA-N 1 0 356.514 2.531 20 70 FFIDRO CC(C)(C)C1CCC(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000160860004 509040955 /nfs/dbraw/zinc/04/09/55/509040955.db2.gz VFYSCJDJQBYXTL-ADKAHSJRSA-N 1 0 365.562 2.933 20 70 FFIDRO CC(C)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000160879747 509042855 /nfs/dbraw/zinc/04/28/55/509042855.db2.gz XMNRJGOBBJCJBD-WCQYABFASA-N 1 0 363.239 2.665 20 70 FFIDRO Cc1c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cnn1C1CCOCC1 ZINC000160884346 509043854 /nfs/dbraw/zinc/04/38/54/509043854.db2.gz DCJHZEJXWFIHAT-UHFFFAOYSA-N 1 0 362.518 2.735 20 70 FFIDRO CSCC[C@H]([NH3+])C(=O)NCCCc1ccc(Br)cc1F ZINC000160885172 509043919 /nfs/dbraw/zinc/04/39/19/509043919.db2.gz OGXQJSAPMRELFF-ZDUSSCGKSA-N 1 0 363.296 2.717 20 70 FFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000160902318 509045622 /nfs/dbraw/zinc/04/56/22/509045622.db2.gz QNNZBZOWNUJBFH-LPHOPBHVSA-N 1 0 361.486 2.987 20 70 FFIDRO C[C@@H](CC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1F ZINC000160911033 509047145 /nfs/dbraw/zinc/04/71/45/509047145.db2.gz LKSJNBAAUZCYTF-AWEZNQCLSA-N 1 0 353.457 2.601 20 70 FFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cn(-c3cccc(C)c3)nn2)c1 ZINC000160924523 509048752 /nfs/dbraw/zinc/04/87/52/509048752.db2.gz ALONSUXEQGVWAO-UHFFFAOYSA-N 1 0 363.465 2.957 20 70 FFIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000160955633 509052346 /nfs/dbraw/zinc/05/23/46/509052346.db2.gz JFFSKBTWCKPFSK-CQSZACIVSA-N 1 0 355.438 2.621 20 70 FFIDRO CCN(C(=O)NCc1cnn(C)c1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160999358 509058871 /nfs/dbraw/zinc/05/88/71/509058871.db2.gz SOBPKETXRUTVRS-IBGZPJMESA-N 1 0 355.486 2.535 20 70 FFIDRO CCOC[C@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161037752 509062884 /nfs/dbraw/zinc/06/28/84/509062884.db2.gz HLJHDTAIJBRPIM-ZDUSSCGKSA-N 1 0 357.292 2.812 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)NOCc1cccnc1)Cc1ccccc1 ZINC000161072241 509067218 /nfs/dbraw/zinc/06/72/18/509067218.db2.gz RWYZFSFAZVQNKD-LJQANCHMSA-N 1 0 356.470 2.766 20 70 FFIDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CC1 ZINC000161088996 509069681 /nfs/dbraw/zinc/06/96/81/509069681.db2.gz OHZGQRNJXXBWLS-UHFFFAOYSA-N 1 0 366.893 2.847 20 70 FFIDRO COc1ccc(COCCC[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000161097266 509071353 /nfs/dbraw/zinc/07/13/53/509071353.db2.gz XSONWPVMNPCTHG-INIZCTEOSA-N 1 0 367.453 2.928 20 70 FFIDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(OC)c(N)c3)cc2)CC1 ZINC000161189438 509083765 /nfs/dbraw/zinc/08/37/65/509083765.db2.gz YDXULVSGJDHVKX-UHFFFAOYSA-N 1 0 354.454 2.672 20 70 FFIDRO Cc1ccc(NC(=O)[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc2)cc1 ZINC000161206122 509085991 /nfs/dbraw/zinc/08/59/91/509085991.db2.gz HSZIWHOSTDUGBS-QUCCMNQESA-N 1 0 351.450 2.885 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@]2(C)CCCC[C@@H]2O)CC1 ZINC000161209558 509086436 /nfs/dbraw/zinc/08/64/36/509086436.db2.gz NEKAEWLNESJCFZ-LKUPVBHCSA-N 1 0 374.529 2.847 20 70 FFIDRO C[C@@H](C(=O)NCc1ccccc1Cl)N1CCN(Cc2ccncc2)CC1 ZINC000161224728 509087871 /nfs/dbraw/zinc/08/78/71/509087871.db2.gz NNEHCLIRSLKABU-INIZCTEOSA-N 1 0 372.900 2.558 20 70 FFIDRO COc1ccc([C@H](C[NH2+]C2CCC3(CC2)OCCO3)N(C)C)cc1OC ZINC000161224232 509088069 /nfs/dbraw/zinc/08/80/69/509088069.db2.gz DRYWACYNXSYMQG-KRWDZBQOSA-N 1 0 364.486 2.582 20 70 FFIDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000161230387 509089555 /nfs/dbraw/zinc/08/95/55/509089555.db2.gz DKKVPRIHXRXVFA-UHFFFAOYSA-N 1 0 354.501 2.813 20 70 FFIDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000161242053 509090796 /nfs/dbraw/zinc/09/07/96/509090796.db2.gz CKUGKZMBMRLSGL-KRWDZBQOSA-N 1 0 367.515 2.578 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000161277899 509095825 /nfs/dbraw/zinc/09/58/25/509095825.db2.gz YCDUZSZFAPDPBJ-INIZCTEOSA-N 1 0 357.479 2.502 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000161280163 509096617 /nfs/dbraw/zinc/09/66/17/509096617.db2.gz VPZOPFYYWKGBQS-QGZVFWFLSA-N 1 0 360.889 2.895 20 70 FFIDRO CNC(=O)C1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000161311542 509100839 /nfs/dbraw/zinc/10/08/39/509100839.db2.gz IOHHDUAJUZRJQJ-UHFFFAOYSA-N 1 0 362.271 2.955 20 70 FFIDRO CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000161331230 509102718 /nfs/dbraw/zinc/10/27/18/509102718.db2.gz OUQLJCSEMJMSTG-GOSISDBHSA-N 1 0 367.449 2.838 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000161359738 509107085 /nfs/dbraw/zinc/10/70/85/509107085.db2.gz JQVHILTZYJVGND-AWEZNQCLSA-N 1 0 352.360 2.715 20 70 FFIDRO Cc1ccc(C(=O)N2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000161417420 509113742 /nfs/dbraw/zinc/11/37/42/509113742.db2.gz RDLXYAXXTBJPLT-UHFFFAOYSA-N 1 0 358.482 2.875 20 70 FFIDRO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161430130 509115055 /nfs/dbraw/zinc/11/50/55/509115055.db2.gz KJJZZQNIVBEPKJ-WBVHZDCISA-N 1 0 361.404 2.678 20 70 FFIDRO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000161430475 509115120 /nfs/dbraw/zinc/11/51/20/509115120.db2.gz CUVHJRVQUXFHAT-FUHWJXTLSA-N 1 0 361.413 2.891 20 70 FFIDRO C[C@@H](CCNC(=O)Nc1cccc(-c2ncn(C)n2)c1)[NH+]1CCCCC1 ZINC000161472926 509119512 /nfs/dbraw/zinc/11/95/12/509119512.db2.gz OVYKHNVKLCSKKK-HNNXBMFYSA-N 1 0 356.474 2.868 20 70 FFIDRO C[C@H](Oc1cccc(CO)c1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000161472590 509119590 /nfs/dbraw/zinc/11/95/90/509119590.db2.gz NVAKZMURFWJSOV-KRWDZBQOSA-N 1 0 368.477 2.511 20 70 FFIDRO O=C(c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)N1CC[NH2+]CC1 ZINC000159364843 508831860 /nfs/dbraw/zinc/83/18/60/508831860.db2.gz XHYHCIQTURYYAW-UHFFFAOYSA-N 1 0 365.264 2.713 20 70 FFIDRO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159411942 508838409 /nfs/dbraw/zinc/83/84/09/508838409.db2.gz YVZLUQKMVWHVIR-CRAIPNDOSA-N 1 0 368.481 2.817 20 70 FFIDRO C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000159426831 508840569 /nfs/dbraw/zinc/84/05/69/508840569.db2.gz OKOBNAPFCWIUKU-SCLBCKFNSA-N 1 0 357.433 2.565 20 70 FFIDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c2cccnc12 ZINC000159425535 508840869 /nfs/dbraw/zinc/84/08/69/508840869.db2.gz WIFQXKNEROZDBP-INIZCTEOSA-N 1 0 368.481 2.576 20 70 FFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159446620 508843275 /nfs/dbraw/zinc/84/32/75/508843275.db2.gz AMBLULKLODAZSO-ICSRJNTNSA-N 1 0 360.546 2.879 20 70 FFIDRO COCCNc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000159485594 508848489 /nfs/dbraw/zinc/84/84/89/508848489.db2.gz OAISDDROARXJQP-HXUWFJFHSA-N 1 0 374.529 2.905 20 70 FFIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000159484452 508848587 /nfs/dbraw/zinc/84/85/87/508848587.db2.gz YZSCPUBKVLOULD-IYBDPMFKSA-N 1 0 357.498 2.677 20 70 FFIDRO O=C(Cc1ccc(Br)c(F)c1)N1CC[NH+](CC2CC2)CC1 ZINC000159526875 508852869 /nfs/dbraw/zinc/85/28/69/508852869.db2.gz FHQAYTXPEKJVDT-UHFFFAOYSA-N 1 0 355.251 2.685 20 70 FFIDRO Cc1c([C@H](C)[NH2+]CCCN2CCCC2=O)nnn1-c1ccc(Cl)cc1 ZINC000159534127 508854625 /nfs/dbraw/zinc/85/46/25/508854625.db2.gz RVGUXNBHXNVLOL-ZDUSSCGKSA-N 1 0 361.877 2.892 20 70 FFIDRO C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000159545786 508856223 /nfs/dbraw/zinc/85/62/23/508856223.db2.gz XLTOFCBQYHVQSH-DOTOQJQBSA-N 1 0 361.486 2.710 20 70 FFIDRO CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000159662955 508873111 /nfs/dbraw/zinc/87/31/11/508873111.db2.gz FWRINLAZTRHKQK-RBUKOAKNSA-N 1 0 372.513 2.522 20 70 FFIDRO Cc1nc2ccccn2c1C[NH+]1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000159666890 508873885 /nfs/dbraw/zinc/87/38/85/508873885.db2.gz XKKSBODVXVPZTG-UHFFFAOYSA-N 1 0 372.513 2.786 20 70 FFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(CN2CCCC2=O)cc1 ZINC000159688533 508875663 /nfs/dbraw/zinc/87/56/63/508875663.db2.gz HMDLTHABJBQITM-UHFFFAOYSA-N 1 0 357.498 2.851 20 70 FFIDRO CCCS(=O)(=O)c1ccccc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159689137 508875933 /nfs/dbraw/zinc/87/59/33/508875933.db2.gz BAKZKZASODORGB-UHFFFAOYSA-N 1 0 366.527 2.913 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000159690582 508875837 /nfs/dbraw/zinc/87/58/37/508875837.db2.gz LLERXOOSGPFYST-HNNXBMFYSA-N 1 0 373.501 2.769 20 70 FFIDRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159752408 508884889 /nfs/dbraw/zinc/88/48/89/508884889.db2.gz IKNCDZNMEQVBES-MRXNPFEDSA-N 1 0 354.516 2.622 20 70 FFIDRO Cn1cc(C[NH+]2CCC(CC(N)=O)CC2)c(-c2cc3ccccc3o2)n1 ZINC000159802664 508892888 /nfs/dbraw/zinc/89/28/88/508892888.db2.gz QXUYVEWVSCFNIA-UHFFFAOYSA-N 1 0 352.438 2.921 20 70 FFIDRO CCCC[N@H+](C)CCNC(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000159807657 508893865 /nfs/dbraw/zinc/89/38/65/508893865.db2.gz MSKAKDJBNRHBLO-UHFFFAOYSA-N 1 0 374.529 2.570 20 70 FFIDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ncc(-c3ccccc3)s2)CC1 ZINC000159839739 508899337 /nfs/dbraw/zinc/89/93/37/508899337.db2.gz JGPYEPOPWGYBLC-UHFFFAOYSA-N 1 0 372.538 2.796 20 70 FFIDRO CCN(C(=O)NCc1cccc(OC)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159850819 508900460 /nfs/dbraw/zinc/90/04/60/508900460.db2.gz BSXLOURLJXHNSA-IBGZPJMESA-N 1 0 368.481 2.896 20 70 FFIDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000159855874 508901670 /nfs/dbraw/zinc/90/16/70/508901670.db2.gz OBQIGJHPLHONKO-CVEARBPZSA-N 1 0 367.852 2.575 20 70 FFIDRO C[C@@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(-n2ccnn2)cc1 ZINC000159862751 508902589 /nfs/dbraw/zinc/90/25/89/508902589.db2.gz QXQQQIHAGSXLDU-ZIAGYGMSSA-N 1 0 360.421 2.916 20 70 FFIDRO CC(C)[C@@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000159864307 508902703 /nfs/dbraw/zinc/90/27/03/508902703.db2.gz NJVKKZQUMFHXJP-XDNAFOTISA-N 1 0 352.519 2.728 20 70 FFIDRO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000159882783 508906072 /nfs/dbraw/zinc/90/60/72/508906072.db2.gz WKWSGUHLSVQBKL-CVEARBPZSA-N 1 0 353.470 2.529 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)c1ccc(-n2ccnn2)cc1 ZINC000159901235 508908606 /nfs/dbraw/zinc/90/86/06/508908606.db2.gz KRHGHDFOKHAATG-CABCVRRESA-N 1 0 369.494 2.727 20 70 FFIDRO C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@H](O)C[NH+]4CCCCC4)cc3c2C1 ZINC000159928582 508912525 /nfs/dbraw/zinc/91/25/25/508912525.db2.gz HDRQUWMNQQKZMN-WBVHZDCISA-N 1 0 369.509 2.869 20 70 FFIDRO C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@H](O)C[NH+]4CCCCC4)cc3c2C1 ZINC000159928705 508912745 /nfs/dbraw/zinc/91/27/45/508912745.db2.gz HDRQUWMNQQKZMN-RDJZCZTQSA-N 1 0 369.509 2.869 20 70 FFIDRO COc1cccc(S(=O)(=O)CCN(CCc2nccs2)C(C)C)c1 ZINC000159941412 508915280 /nfs/dbraw/zinc/91/52/80/508915280.db2.gz HHZJKLCXVLJEOQ-UHFFFAOYSA-N 1 0 368.524 2.879 20 70 FFIDRO CC1CC[NH+](CCCCNC(=O)CCc2nc(-c3ccoc3)no2)CC1 ZINC000159948052 508915827 /nfs/dbraw/zinc/91/58/27/508915827.db2.gz KJVFWRSIYXENLB-UHFFFAOYSA-N 1 0 360.458 2.891 20 70 FFIDRO CC[C@@H](C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)[NH+](C)C ZINC000159984480 508920699 /nfs/dbraw/zinc/92/06/99/508920699.db2.gz PGJRQIUKGSVAEJ-HOCLYGCPSA-N 1 0 360.433 2.922 20 70 FFIDRO CC1CC[NH+](CCCNC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CC1 ZINC000160070412 508934062 /nfs/dbraw/zinc/93/40/62/508934062.db2.gz YGAONEOKMIHRSE-UHFFFAOYSA-N 1 0 360.502 2.693 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C[N@@H+]1Cc1ccccc1 ZINC000160079543 508936049 /nfs/dbraw/zinc/93/60/49/508936049.db2.gz KEWKOVUZFBCNCV-DPDLHNOKSA-N 1 0 365.477 2.607 20 70 FFIDRO CSC[C@H](CCO)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000160155754 508946803 /nfs/dbraw/zinc/94/68/03/508946803.db2.gz CZIGVTLBDUFLBN-AWEZNQCLSA-N 1 0 356.919 2.648 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1Cl ZINC000160183673 508950789 /nfs/dbraw/zinc/95/07/89/508950789.db2.gz OYXGKPOQIIBBTR-IRXDYDNUSA-N 1 0 354.853 2.977 20 70 FFIDRO O=C(CCCOCc1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160200702 508953633 /nfs/dbraw/zinc/95/36/33/508953633.db2.gz GVECQACERASDRA-LEWJYISDSA-N 1 0 374.525 2.868 20 70 FFIDRO CCOC(=O)C1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160216900 508955990 /nfs/dbraw/zinc/95/59/90/508955990.db2.gz CYSKIZVAOMLZDJ-LPHOPBHVSA-N 1 0 373.497 2.634 20 70 FFIDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)Cc1c(F)cccc1F ZINC000160219079 508956122 /nfs/dbraw/zinc/95/61/22/508956122.db2.gz DBNWEFBBZWJRCP-UHFFFAOYSA-N 1 0 368.449 2.858 20 70 FFIDRO O=C(Cc1c[nH]c2ccccc12)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160238120 508958461 /nfs/dbraw/zinc/95/84/61/508958461.db2.gz JZMHWGXEMBKBOU-WOJBJXKFSA-N 1 0 355.482 2.595 20 70 FFIDRO Cc1cccc(C)c1OCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160244191 508959081 /nfs/dbraw/zinc/95/90/81/508959081.db2.gz FDLRXFZERROYDD-UXHICEINSA-N 1 0 374.525 2.956 20 70 FFIDRO Cc1cccc(C)c1OCCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160244582 508959160 /nfs/dbraw/zinc/95/91/60/508959160.db2.gz FDLRXFZERROYDD-VQTJNVASSA-N 1 0 374.525 2.956 20 70 FFIDRO COC1(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)CC[NH2+]CC1 ZINC000160283889 508964555 /nfs/dbraw/zinc/96/45/55/508964555.db2.gz MUMAYTFXOGYOGS-UHFFFAOYSA-N 1 0 362.470 2.508 20 70 FFIDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])nn1-c1ccc(Br)cc1 ZINC000160332279 508971774 /nfs/dbraw/zinc/97/17/74/508971774.db2.gz YXBBCSNTLYKOJO-CQSZACIVSA-N 1 0 363.259 2.507 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccnc2ccccc21 ZINC000160336691 508972692 /nfs/dbraw/zinc/97/26/92/508972692.db2.gz HIPKSSYAORCGFN-VQTJNVASSA-N 1 0 353.466 2.733 20 70 FFIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCN(CC(F)F)CC1 ZINC000160358315 508975351 /nfs/dbraw/zinc/97/53/51/508975351.db2.gz ONIWPTUWKFLBDS-INIZCTEOSA-N 1 0 360.493 2.623 20 70 FFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000160368864 508976919 /nfs/dbraw/zinc/97/69/19/508976919.db2.gz KLUXXMQOGSPVTM-INIZCTEOSA-N 1 0 359.514 2.953 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Cc1ccccc1 ZINC000160375901 508977703 /nfs/dbraw/zinc/97/77/03/508977703.db2.gz YBKMYTLEXFWNPI-HXUWFJFHSA-N 1 0 352.478 2.854 20 70 FFIDRO CNC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000160393609 508980331 /nfs/dbraw/zinc/98/03/31/508980331.db2.gz IISHSGXDRHEDSW-HNAYVOBHSA-N 1 0 366.465 2.831 20 70 FFIDRO COc1ccc([C@H](NC(=O)[C@H]2C[NH2+]CCO2)c2ccccc2Cl)cc1 ZINC000160420270 508984569 /nfs/dbraw/zinc/98/45/69/508984569.db2.gz WUMABOHMSNNZNI-MSOLQXFVSA-N 1 0 360.841 2.543 20 70 FFIDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(F)cc1OC(F)F ZINC000160438185 508986787 /nfs/dbraw/zinc/98/67/87/508986787.db2.gz AQQCFXBRRQJNTQ-GFCCVEGCSA-N 1 0 373.419 2.630 20 70 FFIDRO COC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc(C(F)(F)F)c1 ZINC000160467382 508991763 /nfs/dbraw/zinc/99/17/63/508991763.db2.gz QYEPSXNZVWKCQT-HUUCEWRRSA-N 1 0 354.376 2.897 20 70 FFIDRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160521814 508998220 /nfs/dbraw/zinc/99/82/20/508998220.db2.gz URNXQCNEAOCLNO-AEFFLSMTSA-N 1 0 362.514 2.714 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1coc(Br)c1 ZINC000160600386 509008214 /nfs/dbraw/zinc/00/82/14/509008214.db2.gz NDPWIKGAXSAZSU-ZIAGYGMSSA-N 1 0 371.275 2.540 20 70 FFIDRO Cc1nc(C2CCCC2)sc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160609453 509009985 /nfs/dbraw/zinc/00/99/85/509009985.db2.gz QKZAAOJLAMZZLK-OAHLLOKOSA-N 1 0 351.516 2.686 20 70 FFIDRO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160621338 509011784 /nfs/dbraw/zinc/01/17/84/509011784.db2.gz NQAYLUGOLKUHGK-MRXNPFEDSA-N 1 0 359.495 2.695 20 70 FFIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000160646456 509014015 /nfs/dbraw/zinc/01/40/15/509014015.db2.gz ATPMWVJGWWEHMA-IYBDPMFKSA-N 1 0 355.486 2.960 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C(F)(F)F)nc1 ZINC000160653339 509014858 /nfs/dbraw/zinc/01/48/58/509014858.db2.gz YWSLYUCTKPJACA-GJZGRUSLSA-N 1 0 371.403 2.598 20 70 FFIDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160661359 509016203 /nfs/dbraw/zinc/01/62/03/509016203.db2.gz RHWBOSWTSIQBKX-UONOGXRCSA-N 1 0 353.488 2.684 20 70 FFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160669279 509017376 /nfs/dbraw/zinc/01/73/76/509017376.db2.gz UDBNWRNCGUAMTH-HNNXBMFYSA-N 1 0 354.454 2.534 20 70 FFIDRO CC[N@H+](C)C[C@@H]1CCN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000160680127 509019502 /nfs/dbraw/zinc/01/95/02/509019502.db2.gz ZNNSCKYXPBUVRV-SUMWQHHRSA-N 1 0 353.869 2.858 20 70 FFIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1sccc1Br ZINC000160685842 509019987 /nfs/dbraw/zinc/01/99/87/509019987.db2.gz ODWDCMMVXYRRID-BCQZVRRWSA-N 1 0 373.316 2.659 20 70 FFIDRO Cc1[nH]c2ccccc2c1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160685668 509020285 /nfs/dbraw/zinc/02/02/85/509020285.db2.gz MXIQDABWLLJZDJ-NHCUHLMSSA-N 1 0 369.509 2.903 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000160692069 509021107 /nfs/dbraw/zinc/02/11/07/509021107.db2.gz SSQKDNQKOKZSEA-QGZVFWFLSA-N 1 0 374.529 2.999 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000160707924 509023260 /nfs/dbraw/zinc/02/32/60/509023260.db2.gz VRKJUMBLFFQZEE-QGZVFWFLSA-N 1 0 370.449 2.717 20 70 FFIDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1F ZINC000160713599 509023291 /nfs/dbraw/zinc/02/32/91/509023291.db2.gz XEXZHCDBBUHHMN-KRWDZBQOSA-N 1 0 354.422 2.984 20 70 FFIDRO Cc1ccc2c(c1)[C@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)CO2 ZINC000160732723 509026117 /nfs/dbraw/zinc/02/61/17/509026117.db2.gz MNRYHDGSUOFZGZ-IEBWSBKVSA-N 1 0 353.466 2.901 20 70 FFIDRO CCN(C(=O)N[C@@H]1CCc2n[nH]cc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160781862 509032391 /nfs/dbraw/zinc/03/23/91/509032391.db2.gz PDZITXPUKUILLD-MOPGFXCFSA-N 1 0 367.497 2.573 20 70 FFIDRO Cn1cc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(C(F)(F)F)n1 ZINC000160805010 509034725 /nfs/dbraw/zinc/03/47/25/509034725.db2.gz HQIVBEVEDMFRMU-AWEZNQCLSA-N 1 0 373.423 2.599 20 70 FFIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000160814944 509036166 /nfs/dbraw/zinc/03/61/66/509036166.db2.gz MSZZJEYNQQQRAT-BBWFWOEESA-N 1 0 351.491 2.853 20 70 FFIDRO COc1cc(CN(C)Cc2ccc(C)o2)cc(Cl)c1OCC(N)=O ZINC000160851777 509040056 /nfs/dbraw/zinc/04/00/56/509040056.db2.gz IYSUIKOIRJXQNO-UHFFFAOYSA-N 1 0 352.818 2.746 20 70 FFIDRO C[NH+](C)CC[C@@H](NC(=O)NCCOc1ncccc1Cl)C(C)(C)C ZINC000160902767 509045539 /nfs/dbraw/zinc/04/55/39/509045539.db2.gz GWPVTQSGWCEKPC-CQSZACIVSA-N 1 0 356.898 2.779 20 70 FFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000160902444 509045720 /nfs/dbraw/zinc/04/57/20/509045720.db2.gz QNNZBZOWNUJBFH-QFBILLFUSA-N 1 0 361.486 2.987 20 70 FFIDRO CCC[NH+]1CCC(NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000160924572 509048697 /nfs/dbraw/zinc/04/86/97/509048697.db2.gz ZJHBVKRYLXMMHC-HDICACEKSA-N 1 0 373.541 2.900 20 70 FFIDRO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160949452 509051714 /nfs/dbraw/zinc/05/17/14/509051714.db2.gz FAVHAUKLYGCTRS-RADWXHQJSA-N 1 0 369.509 2.842 20 70 FFIDRO CC(C)[NH+]1CCC(NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000160952349 509052585 /nfs/dbraw/zinc/05/25/85/509052585.db2.gz CMELFLITUZUDFB-ROUUACIJSA-N 1 0 373.541 2.898 20 70 FFIDRO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc(OC)c1O ZINC000160977014 509055668 /nfs/dbraw/zinc/05/56/68/509055668.db2.gz GHSOSQASBBSSPK-GFCCVEGCSA-N 1 0 350.440 2.504 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](CCCO)CC(C)(C)C)c2c1 ZINC000160992888 509058019 /nfs/dbraw/zinc/05/80/19/509058019.db2.gz YXDMHTUZBCUBSX-UHFFFAOYSA-N 1 0 360.454 2.868 20 70 FFIDRO O=C(c1ccccc1F)N1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161023251 509060989 /nfs/dbraw/zinc/06/09/89/509060989.db2.gz MIZJMUWNAJOASA-UHFFFAOYSA-N 1 0 362.445 2.706 20 70 FFIDRO C[C@H](CNC(=O)NCCNc1ccc2ccccc2n1)C[NH+]1CCCC1 ZINC000161162357 509079382 /nfs/dbraw/zinc/07/93/82/509079382.db2.gz SPUMUSUPKXIVHD-MRXNPFEDSA-N 1 0 355.486 2.678 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCCN(CC(F)F)CC1)c1ccco1 ZINC000161212805 509086572 /nfs/dbraw/zinc/08/65/72/509086572.db2.gz SZQQASSYMCNRMB-HNNXBMFYSA-N 1 0 372.460 2.645 20 70 FFIDRO CC(C)CCn1ccc(NC(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000161224679 509088080 /nfs/dbraw/zinc/08/80/80/509088080.db2.gz YFZSPZUGTUKTQP-IYBDPMFKSA-N 1 0 365.522 2.939 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000161228456 509088791 /nfs/dbraw/zinc/08/87/91/509088791.db2.gz VCZWOZDZUVYLMJ-SFHVURJKSA-N 1 0 362.518 2.853 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 ZINC000161233019 509089617 /nfs/dbraw/zinc/08/96/17/509089617.db2.gz LMINVQQOUGYYSP-UHFFFAOYSA-N 1 0 355.866 2.511 20 70 FFIDRO COc1cc(OC)cc([C@@H](NC(=O)C2=C(C)OCCC2)c2nccn2C)c1 ZINC000161402358 509111322 /nfs/dbraw/zinc/11/13/22/509111322.db2.gz QDOIDLVGEXNAMN-GOSISDBHSA-N 1 0 371.437 2.727 20 70 FFIDRO COc1cc(OC)cc([C@H](NC(=O)C2=C(C)OCCC2)c2nccn2C)c1 ZINC000161402213 509111593 /nfs/dbraw/zinc/11/15/93/509111593.db2.gz QDOIDLVGEXNAMN-SFHVURJKSA-N 1 0 371.437 2.727 20 70 FFIDRO CN(C(=O)CCNC(=O)c1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161449552 509116143 /nfs/dbraw/zinc/11/61/43/509116143.db2.gz FXFXLAOFNKOZGY-YOFSQIOKSA-N 1 0 365.477 2.701 20 70 FFIDRO Cc1nnc(-c2ccccc2C(=O)NCC[N@@H+](C)Cc2ccccc2)o1 ZINC000161454548 509117511 /nfs/dbraw/zinc/11/75/11/509117511.db2.gz VJHLJTDRWJHRSS-UHFFFAOYSA-N 1 0 350.422 2.907 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3OC)c1 ZINC000161454437 509117522 /nfs/dbraw/zinc/11/75/22/509117522.db2.gz MMSHXETXNPRDCK-ACJLOTCBSA-N 1 0 360.479 2.941 20 70 FFIDRO CC(=O)NC1CCC([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1 ZINC000161497565 509122240 /nfs/dbraw/zinc/12/22/40/509122240.db2.gz SCIRJFVCTGALRZ-UYSNPLJNSA-N 1 0 367.440 2.904 20 70 FFIDRO COC(=O)c1ccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000161507223 509123500 /nfs/dbraw/zinc/12/35/00/509123500.db2.gz RDLIZONTRHXCLK-UHFFFAOYSA-N 1 0 359.470 2.641 20 70 FFIDRO COc1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Br)c1O ZINC000217645012 509272081 /nfs/dbraw/zinc/27/20/81/509272081.db2.gz UJJQVRNMFLPMRH-KBPBESRZSA-N 1 0 355.276 2.880 20 70 FFIDRO C[C@@H](CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000159368721 508831655 /nfs/dbraw/zinc/83/16/55/508831655.db2.gz VLSGYITYURPSNV-HRAATJIYSA-N 1 0 370.468 2.855 20 70 FFIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000159398153 508836687 /nfs/dbraw/zinc/83/66/87/508836687.db2.gz ZKWOKRYBLRNLMA-MRXNPFEDSA-N 1 0 356.297 2.908 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C1 ZINC000159401909 508837634 /nfs/dbraw/zinc/83/76/34/508837634.db2.gz ITVVLRIDOAJAFE-NSHDSACASA-N 1 0 373.831 2.651 20 70 FFIDRO CCN(C(=O)NCc1ccnc(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159468621 508846006 /nfs/dbraw/zinc/84/60/06/508846006.db2.gz UPFWKGSKMVEHCZ-LJQANCHMSA-N 1 0 353.470 2.591 20 70 FFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 ZINC000159471319 508846732 /nfs/dbraw/zinc/84/67/32/508846732.db2.gz LOYYWSNJGYWWLV-UHFFFAOYSA-N 1 0 360.380 2.636 20 70 FFIDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3cccc(=O)n3C)cc2)C1 ZINC000159536676 508854478 /nfs/dbraw/zinc/85/44/78/508854478.db2.gz GGUYEKOFJQMXOL-CALCHBBNSA-N 1 0 367.493 2.793 20 70 FFIDRO COc1cc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000159538183 508854880 /nfs/dbraw/zinc/85/48/80/508854880.db2.gz ODKHSZARLFJTJN-QAPCUYQASA-N 1 0 369.465 2.721 20 70 FFIDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1cscn1 ZINC000159540455 508855316 /nfs/dbraw/zinc/85/53/16/508855316.db2.gz KWPIERJVQVCUNR-QGZVFWFLSA-N 1 0 358.511 2.849 20 70 FFIDRO CC(C)CCn1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000159570685 508860373 /nfs/dbraw/zinc/86/03/73/508860373.db2.gz PWMRVSZMZOUEOO-QGZVFWFLSA-N 1 0 363.506 2.505 20 70 FFIDRO CCC(CC)[C@H](CNC(=O)C[C@H](C)c1c(C)n[nH]c1C)[NH+]1CCOCC1 ZINC000159580401 508861579 /nfs/dbraw/zinc/86/15/79/508861579.db2.gz DCPYHOPGRBDEEV-KSSFIOAISA-N 1 0 364.534 2.773 20 70 FFIDRO CCC(=O)N1CC[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000159581086 508861736 /nfs/dbraw/zinc/86/17/36/508861736.db2.gz LHLVCBCXBCTISP-WOJBJXKFSA-N 1 0 371.525 2.834 20 70 FFIDRO C[N@@H+](CC(=O)NCc1ccccc1OC1CCCC1)C[C@H]1CCC[C@@H]1O ZINC000159579576 508861746 /nfs/dbraw/zinc/86/17/46/508861746.db2.gz FOMVTTWAFDSDBQ-MJGOQNOKSA-N 1 0 360.498 2.717 20 70 FFIDRO C[N@H+](CCCNC(=O)CCNC(=O)C1CCCCC1)C1CCCCC1 ZINC000159599301 508863736 /nfs/dbraw/zinc/86/37/36/508863736.db2.gz VBKTUQZAIBUOOJ-UHFFFAOYSA-N 1 0 351.535 2.844 20 70 FFIDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccnc(-n2cccn2)c1 ZINC000159632095 508868686 /nfs/dbraw/zinc/86/86/86/508868686.db2.gz ZHXGAENDGFUXRN-UHFFFAOYSA-N 1 0 361.449 2.793 20 70 FFIDRO CC(C)[NH+](CCCNC(=O)Nc1ccnn1C[C@@H]1CCOC1)C(C)C ZINC000159678317 508874915 /nfs/dbraw/zinc/87/49/15/508874915.db2.gz HTUIHWQUMLEQBC-INIZCTEOSA-N 1 0 351.495 2.550 20 70 FFIDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccn(CCC(C)C)n3)CC2)c1 ZINC000159744028 508884365 /nfs/dbraw/zinc/88/43/65/508884365.db2.gz HEQOORLXHOHMJV-UHFFFAOYSA-N 1 0 372.473 2.687 20 70 FFIDRO CN(C)c1cccc(CN(C)CC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000159762385 508886471 /nfs/dbraw/zinc/88/64/71/508886471.db2.gz QEVSWRLPZNRBJO-UHFFFAOYSA-N 1 0 350.466 2.821 20 70 FFIDRO Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159772699 508888553 /nfs/dbraw/zinc/88/85/53/508888553.db2.gz LNQWQDGMIYEVDK-BETUJISGSA-N 1 0 359.451 2.868 20 70 FFIDRO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159793126 508892038 /nfs/dbraw/zinc/89/20/38/508892038.db2.gz IYWFNPGDCRZFCA-ZVZYQTTQSA-N 1 0 362.470 2.672 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)CCc1nc(-c2ccoc2)no1)C1CCCCC1 ZINC000159828343 508896728 /nfs/dbraw/zinc/89/67/28/508896728.db2.gz CIXYNFSGGWSJIS-INIZCTEOSA-N 1 0 360.458 2.889 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000159830617 508897826 /nfs/dbraw/zinc/89/78/26/508897826.db2.gz ORDQOIMWDCDZIC-QWHCGFSZSA-N 1 0 370.844 2.994 20 70 FFIDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)N1CCc2ccccc2C1 ZINC000159830937 508898062 /nfs/dbraw/zinc/89/80/62/508898062.db2.gz IYRNKFJDIZTVSU-IRXDYDNUSA-N 1 0 362.481 2.760 20 70 FFIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCC(C)CC2)cc1 ZINC000159855646 508900862 /nfs/dbraw/zinc/90/08/62/508900862.db2.gz HZXCGXZLGIFHDN-DLBZAZTESA-N 1 0 370.497 2.772 20 70 FFIDRO CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000159854132 508901081 /nfs/dbraw/zinc/90/10/81/508901081.db2.gz MKMKHAJZWCXODM-QGZVFWFLSA-N 1 0 352.500 2.856 20 70 FFIDRO COC(=O)[C@H]1CCCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000159865425 508902489 /nfs/dbraw/zinc/90/24/89/508902489.db2.gz JFGPPGKOACWGII-WBVHZDCISA-N 1 0 361.486 2.710 20 70 FFIDRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H](C)c2cccnc2)CC1 ZINC000159905614 508909082 /nfs/dbraw/zinc/90/90/82/508909082.db2.gz AGWLIDAXQMSMOI-KRWDZBQOSA-N 1 0 362.518 2.923 20 70 FFIDRO CCCCSCCC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000159914517 508911069 /nfs/dbraw/zinc/91/10/69/508911069.db2.gz VXRNMRVIJWCHDU-UHFFFAOYSA-N 1 0 363.571 2.974 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N(C)C)nc2)C[N@@H+]1Cc1ccccc1 ZINC000159963075 508918107 /nfs/dbraw/zinc/91/81/07/508918107.db2.gz JNSSFICMVIBDLU-CRAIPNDOSA-N 1 0 353.470 2.932 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000159986348 508920750 /nfs/dbraw/zinc/92/07/50/508920750.db2.gz OFINJJYFHPKXJU-KRWDZBQOSA-N 1 0 372.469 2.683 20 70 FFIDRO CC[C@H](Oc1ccccc1C(C)C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159993409 508921537 /nfs/dbraw/zinc/92/15/37/508921537.db2.gz CLDAOHRDXDGNLY-MJGOQNOKSA-N 1 0 362.514 2.930 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](c3cnn(C)c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160006007 508924431 /nfs/dbraw/zinc/92/44/31/508924431.db2.gz PRBZGGONEDGFGB-KPFFTGBYSA-N 1 0 367.497 2.582 20 70 FFIDRO COc1cc(CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1O ZINC000160010439 508925141 /nfs/dbraw/zinc/92/51/41/508925141.db2.gz XZRWWAWGFJAUCC-QGZVFWFLSA-N 1 0 361.486 2.603 20 70 FFIDRO CCC[NH+]1CCC(N(C)C(=O)NCCc2nnc(-c3ccccc3)o2)CC1 ZINC000160031516 508928081 /nfs/dbraw/zinc/92/80/81/508928081.db2.gz KEPLOMIWZHZBSK-UHFFFAOYSA-N 1 0 371.485 2.795 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1cccc(OC)c1 ZINC000160044752 508930085 /nfs/dbraw/zinc/93/00/85/508930085.db2.gz NOYZCVNTUCWTKR-UYAOXDASSA-N 1 0 363.502 2.635 20 70 FFIDRO O=C(CCNC(=O)C1CCCCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160061327 508932546 /nfs/dbraw/zinc/93/25/46/508932546.db2.gz BLLJIDJDXIXUGU-FQEVSTJZSA-N 1 0 371.525 2.854 20 70 FFIDRO CN(C)C(=O)c1ccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000160111020 508939405 /nfs/dbraw/zinc/93/94/05/508939405.db2.gz IMOFGQCLJHYLRN-UHFFFAOYSA-N 1 0 374.529 2.652 20 70 FFIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000160122814 508941423 /nfs/dbraw/zinc/94/14/23/508941423.db2.gz ZRCYXOYHTMDMPK-DLBZAZTESA-N 1 0 368.472 2.549 20 70 FFIDRO O=C(Cc1ccc(Br)c(F)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160134534 508943727 /nfs/dbraw/zinc/94/37/27/508943727.db2.gz SPKLYSOTWLQBQO-GFCCVEGCSA-N 1 0 355.251 2.731 20 70 FFIDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)nn1-c1ccc(F)cc1F ZINC000160144012 508945146 /nfs/dbraw/zinc/94/51/46/508945146.db2.gz VDFMGKZUAOQNNR-ZDUSSCGKSA-N 1 0 360.408 2.673 20 70 FFIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160208733 508954320 /nfs/dbraw/zinc/95/43/20/508954320.db2.gz LLZMOQXFCSTTAZ-KRWDZBQOSA-N 1 0 368.481 2.780 20 70 FFIDRO CC(=O)N[C@@H](CC(=O)NCC[NH+]1CCCCCC1)c1ccc(F)cc1F ZINC000160224092 508956525 /nfs/dbraw/zinc/95/65/25/508956525.db2.gz PMRAJIKVAJUYGB-SFHVURJKSA-N 1 0 367.440 2.524 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000160224355 508956757 /nfs/dbraw/zinc/95/67/57/508956757.db2.gz FZGSIFMXWJDTSQ-UHFFFAOYSA-N 1 0 359.514 2.907 20 70 FFIDRO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160279637 508963840 /nfs/dbraw/zinc/96/38/40/508963840.db2.gz FZZZVFTVRDBBTK-CQSZACIVSA-N 1 0 350.846 2.971 20 70 FFIDRO CC(C)c1nc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000160289357 508965716 /nfs/dbraw/zinc/96/57/16/508965716.db2.gz IYRKCMJWZBOVRN-CVEARBPZSA-N 1 0 351.516 2.764 20 70 FFIDRO CCCc1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000160324199 508970795 /nfs/dbraw/zinc/97/07/95/508970795.db2.gz UNZUOLIUFULRMK-GJZGRUSLSA-N 1 0 351.516 2.593 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(OC2CCCCC2)c1 ZINC000160344941 508973443 /nfs/dbraw/zinc/97/34/43/508973443.db2.gz CIDIMEMFRAWGFU-SFHVURJKSA-N 1 0 360.498 2.975 20 70 FFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC3CC3)cc1)CC2 ZINC000160341458 508973494 /nfs/dbraw/zinc/97/34/94/508973494.db2.gz ACLGOKLRQRKBTE-SJCJKPOMSA-N 1 0 354.458 2.536 20 70 FFIDRO CC[C@@](C)(O)C[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000160350648 508974159 /nfs/dbraw/zinc/97/41/59/508974159.db2.gz ZVPUCDXNHFKEGW-GOSISDBHSA-N 1 0 364.515 2.509 20 70 FFIDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000160421757 508984268 /nfs/dbraw/zinc/98/42/68/508984268.db2.gz HXLLGLKJOVKOBO-UHFFFAOYSA-N 1 0 373.328 2.579 20 70 FFIDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160429942 508986124 /nfs/dbraw/zinc/98/61/24/508986124.db2.gz VHQGFFHZCWTNBD-ZDUSSCGKSA-N 1 0 353.894 2.552 20 70 FFIDRO COCC[N@H+](C)CCCNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000160432049 508986201 /nfs/dbraw/zinc/98/62/01/508986201.db2.gz DRJNBYVSFVCCBK-UHFFFAOYSA-N 1 0 369.893 2.633 20 70 FFIDRO Cc1ccc(C)c(OCCCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160448196 508988538 /nfs/dbraw/zinc/98/85/38/508988538.db2.gz JJOPIYBDLDCEGU-LJQANCHMSA-N 1 0 362.514 2.816 20 70 FFIDRO CC[NH+]1CCN(c2ccc(C(=O)N(C)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000160453090 508989300 /nfs/dbraw/zinc/98/93/00/508989300.db2.gz FAGGOTDPNZMNPB-UHFFFAOYSA-N 1 0 367.449 2.834 20 70 FFIDRO O=C(CCCOc1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160480630 508992912 /nfs/dbraw/zinc/99/29/12/508992912.db2.gz XNCDKYVCAUIOJX-PMACEKPBSA-N 1 0 360.498 2.730 20 70 FFIDRO C[NH+](C)CCN(C(=O)NCc1ccc(-n2cccn2)cc1)C1CCCC1 ZINC000160501498 508995558 /nfs/dbraw/zinc/99/55/58/508995558.db2.gz PBNDFBHPNCKIPT-UHFFFAOYSA-N 1 0 355.486 2.888 20 70 FFIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccccc1Nc1ccccc1 ZINC000160546063 509001087 /nfs/dbraw/zinc/00/10/87/509001087.db2.gz VLUUHIFIWDSBHX-UHFFFAOYSA-N 1 0 353.466 2.864 20 70 FFIDRO C[C@@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000160544754 509001121 /nfs/dbraw/zinc/00/11/21/509001121.db2.gz IFOQDXYDOWNSNQ-CABCVRRESA-N 1 0 361.461 2.803 20 70 FFIDRO Cc1c([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cnn1-c1ccc(F)cc1 ZINC000160547906 509001628 /nfs/dbraw/zinc/00/16/28/509001628.db2.gz MNULGFBSLUDFDE-JTQLQIEISA-N 1 0 358.339 2.649 20 70 FFIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1cc(Br)cs1 ZINC000160556541 509002782 /nfs/dbraw/zinc/00/27/82/509002782.db2.gz GNBABZWUPJMMIL-JMSVASOKSA-N 1 0 373.316 2.659 20 70 FFIDRO Cc1cc(C)c(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(C)c1 ZINC000160574804 509004159 /nfs/dbraw/zinc/00/41/59/509004159.db2.gz CIEKXKUWXRGTJE-VQTJNVASSA-N 1 0 352.478 2.977 20 70 FFIDRO COc1cccc(COCCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000160581364 509005673 /nfs/dbraw/zinc/00/56/73/509005673.db2.gz XREFTEKDVUEWOS-SFHVURJKSA-N 1 0 363.502 2.728 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000160594851 509007652 /nfs/dbraw/zinc/00/76/52/509007652.db2.gz NGBLPQZYVKTIOF-PZJWPPBQSA-N 1 0 368.477 2.770 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(Cl)c1F ZINC000160597062 509008167 /nfs/dbraw/zinc/00/81/67/509008167.db2.gz UZJKIUWKXLXYGM-CVEARBPZSA-N 1 0 354.853 2.977 20 70 FFIDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000160599862 509008509 /nfs/dbraw/zinc/00/85/09/509008509.db2.gz SLZHIPUWSBITHW-UXHICEINSA-N 1 0 354.450 2.509 20 70 FFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000160619253 509011036 /nfs/dbraw/zinc/01/10/36/509011036.db2.gz UYESEAYDXSDFQM-SJORKVTESA-N 1 0 363.527 2.923 20 70 FFIDRO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160624799 509011603 /nfs/dbraw/zinc/01/16/03/509011603.db2.gz HHZHYFUCBMSLRY-BQJUDKOJSA-N 1 0 356.510 2.983 20 70 FFIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000160641123 509013056 /nfs/dbraw/zinc/01/30/56/509013056.db2.gz SSJNCXIRMHCEPG-OAHLLOKOSA-N 1 0 364.453 2.653 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc2ncccc21 ZINC000160648877 509013841 /nfs/dbraw/zinc/01/38/41/509013841.db2.gz FNMPIRKZDXHVEN-VQTJNVASSA-N 1 0 353.466 2.733 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1occc1Br ZINC000160656337 509015230 /nfs/dbraw/zinc/01/52/30/509015230.db2.gz BJFMOHHVEFOFMP-KGLIPLIRSA-N 1 0 371.275 2.540 20 70 FFIDRO O=C(CCC(=O)c1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160658479 509015823 /nfs/dbraw/zinc/01/58/23/509015823.db2.gz FSOJCRYRXVYEMA-ICSRJNTNSA-N 1 0 358.482 2.534 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)CCNC(=O)C1CCCCC1)c1ccc(F)cc1 ZINC000160661280 509016061 /nfs/dbraw/zinc/01/60/61/509016061.db2.gz LRGTYGDZUTXADO-GOSISDBHSA-N 1 0 363.477 2.631 20 70 FFIDRO O=C(CCc1cccc(OC2CCCC2)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160686617 509020143 /nfs/dbraw/zinc/02/01/43/509020143.db2.gz XGGKHFGYELAAMT-LJQANCHMSA-N 1 0 374.525 2.904 20 70 FFIDRO Cc1[nH]c2ccccc2c1CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160685539 509020463 /nfs/dbraw/zinc/02/04/63/509020463.db2.gz MXIQDABWLLJZDJ-SFTDATJTSA-N 1 0 369.509 2.903 20 70 FFIDRO O=C(/C=C/c1ccc2c(c1)CCO2)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160751728 509029314 /nfs/dbraw/zinc/02/93/14/509029314.db2.gz OMESKTTWZNWTJA-NTQLHHNMSA-N 1 0 370.493 2.519 20 70 FFIDRO CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000160788832 509033208 /nfs/dbraw/zinc/03/32/08/509033208.db2.gz NZTWKJQHCBYJKN-UYAOXDASSA-N 1 0 356.514 2.702 20 70 FFIDRO O=C(NCC1(Cc2ccccc2)CC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000160798053 509033880 /nfs/dbraw/zinc/03/38/80/509033880.db2.gz PONMLJCMEBGLMS-FQEVSTJZSA-N 1 0 371.525 2.763 20 70 FFIDRO CCn1cc(C2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)cn1 ZINC000160825954 509036927 /nfs/dbraw/zinc/03/69/27/509036927.db2.gz CWEZGRDXPGDSCO-SFHVURJKSA-N 1 0 359.518 2.809 20 70 FFIDRO CCc1nccn1[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160824608 509037091 /nfs/dbraw/zinc/03/70/91/509037091.db2.gz DRGURMFUSQNBEL-AEFFLSMTSA-N 1 0 359.518 2.809 20 70 FFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc3c2oc(=O)n3C)c1 ZINC000160857643 509040650 /nfs/dbraw/zinc/04/06/50/509040650.db2.gz UNXMMXKREJQXNX-UHFFFAOYSA-N 1 0 353.422 2.513 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)Cc1ccccc1 ZINC000160857160 509040881 /nfs/dbraw/zinc/04/08/81/509040881.db2.gz SOAACGLMEHVHMB-CQSZACIVSA-N 1 0 369.391 2.740 20 70 FFIDRO O=C(NC[C@H](O)c1ccsc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000160900768 509046128 /nfs/dbraw/zinc/04/61/28/509046128.db2.gz ANPJHHIYWKZZTR-CVEARBPZSA-N 1 0 363.483 2.901 20 70 FFIDRO C[NH+](C)CCCOC1CCN(C(=O)CCc2ccc(F)cc2F)CC1 ZINC000160910469 509046467 /nfs/dbraw/zinc/04/64/67/509046467.db2.gz ZZWLLCUACLTXPR-UHFFFAOYSA-N 1 0 354.441 2.857 20 70 FFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000160911491 509047108 /nfs/dbraw/zinc/04/71/08/509047108.db2.gz GOXBXOIQOSKYHQ-SFHVURJKSA-N 1 0 361.534 2.820 20 70 FFIDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000160912750 509047426 /nfs/dbraw/zinc/04/74/26/509047426.db2.gz HWWSGLYOWRXNHI-STQMWFEESA-N 1 0 372.556 2.638 20 70 FFIDRO C[C@@H](C(=O)NCc1cccc(NC(=O)N(C)C)c1)[C@@H]([NH3+])c1ccccc1 ZINC000160957008 509053528 /nfs/dbraw/zinc/05/35/28/509053528.db2.gz MKKJYAOLLMXREK-RDTXWAMCSA-N 1 0 354.454 2.732 20 70 FFIDRO CCc1nc2c(s1)[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)CCC2 ZINC000160986240 509057367 /nfs/dbraw/zinc/05/73/67/509057367.db2.gz TVYLEQMQEDTYTF-OAHLLOKOSA-N 1 0 359.495 2.998 20 70 FFIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000160993260 509058030 /nfs/dbraw/zinc/05/80/30/509058030.db2.gz VKYISXFZCCNVOZ-OWCLPIDISA-N 1 0 357.498 2.675 20 70 FFIDRO C[N@@H+]1CCCN(C(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)CC1 ZINC000161005779 509059585 /nfs/dbraw/zinc/05/95/85/509059585.db2.gz GGPRYMQXYHBSFS-UHFFFAOYSA-N 1 0 353.470 2.994 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000161066824 509066655 /nfs/dbraw/zinc/06/66/55/509066655.db2.gz SUVXFWCDTJIIET-ROUUACIJSA-N 1 0 373.541 2.758 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000161079151 509067867 /nfs/dbraw/zinc/06/78/67/509067867.db2.gz KAMMRWHHCVDVBX-KRWDZBQOSA-N 1 0 359.514 2.763 20 70 FFIDRO C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1CCOCC1 ZINC000161075973 509068174 /nfs/dbraw/zinc/06/81/74/509068174.db2.gz JHOWPVHIEFQQLC-INIZCTEOSA-N 1 0 373.497 2.542 20 70 FFIDRO CC(C)(C)C(=O)NCc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000161134043 509075630 /nfs/dbraw/zinc/07/56/30/509075630.db2.gz XFCQLAIELFETJK-UHFFFAOYSA-N 1 0 357.498 2.517 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000161136129 509076234 /nfs/dbraw/zinc/07/62/34/509076234.db2.gz IDHSERNNTOBMCR-HNNXBMFYSA-N 1 0 363.889 2.541 20 70 FFIDRO COc1cccc(NC(=O)[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccccc2)c1 ZINC000161204659 509085837 /nfs/dbraw/zinc/08/58/37/509085837.db2.gz YUVURDVPOIAVAB-FXAWDEMLSA-N 1 0 367.449 2.585 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000161210224 509086690 /nfs/dbraw/zinc/08/66/90/509086690.db2.gz HPWSHFMBEIWZHV-OAHLLOKOSA-N 1 0 369.465 2.555 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOc2cc(C)cc(C)c2)cc1 ZINC000161255498 509092970 /nfs/dbraw/zinc/09/29/70/509092970.db2.gz CGJZGDMTYJECCN-MRXNPFEDSA-N 1 0 362.495 2.941 20 70 FFIDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000161306193 509099896 /nfs/dbraw/zinc/09/98/96/509099896.db2.gz ARUXPHZBPSIKTI-LBPRGKRZSA-N 1 0 366.893 2.942 20 70 FFIDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC1 ZINC000161389654 509110809 /nfs/dbraw/zinc/11/08/09/509110809.db2.gz GQSCAKFEBMRAPO-UHFFFAOYSA-N 1 0 371.553 2.943 20 70 FFIDRO O=C1[C@@H](N2CCC([C@@H](O)C(F)(F)F)CC2)CCCN1c1ccccc1F ZINC000161397319 509111286 /nfs/dbraw/zinc/11/12/86/509111286.db2.gz WEPYKHNHFJPAQA-JKSUJKDBSA-N 1 0 374.378 2.956 20 70 FFIDRO CCOC(=O)c1c(C)oc2nc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)nc(N)c21 ZINC000161450995 509117214 /nfs/dbraw/zinc/11/72/14/509117214.db2.gz XKSZNNBGEJVFPV-CHWSQXEVSA-N 1 0 358.442 2.912 20 70 FFIDRO CC1CC[NH+](C2CCC(NC(=O)CNC(=O)CC3CCCC3)CC2)CC1 ZINC000161494491 509122115 /nfs/dbraw/zinc/12/21/15/509122115.db2.gz HEVMSSYJIJFHNL-UHFFFAOYSA-N 1 0 363.546 2.842 20 70 FFIDRO CN1CCN(CC(=O)NCCc2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000216739352 509263637 /nfs/dbraw/zinc/26/36/37/509263637.db2.gz UDSGTEIZVXXNBA-HXUWFJFHSA-N 1 0 371.912 2.987 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000159418687 508839772 /nfs/dbraw/zinc/83/97/72/508839772.db2.gz QPLCTPPBBSOLBE-AWEZNQCLSA-N 1 0 369.303 2.943 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3c[nH]c4cc(F)ccc34)cn2)CC1 ZINC000159440195 508842384 /nfs/dbraw/zinc/84/23/84/508842384.db2.gz SWVVLEKICOLAJK-UHFFFAOYSA-N 1 0 367.428 2.635 20 70 FFIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000159450119 508843799 /nfs/dbraw/zinc/84/37/99/508843799.db2.gz XXMBPRVSCFSFGC-OWCLPIDISA-N 1 0 357.498 2.692 20 70 FFIDRO Cc1cc(NC(=O)CC[NH+]2CCN([C@@H](C)c3cccc(F)c3)CC2)no1 ZINC000159473709 508847010 /nfs/dbraw/zinc/84/70/10/508847010.db2.gz BMOSRQGXLVFVKF-HNNXBMFYSA-N 1 0 360.433 2.830 20 70 FFIDRO CCc1c(C(=O)NCC2([NH3+])CCCCC2)nnn1-c1cccc(Cl)c1 ZINC000159481139 508847677 /nfs/dbraw/zinc/84/76/77/508847677.db2.gz NRCULXXIFPYIGJ-UHFFFAOYSA-N 1 0 361.877 2.875 20 70 FFIDRO C[NH+](C)CCOc1cc(CNC(=O)[C@H](c2ccccc2)C2CC2)ccn1 ZINC000159567266 508859604 /nfs/dbraw/zinc/85/96/04/508859604.db2.gz UQKRKQVPPHUFMZ-HXUWFJFHSA-N 1 0 353.466 2.832 20 70 FFIDRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCSC2)c1 ZINC000159599249 508863565 /nfs/dbraw/zinc/86/35/65/508863565.db2.gz NUCANEKZFDGAIA-LLVKDONJSA-N 1 0 373.316 2.673 20 70 FFIDRO COCCNc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000159622475 508867048 /nfs/dbraw/zinc/86/70/48/508867048.db2.gz COUFEUFDVLRQOU-UHFFFAOYSA-N 1 0 362.518 2.665 20 70 FFIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000159632475 508868606 /nfs/dbraw/zinc/86/86/06/508868606.db2.gz QDJMYHXPGPTTBD-GDBMZVCRSA-N 1 0 363.889 2.987 20 70 FFIDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@@H]1CCN(C2CC2)C1=O ZINC000159646846 508870649 /nfs/dbraw/zinc/87/06/49/508870649.db2.gz PFEYGKDGMVZCND-MRXNPFEDSA-N 1 0 367.287 2.913 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(Br)ccc2F)CC1 ZINC000159660656 508872803 /nfs/dbraw/zinc/87/28/03/508872803.db2.gz FVCIJPJYGQGIJP-UHFFFAOYSA-N 1 0 358.255 2.825 20 70 FFIDRO CN(CC[C@H]1CCCC[N@@H+]1C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000159688392 508875781 /nfs/dbraw/zinc/87/57/81/508875781.db2.gz FHPVHUVMXVNROM-CVEARBPZSA-N 1 0 368.319 2.782 20 70 FFIDRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159733580 508882725 /nfs/dbraw/zinc/88/27/25/508882725.db2.gz KDBABOOJKQZWOS-KRWDZBQOSA-N 1 0 366.527 2.932 20 70 FFIDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(O)c(Br)c1 ZINC000159748872 508884803 /nfs/dbraw/zinc/88/48/03/508884803.db2.gz JWWBGKQFYXQWKG-UHFFFAOYSA-N 1 0 358.280 2.636 20 70 FFIDRO O=C(CN[C@H](c1ccccc1)C(F)(F)F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159762835 508886859 /nfs/dbraw/zinc/88/68/59/508886859.db2.gz JWRCMLGMBNLQRR-GOSISDBHSA-N 1 0 369.431 2.870 20 70 FFIDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159769013 508888135 /nfs/dbraw/zinc/88/81/35/508888135.db2.gz WRMYTZKRMAOEMP-SFHVURJKSA-N 1 0 366.527 2.766 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000159792135 508891984 /nfs/dbraw/zinc/89/19/84/508891984.db2.gz MLYFNHQVRRPSJK-UHFFFAOYSA-N 1 0 366.893 2.714 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCCc3c2cnn3C)C1 ZINC000159805797 508893709 /nfs/dbraw/zinc/89/37/09/508893709.db2.gz UYMNZDWUPNWTQT-SJLPKXTDSA-N 1 0 361.534 2.807 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCCCc2nc3c(s2)CCCC3)CC1 ZINC000159806083 508893822 /nfs/dbraw/zinc/89/38/22/508893822.db2.gz HOLHGCQAPWKTNA-UHFFFAOYSA-N 1 0 350.532 2.692 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159833790 508898459 /nfs/dbraw/zinc/89/84/59/508898459.db2.gz WFFAURRDVGQTQA-FUHWJXTLSA-N 1 0 361.486 2.680 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159833535 508898590 /nfs/dbraw/zinc/89/85/90/508898590.db2.gz WFFAURRDVGQTQA-WMZOPIPTSA-N 1 0 361.486 2.680 20 70 FFIDRO C[NH+]1CCN(c2cc(C(=O)N[C@H]3CCCc4sccc43)ccn2)CC1 ZINC000159845765 508899867 /nfs/dbraw/zinc/89/98/67/508899867.db2.gz PPPZJGADACLTMV-INIZCTEOSA-N 1 0 356.495 2.702 20 70 FFIDRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159855663 508900944 /nfs/dbraw/zinc/90/09/44/508900944.db2.gz HOLXNUUURBQOQZ-CABCVRRESA-N 1 0 367.457 2.723 20 70 FFIDRO Cc1ccc([C@@H](CNC(=O)Nc2ccnn2C[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000159856369 508901735 /nfs/dbraw/zinc/90/17/35/508901735.db2.gz ODDYCBGYGKRLPL-FUHWJXTLSA-N 1 0 371.485 2.652 20 70 FFIDRO COC(=O)c1oc([C@@H](C)[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1C ZINC000159857699 508901785 /nfs/dbraw/zinc/90/17/85/508901785.db2.gz DGQXKHLRMULFNP-HZPDHXFCSA-N 1 0 350.459 2.622 20 70 FFIDRO CC(C)CN(CC[NH+](C)C)C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000159870979 508904180 /nfs/dbraw/zinc/90/41/80/508904180.db2.gz SQIVGNPDAVJENU-UHFFFAOYSA-N 1 0 359.474 2.508 20 70 FFIDRO CC[NH+]1CCC(CCNC(=O)N2CCC(C3CCOCC3)CC2)CC1 ZINC000159880346 508905689 /nfs/dbraw/zinc/90/56/89/508905689.db2.gz NWBKVRCQHJACLV-UHFFFAOYSA-N 1 0 351.535 2.957 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Sc2ccccn2)cc1 ZINC000159914603 508911287 /nfs/dbraw/zinc/91/12/87/508911287.db2.gz KWHRHEJYDGMJMQ-QGZVFWFLSA-N 1 0 371.506 2.809 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)c1ccc(-n2ccnn2)cc1 ZINC000159925968 508912506 /nfs/dbraw/zinc/91/25/06/508912506.db2.gz JHOBIPMLESBGQW-CVEARBPZSA-N 1 0 361.449 2.896 20 70 FFIDRO O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159992828 508921460 /nfs/dbraw/zinc/92/14/60/508921460.db2.gz NWAFHXMJJALLLX-CQSZACIVSA-N 1 0 359.297 2.889 20 70 FFIDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159999407 508923337 /nfs/dbraw/zinc/92/33/37/508923337.db2.gz VRDVQQCAYVAGSG-ZBEGNZNMSA-N 1 0 357.472 2.849 20 70 FFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CCC(CO)CC1 ZINC000160006255 508924596 /nfs/dbraw/zinc/92/45/96/508924596.db2.gz NBWGBGLSXWXLLL-ACAXCVFMSA-N 1 0 359.514 2.699 20 70 FFIDRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160008959 508925160 /nfs/dbraw/zinc/92/51/60/508925160.db2.gz QJOLVXVPQQWBPF-PBHICJAKSA-N 1 0 372.431 2.847 20 70 FFIDRO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000160101357 508938816 /nfs/dbraw/zinc/93/88/16/508938816.db2.gz CGKZIKYSZIDHSK-MCIONIFRSA-N 1 0 371.321 2.996 20 70 FFIDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000160208064 508954556 /nfs/dbraw/zinc/95/45/56/508954556.db2.gz CBVRQGGOOWMJKQ-RTBURBONSA-N 1 0 360.498 2.566 20 70 FFIDRO CCn1nc(C)cc1C(=O)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000160236252 508958537 /nfs/dbraw/zinc/95/85/37/508958537.db2.gz WTYPIDYYVIMJAH-UHFFFAOYSA-N 1 0 358.486 2.862 20 70 FFIDRO C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000160269149 508962510 /nfs/dbraw/zinc/96/25/10/508962510.db2.gz FVIXUPJQHLCBRK-DOTOQJQBSA-N 1 0 354.454 2.639 20 70 FFIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000160266255 508962585 /nfs/dbraw/zinc/96/25/85/508962585.db2.gz YXCLVRNBTUZEGL-IAGOWNOFSA-N 1 0 366.452 2.885 20 70 FFIDRO Cc1ccc(C)c(OCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160272296 508963218 /nfs/dbraw/zinc/96/32/18/508963218.db2.gz DJOJDVLZLYIRKI-VQTJNVASSA-N 1 0 374.525 2.956 20 70 FFIDRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2cccc(OC(F)(F)F)c2)C[C@H](C)O1 ZINC000160269812 508963230 /nfs/dbraw/zinc/96/32/30/508963230.db2.gz DFAWGYBKJGHIKD-OKILXGFUSA-N 1 0 374.403 2.743 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000160270421 508963243 /nfs/dbraw/zinc/96/32/43/508963243.db2.gz JDGRRHBMVNSGIP-HOTGVXAUSA-N 1 0 353.532 2.510 20 70 FFIDRO O=C(COC/C=C/c1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160292330 508965397 /nfs/dbraw/zinc/96/53/97/508965397.db2.gz KHCLOUXSVCXARQ-WZIVPHRBSA-N 1 0 372.509 2.601 20 70 FFIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000160313864 508969615 /nfs/dbraw/zinc/96/96/15/508969615.db2.gz YGYBEZRQLRLYCW-JSGCOSHPSA-N 1 0 371.407 2.926 20 70 FFIDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](CCO)CSC ZINC000160320122 508970112 /nfs/dbraw/zinc/97/01/12/508970112.db2.gz ICNQWDRUJKTQHX-WCQYABFASA-N 1 0 360.907 2.769 20 70 FFIDRO C[C@H](CCOc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160336181 508972480 /nfs/dbraw/zinc/97/24/80/508972480.db2.gz NQLWSDFKQBPJNO-QMMLZNLJSA-N 1 0 374.525 2.976 20 70 FFIDRO CSc1ccsc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160363198 508975967 /nfs/dbraw/zinc/97/59/67/508975967.db2.gz KIDPOULUQKXWAZ-UONOGXRCSA-N 1 0 354.541 2.968 20 70 FFIDRO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CCOCC4CC4)CC3)cc2NC1=O ZINC000160358855 508976187 /nfs/dbraw/zinc/97/61/87/508976187.db2.gz GPOBANFQRNTICP-CQSZACIVSA-N 1 0 372.465 2.727 20 70 FFIDRO C[C@H]1C[C@@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)C[N@@H+]1Cc1ccccc1 ZINC000160397482 508981305 /nfs/dbraw/zinc/98/13/05/508981305.db2.gz KEWKOVUZFBCNCV-SKRQURTPSA-N 1 0 365.477 2.607 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000160406700 508982979 /nfs/dbraw/zinc/98/29/79/508982979.db2.gz HUSYINOFUFRFET-KXBFYZLASA-N 1 0 367.559 2.756 20 70 FFIDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cncc(-c3cccc(C)c3)c2)CC1 ZINC000160467115 508991233 /nfs/dbraw/zinc/99/12/33/508991233.db2.gz HUOSTLLXHSHTGE-SFHVURJKSA-N 1 0 366.509 2.813 20 70 FFIDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000160472474 508991407 /nfs/dbraw/zinc/99/14/07/508991407.db2.gz XVSCZXGYLHYBPI-CPUCHLNUSA-N 1 0 350.459 2.562 20 70 FFIDRO CCc1c(C(=O)NCC([NH3+])(CC)CC)nnn1-c1ccc(OC(C)C)cc1 ZINC000160559572 509002710 /nfs/dbraw/zinc/00/27/10/509002710.db2.gz VJJVAXAQQJNDER-UHFFFAOYSA-N 1 0 373.501 2.864 20 70 FFIDRO Cc1c(C(=O)NCC2CC[NH+](CCO)CC2)sc2cccc(F)c12 ZINC000160576523 509004951 /nfs/dbraw/zinc/00/49/51/509004951.db2.gz IJKPBBCRMKNMFO-UHFFFAOYSA-N 1 0 350.459 2.783 20 70 FFIDRO C[C@H](Cc1ccccc1F)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160590572 509006638 /nfs/dbraw/zinc/00/66/38/509006638.db2.gz AAOOJHSCBDBLOF-YSGRDPCXSA-N 1 0 362.489 2.888 20 70 FFIDRO C[C@@H](Cc1ccccc1F)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160590429 509007061 /nfs/dbraw/zinc/00/70/61/509007061.db2.gz AAOOJHSCBDBLOF-BEVDRBHNSA-N 1 0 362.489 2.888 20 70 FFIDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1 ZINC000160660518 509015742 /nfs/dbraw/zinc/01/57/42/509015742.db2.gz VKKIHOSQVPRIAI-GFOFROLCSA-N 1 0 365.499 2.540 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160659477 509016081 /nfs/dbraw/zinc/01/60/81/509016081.db2.gz QSKPSAYMEXNTPM-OCCSQVGLSA-N 1 0 369.303 2.941 20 70 FFIDRO Cc1ccc(SCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160663524 509016507 /nfs/dbraw/zinc/01/65/07/509016507.db2.gz APHROBPOFWLTIN-RBUKOAKNSA-N 1 0 362.539 2.971 20 70 FFIDRO Cc1c(CNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cnn1C ZINC000160663795 509016915 /nfs/dbraw/zinc/01/69/15/509016915.db2.gz WZUINZNSGLHZLP-LJQANCHMSA-N 1 0 355.486 2.582 20 70 FFIDRO O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160673238 509017386 /nfs/dbraw/zinc/01/73/86/509017386.db2.gz JOWSVZWZTBKQNO-NRFANRHFSA-N 1 0 352.478 2.859 20 70 FFIDRO CCOC(=O)c1c(C)oc2nc(CN(C)Cc3ccoc3C)nc(N)c21 ZINC000160678953 509018486 /nfs/dbraw/zinc/01/84/86/509018486.db2.gz GMUZFYOUPDDZQR-UHFFFAOYSA-N 1 0 358.398 2.824 20 70 FFIDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(F)cc1F ZINC000160687964 509020001 /nfs/dbraw/zinc/02/00/01/509020001.db2.gz UXIQLASRBVSJIC-ZWKOTPCHSA-N 1 0 352.425 2.771 20 70 FFIDRO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160685182 509020056 /nfs/dbraw/zinc/02/00/56/509020056.db2.gz ITJCPGZLMFCVIK-KRWDZBQOSA-N 1 0 361.530 2.886 20 70 FFIDRO CC[C@H](O)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000160731665 509026024 /nfs/dbraw/zinc/02/60/24/509026024.db2.gz LBDHBVWISDFGSJ-JKSUJKDBSA-N 1 0 353.532 2.981 20 70 FFIDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000160733105 509026138 /nfs/dbraw/zinc/02/61/38/509026138.db2.gz JLMQHAIIBMIQOU-UHFFFAOYSA-N 1 0 356.474 2.726 20 70 FFIDRO Cc1ccc(C)c(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160741321 509027571 /nfs/dbraw/zinc/02/75/71/509027571.db2.gz JFLDKXZXZPALHP-RTBURBONSA-N 1 0 360.498 2.566 20 70 FFIDRO Cc1cc(C)cc(CCC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000160750608 509028045 /nfs/dbraw/zinc/02/80/45/509028045.db2.gz DGCDOMMBMRJFNT-VXKWHMMOSA-N 1 0 366.505 2.988 20 70 FFIDRO CCC(CC)c1cc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)on1 ZINC000160755553 509028848 /nfs/dbraw/zinc/02/88/48/509028848.db2.gz RTFOVNGYIHYMHU-UHFFFAOYSA-N 1 0 371.485 2.655 20 70 FFIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncc(-c3ccccc3)s2)CC1 ZINC000160800568 509034713 /nfs/dbraw/zinc/03/47/13/509034713.db2.gz CTCURDYDEUGNSC-MRXNPFEDSA-N 1 0 356.495 2.729 20 70 FFIDRO CC(C)Cc1ccc(CCC(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000160912279 509047198 /nfs/dbraw/zinc/04/71/98/509047198.db2.gz CQELTJUAWVEYNW-UHFFFAOYSA-N 1 0 359.558 2.960 20 70 FFIDRO C[C@H](C(=O)NCc1cccc(NC(=O)N(C)C)c1)[C@@H]([NH3+])c1ccccc1 ZINC000160956866 509053186 /nfs/dbraw/zinc/05/31/86/509053186.db2.gz MKKJYAOLLMXREK-KBXCAEBGSA-N 1 0 354.454 2.732 20 70 FFIDRO CCSc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160978241 509055629 /nfs/dbraw/zinc/05/56/29/509055629.db2.gz DDCOKTUHSJIIEG-AWEZNQCLSA-N 1 0 371.506 2.865 20 70 FFIDRO C[C@@]1(n2cc(C[NH2+][C@@H]3CCCc4sccc43)cn2)CCS(=O)(=O)C1 ZINC000160985322 509056706 /nfs/dbraw/zinc/05/67/06/509056706.db2.gz KTMSNMBFRKDLIA-NVXWUHKLSA-N 1 0 365.524 2.646 20 70 FFIDRO Cc1c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cnn1C1CCOCC1 ZINC000160993890 509057918 /nfs/dbraw/zinc/05/79/18/509057918.db2.gz MEAQTIYWGWRDCU-UHFFFAOYSA-N 1 0 362.518 2.737 20 70 FFIDRO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(NC(N)=O)cc1 ZINC000161064204 509066576 /nfs/dbraw/zinc/06/65/76/509066576.db2.gz JDARZBFTQJOHMK-AWEZNQCLSA-N 1 0 369.469 2.799 20 70 FFIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000161087755 509069351 /nfs/dbraw/zinc/06/93/51/509069351.db2.gz SBEAVPSOXWBTSI-AUUYWEPGSA-N 1 0 360.429 2.504 20 70 FFIDRO C[C@H](CNC(=O)NCCCc1nc2ccccc2[nH]1)C[NH+]1CCCCC1 ZINC000161091531 509070327 /nfs/dbraw/zinc/07/03/27/509070327.db2.gz JBJLTJWAPIHBNV-MRXNPFEDSA-N 1 0 357.502 2.917 20 70 FFIDRO CCOC(=O)C1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000161111898 509072744 /nfs/dbraw/zinc/07/27/44/509072744.db2.gz VUQIXEVCGDELDL-UHFFFAOYSA-N 1 0 367.534 2.872 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000161107984 509072951 /nfs/dbraw/zinc/07/29/51/509072951.db2.gz IHOKRGYTTWNVRH-NRFANRHFSA-N 1 0 357.498 2.529 20 70 FFIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161129968 509074736 /nfs/dbraw/zinc/07/47/36/509074736.db2.gz KEXDNJSEWXFKGS-GFCCVEGCSA-N 1 0 365.426 2.851 20 70 FFIDRO CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCC[C@H]1C[NH2+]C ZINC000161187547 509082566 /nfs/dbraw/zinc/08/25/66/509082566.db2.gz QTNHFVBDPAGDST-INIZCTEOSA-N 1 0 363.465 2.942 20 70 FFIDRO CC(C)c1ncc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000161193570 509084056 /nfs/dbraw/zinc/08/40/56/509084056.db2.gz HDGWYTRFTYJBPG-IYBDPMFKSA-N 1 0 364.559 2.897 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)Cc2ccccn2)CC1 ZINC000161204737 509086048 /nfs/dbraw/zinc/08/60/48/509086048.db2.gz GBHSKXKLTOIGGY-INIZCTEOSA-N 1 0 353.470 2.844 20 70 FFIDRO COc1ccc([C@@H](C[NH2+]C2CCC(NC(C)=O)CC2)N2CCCC2)cc1 ZINC000161206165 509086056 /nfs/dbraw/zinc/08/60/56/509086056.db2.gz ZFLMHQZURXVWPJ-GZNCHQMQSA-N 1 0 359.514 2.869 20 70 FFIDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC000161236487 509090969 /nfs/dbraw/zinc/09/09/69/509090969.db2.gz DPUXHVIRRSUBIU-FQEVSTJZSA-N 1 0 366.509 2.816 20 70 FFIDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000161243859 509091625 /nfs/dbraw/zinc/09/16/25/509091625.db2.gz WZNKBBDFFLAVPF-UHFFFAOYSA-N 1 0 372.494 2.629 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(CCCCO)C2CC2)CC1 ZINC000161254904 509092447 /nfs/dbraw/zinc/09/24/47/509092447.db2.gz DVNCUJXJBKZZST-INIZCTEOSA-N 1 0 360.502 2.554 20 70 FFIDRO COC[C@H](NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000161255489 509093066 /nfs/dbraw/zinc/09/30/66/509093066.db2.gz ORMFDPLGVVZZPY-BXWFABGCSA-N 1 0 359.514 2.867 20 70 FFIDRO COc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1N ZINC000161285682 509096665 /nfs/dbraw/zinc/09/66/65/509096665.db2.gz FERCJARQAUSYCB-CQSZACIVSA-N 1 0 372.444 2.566 20 70 FFIDRO CCN(C[C@@H]1CCCO1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161304910 509099702 /nfs/dbraw/zinc/09/97/02/509099702.db2.gz QDWHLVUAYMJTHW-APWZRJJASA-N 1 0 360.502 2.818 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000161322675 509102272 /nfs/dbraw/zinc/10/22/72/509102272.db2.gz YNKKITPDHQESEV-UHFFFAOYSA-N 1 0 357.498 2.613 20 70 FFIDRO COc1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc(OC)c1O ZINC000161358359 509106031 /nfs/dbraw/zinc/10/60/31/509106031.db2.gz IYMWCDGISAXSAJ-KRWDZBQOSA-N 1 0 370.449 2.976 20 70 FFIDRO Cc1ccc(OC[C@@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(C)c1 ZINC000161428412 509115072 /nfs/dbraw/zinc/11/50/72/509115072.db2.gz WDJOMCVCYYHAFY-RDJZCZTQSA-N 1 0 361.404 2.678 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2)c1 ZINC000161456109 509117175 /nfs/dbraw/zinc/11/71/75/509117175.db2.gz AMSSQNLYMACDAM-DOTOQJQBSA-N 1 0 359.495 2.524 20 70 FFIDRO COc1cccc(COCCNC(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000161460862 509117823 /nfs/dbraw/zinc/11/78/23/509117823.db2.gz HWUSFBFJTLQOAX-UHFFFAOYSA-N 1 0 371.481 2.773 20 70 FFIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000159382097 508834240 /nfs/dbraw/zinc/83/42/40/508834240.db2.gz IOEDEHYBRYSJAC-UHFFFAOYSA-N 1 0 374.554 2.980 20 70 FFIDRO C[C@@H](Cc1ccccc1F)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000159383353 508834499 /nfs/dbraw/zinc/83/44/99/508834499.db2.gz YFAIAEALOAAOIZ-HKUYNNGSSA-N 1 0 361.505 2.633 20 70 FFIDRO CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159418065 508839339 /nfs/dbraw/zinc/83/93/39/508839339.db2.gz SUOLAVCMUWMFLN-LBPRGKRZSA-N 1 0 360.424 2.580 20 70 FFIDRO COCCN(C)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000159426008 508840828 /nfs/dbraw/zinc/84/08/28/508840828.db2.gz PSASJNRULPRMJX-UHFFFAOYSA-N 1 0 357.901 2.611 20 70 FFIDRO C[N@H+](CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)[C@@H]1CCSC1 ZINC000159436218 508841418 /nfs/dbraw/zinc/84/14/18/508841418.db2.gz YQVXVZQSZXLRQE-OAHLLOKOSA-N 1 0 358.511 2.706 20 70 FFIDRO Cc1ccc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(F)c1 ZINC000159438570 508842438 /nfs/dbraw/zinc/84/24/38/508842438.db2.gz GEIYWPFVKNAACU-SJPCQFCGSA-N 1 0 360.477 2.909 20 70 FFIDRO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159531420 508853436 /nfs/dbraw/zinc/85/34/36/508853436.db2.gz PVYMCGKFGQFEOS-KRWDZBQOSA-N 1 0 363.506 2.697 20 70 FFIDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCN1CCCC1=O ZINC000159548606 508856945 /nfs/dbraw/zinc/85/69/45/508856945.db2.gz CEIQPKMYCVVKDO-HNNXBMFYSA-N 1 0 365.905 2.679 20 70 FFIDRO CCN(C(=O)NC[C@@H](C)Cn1cccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159548872 508856958 /nfs/dbraw/zinc/85/69/58/508856958.db2.gz XQFLDVAJWSIAMM-UYAOXDASSA-N 1 0 369.513 2.825 20 70 FFIDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCN1CCCC1=O ZINC000159548749 508857366 /nfs/dbraw/zinc/85/73/66/508857366.db2.gz CEIQPKMYCVVKDO-OAHLLOKOSA-N 1 0 365.905 2.679 20 70 FFIDRO Cc1cc(F)cc2c(O)c(C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)cnc12 ZINC000159564393 508859071 /nfs/dbraw/zinc/85/90/71/508859071.db2.gz ZVCKATBZMLATIS-CQSZACIVSA-N 1 0 359.445 2.683 20 70 FFIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(I)c1C ZINC000159576445 508860335 /nfs/dbraw/zinc/86/03/35/508860335.db2.gz RMAOPZYIIZGMAE-LBPRGKRZSA-N 1 0 372.250 2.814 20 70 FFIDRO CN(C)c1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000159570638 508860432 /nfs/dbraw/zinc/86/04/32/508860432.db2.gz CJLDFXZPCVVVAE-UHFFFAOYSA-N 1 0 363.477 2.609 20 70 FFIDRO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)n12 ZINC000159738362 508883515 /nfs/dbraw/zinc/88/35/15/508883515.db2.gz WXQZHVKXQLFPMI-HOCLYGCPSA-N 1 0 351.454 2.654 20 70 FFIDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CCc1nccs1 ZINC000159743440 508883975 /nfs/dbraw/zinc/88/39/75/508883975.db2.gz YOCMDJAFIYWVNO-UHFFFAOYSA-N 1 0 360.483 2.524 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000159763560 508887220 /nfs/dbraw/zinc/88/72/20/508887220.db2.gz DIJGNYVATOEKOL-LSDHHAIUSA-N 1 0 366.531 2.801 20 70 FFIDRO C[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C[C@@H]1CCC[C@@H]1O ZINC000159782264 508890123 /nfs/dbraw/zinc/89/01/23/508890123.db2.gz JAYRYCRYBXXEKQ-HZMBPMFUSA-N 1 0 370.375 2.613 20 70 FFIDRO C[NH+]1CCN(c2cc(CNC(=O)NCC3CCC(C)(C)CC3)ccn2)CC1 ZINC000159842381 508899502 /nfs/dbraw/zinc/89/95/02/508899502.db2.gz IHJPOYHZLXAOBG-UHFFFAOYSA-N 1 0 373.545 2.849 20 70 FFIDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCC(C)CC2)cc1 ZINC000159855395 508900770 /nfs/dbraw/zinc/90/07/70/508900770.db2.gz HZXCGXZLGIFHDN-SJORKVTESA-N 1 0 370.497 2.772 20 70 FFIDRO O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000159853778 508900889 /nfs/dbraw/zinc/90/08/89/508900889.db2.gz NSZYSFPHXDTKAM-MRXNPFEDSA-N 1 0 364.511 2.872 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000159862210 508902567 /nfs/dbraw/zinc/90/25/67/508902567.db2.gz QVRHOQIUMVACIN-CYBMUJFWSA-N 1 0 353.438 2.641 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000159866887 508903554 /nfs/dbraw/zinc/90/35/54/508903554.db2.gz RXEBFSASOBCXMQ-UHFFFAOYSA-N 1 0 363.849 2.627 20 70 FFIDRO C[C@@H]([NH2+]C1(CNC(=O)N[C@H]2CCC(=O)N(C)C2)CCCC1)c1ccccc1 ZINC000159874916 508904314 /nfs/dbraw/zinc/90/43/14/508904314.db2.gz JAYAYZINSNNVHA-AEFFLSMTSA-N 1 0 372.513 2.570 20 70 FFIDRO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000159882667 508905742 /nfs/dbraw/zinc/90/57/42/508905742.db2.gz WKWSGUHLSVQBKL-HZPDHXFCSA-N 1 0 353.470 2.529 20 70 FFIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCc1cccs1 ZINC000159923642 508911536 /nfs/dbraw/zinc/91/15/36/508911536.db2.gz AEXYIAHJXVBDHL-KBPBESRZSA-N 1 0 355.467 2.684 20 70 FFIDRO COCCN(Cc1ccco1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159967445 508918269 /nfs/dbraw/zinc/91/82/69/508918269.db2.gz RISDUIXDAKUQLA-XLIONFOSSA-N 1 0 371.481 2.958 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2-n2nc(C)cc2C)CC1 ZINC000159990781 508921616 /nfs/dbraw/zinc/92/16/16/508921616.db2.gz OEGRBTKKVFZTIM-UHFFFAOYSA-N 1 0 355.486 2.726 20 70 FFIDRO CC(C)(C)CCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000160072347 508934120 /nfs/dbraw/zinc/93/41/20/508934120.db2.gz OXLKUYWPQVMZAU-UHFFFAOYSA-N 1 0 351.535 2.653 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C[N@@H+]1Cc1ccccc1 ZINC000160079267 508935025 /nfs/dbraw/zinc/93/50/25/508935025.db2.gz KEWKOVUZFBCNCV-WUHBCXKYSA-N 1 0 365.477 2.607 20 70 FFIDRO CC(C)[C@H](SCc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160092796 508937296 /nfs/dbraw/zinc/93/72/96/508937296.db2.gz SVTDMEPFKCOIMB-OALUTQOASA-N 1 0 364.555 2.907 20 70 FFIDRO COc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000160145196 508945342 /nfs/dbraw/zinc/94/53/42/508945342.db2.gz CFDZSMUWWSKXMG-INIZCTEOSA-N 1 0 352.500 2.643 20 70 FFIDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nc[nH]n2)c1 ZINC000160168596 508949311 /nfs/dbraw/zinc/94/93/11/508949311.db2.gz CXYXZECREPHWSP-LJQANCHMSA-N 1 0 361.449 2.866 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CC2CCOCC2)CC1 ZINC000160173105 508949911 /nfs/dbraw/zinc/94/99/11/508949911.db2.gz DGSAPUUQHYPLIL-INIZCTEOSA-N 1 0 360.502 2.675 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](CO)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160191637 508952062 /nfs/dbraw/zinc/95/20/62/508952062.db2.gz KNUUWSXRCHXJKD-QMMLZNLJSA-N 1 0 367.493 2.725 20 70 FFIDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(-n2ccnn2)c1 ZINC000160233146 508957577 /nfs/dbraw/zinc/95/75/77/508957577.db2.gz CQSZLSFVTYNJKJ-UHFFFAOYSA-N 1 0 361.449 2.793 20 70 FFIDRO Cc1ccc(-c2nc(CC(=O)NC[C@@H](O)C[NH+]3CCCCC3)cs2)cc1 ZINC000160248003 508960101 /nfs/dbraw/zinc/96/01/01/508960101.db2.gz NAVKBEKRYKBUPW-GOSISDBHSA-N 1 0 373.522 2.624 20 70 FFIDRO COc1cccc(/C(C)=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160265164 508962361 /nfs/dbraw/zinc/96/23/61/508962361.db2.gz IUEZIVAYDKNEJQ-UDHFWRKXSA-N 1 0 372.509 2.983 20 70 FFIDRO Cn1c(=O)cccc1C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000160270707 508963386 /nfs/dbraw/zinc/96/33/86/508963386.db2.gz DDBIKYIIXJUACK-LJQANCHMSA-N 1 0 367.493 2.588 20 70 FFIDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000160290868 508965782 /nfs/dbraw/zinc/96/57/82/508965782.db2.gz WLKZEDYUKSQTLD-CQSZACIVSA-N 1 0 370.428 2.501 20 70 FFIDRO C[N@H+](CCCNC(=O)N1CCCN(CC(F)F)CC1)C1CCCCC1 ZINC000160312664 508969311 /nfs/dbraw/zinc/96/93/11/508969311.db2.gz BYTJJXRSYRKXEM-UHFFFAOYSA-N 1 0 360.493 2.623 20 70 FFIDRO C[C@H]1C[C@H](NC(=O)NC[C@H](O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160322837 508970299 /nfs/dbraw/zinc/97/02/99/508970299.db2.gz XAQVWFAOFBYNBM-DZFGPLHGSA-N 1 0 367.493 2.552 20 70 FFIDRO O=C(C[C@@H](c1ccccc1)C(F)(F)F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160324723 508971244 /nfs/dbraw/zinc/97/12/44/508971244.db2.gz SMJOQOKJWULQFL-HOTGVXAUSA-N 1 0 358.404 2.686 20 70 FFIDRO COc1ccc([C@H](C[NH2+]C(C2CC2)C2CC2)N2CCOCC2)cc1OC ZINC000160335069 508972521 /nfs/dbraw/zinc/97/25/21/508972521.db2.gz GTKIQQZSUSSBFB-SFHVURJKSA-N 1 0 360.498 2.855 20 70 FFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC3CC3)cc1)CC2 ZINC000160341743 508973317 /nfs/dbraw/zinc/97/33/17/508973317.db2.gz ACLGOKLRQRKBTE-PXAZEXFGSA-N 1 0 354.458 2.536 20 70 FFIDRO Cc1c(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)nnn1C1CC[NH2+]CC1 ZINC000160340510 508973625 /nfs/dbraw/zinc/97/36/25/508973625.db2.gz XZSSMJUYNIWEMD-MRXNPFEDSA-N 1 0 369.469 2.543 20 70 FFIDRO CCOCCC[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000160360147 508975819 /nfs/dbraw/zinc/97/58/19/508975819.db2.gz WQODRKXSOWBMJG-AWEZNQCLSA-N 1 0 360.454 2.727 20 70 FFIDRO O=C(C[C@@H]1OCCc2ccccc21)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160363428 508975876 /nfs/dbraw/zinc/97/58/76/508975876.db2.gz SFUNZUPFKIGLKJ-HKBOAZHASA-N 1 0 372.509 2.575 20 70 FFIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000160371726 508977890 /nfs/dbraw/zinc/97/78/90/508977890.db2.gz LTXNRGYKIGLXRN-JKSUJKDBSA-N 1 0 356.495 2.946 20 70 FFIDRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC000160394441 508980820 /nfs/dbraw/zinc/98/08/20/508980820.db2.gz QNYXPLWCFLMBKS-WOJBJXKFSA-N 1 0 370.493 2.883 20 70 FFIDRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCOC[C@H]1[C@@H]1CCCCC1=O ZINC000160394319 508981467 /nfs/dbraw/zinc/98/14/67/508981467.db2.gz QNYXPLWCFLMBKS-PMACEKPBSA-N 1 0 370.493 2.883 20 70 FFIDRO C[C@H](c1nc(Cc2ccccc2)no1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160412002 508983107 /nfs/dbraw/zinc/98/31/07/508983107.db2.gz IDFJHEWIZQVDFO-QGZVFWFLSA-N 1 0 370.497 2.766 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1nc(Cl)ccc1Cl ZINC000160423825 508985440 /nfs/dbraw/zinc/98/54/40/508985440.db2.gz VRFNCRDAMOSVPN-KBPBESRZSA-N 1 0 372.296 2.886 20 70 FFIDRO COc1ccc2cc([C@H](C)C(=O)NC[C@@H](O)C[NH+]3CCCCC3)ccc2c1 ZINC000160430911 508986026 /nfs/dbraw/zinc/98/60/26/508986026.db2.gz CDKLPLOOAPLPKI-OXJNMPFZSA-N 1 0 370.493 2.915 20 70 FFIDRO Cc1ccc([C@@H](CNC(=O)NCCc2ccncc2C)[NH+]2CCCC2)o1 ZINC000160449350 508988254 /nfs/dbraw/zinc/98/82/54/508988254.db2.gz XPZJDTDIINOOSU-GOSISDBHSA-N 1 0 356.470 2.970 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000160474800 508992370 /nfs/dbraw/zinc/99/23/70/508992370.db2.gz QNTGOXQPBFKFGG-OAHLLOKOSA-N 1 0 363.845 2.572 20 70 FFIDRO CC(=O)Nc1ccccc1C[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000160483971 508993142 /nfs/dbraw/zinc/99/31/42/508993142.db2.gz BDNFHJIJTYYBSK-UHFFFAOYSA-N 1 0 353.422 2.550 20 70 FFIDRO O=C(Cc1ccc(F)cc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160600894 509008154 /nfs/dbraw/zinc/00/81/54/509008154.db2.gz IFHJSQMXDQJYCF-MSOLQXFVSA-N 1 0 368.880 2.906 20 70 FFIDRO C[C@@H](Oc1ccccc1Br)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160633076 509012243 /nfs/dbraw/zinc/01/22/43/509012243.db2.gz IWPLYGQWUPZOSN-UPJWGTAASA-N 1 0 353.260 2.569 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ncoc1-c1ccccc1Cl ZINC000160650059 509014598 /nfs/dbraw/zinc/01/45/98/509014598.db2.gz IWAOLSZPPJIBHA-ZDUSSCGKSA-N 1 0 363.845 2.572 20 70 FFIDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000160662582 509016092 /nfs/dbraw/zinc/01/60/92/509016092.db2.gz UTCLXYXMYHXWHM-UHFFFAOYSA-N 1 0 367.428 2.610 20 70 FFIDRO O=C(CCSc1ccccc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160673925 509017617 /nfs/dbraw/zinc/01/76/17/509017617.db2.gz OBDJRSRBHVNAJA-CQSZACIVSA-N 1 0 356.919 2.785 20 70 FFIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccccc1Oc1ccccc1 ZINC000160715061 509024474 /nfs/dbraw/zinc/02/44/74/509024474.db2.gz GZWDMIKFCPWHEC-UHFFFAOYSA-N 1 0 354.450 2.913 20 70 FFIDRO C[NH+](C)CCCC1CCN(C(=O)NCCC(=O)NC2CCCCC2)CC1 ZINC000160723863 509025454 /nfs/dbraw/zinc/02/54/54/509025454.db2.gz BZJQCLPOYMPZHP-UHFFFAOYSA-N 1 0 366.550 2.589 20 70 FFIDRO O=C(/C=C/SCc1ccco1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160736357 509026764 /nfs/dbraw/zinc/02/67/64/509026764.db2.gz PNZUSJMKIBMLJQ-LJXZRRFRSA-N 1 0 364.511 2.911 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)nc2)CC1 ZINC000160789022 509033443 /nfs/dbraw/zinc/03/34/43/509033443.db2.gz SDVHHTSFKMCBTC-HOTGVXAUSA-N 1 0 372.419 2.854 20 70 FFIDRO CC(=O)N1CCCc2cc(NC(=O)N[C@@H](C)C[NH+]3CCCCC3)ccc21 ZINC000160867991 509041202 /nfs/dbraw/zinc/04/12/02/509041202.db2.gz YJMGRRAIPONSFO-HNNXBMFYSA-N 1 0 358.486 2.982 20 70 FFIDRO Cc1conc1NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000160883988 509043925 /nfs/dbraw/zinc/04/39/25/509043925.db2.gz KHRCXLVXTJAVAH-UHFFFAOYSA-N 1 0 370.453 2.614 20 70 FFIDRO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160928618 509049725 /nfs/dbraw/zinc/04/97/25/509049725.db2.gz NXDLUJNYBVKWJD-DNVCBOLYSA-N 1 0 366.889 2.592 20 70 FFIDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000160937319 509050384 /nfs/dbraw/zinc/05/03/84/509050384.db2.gz MQVWWHZUESDWAM-OTWHNJEPSA-N 1 0 373.497 2.843 20 70 FFIDRO Cc1cc(OCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc(C)c1Cl ZINC000160947277 509051567 /nfs/dbraw/zinc/05/15/67/509051567.db2.gz HVMZZDCHUQQSIM-INIZCTEOSA-N 1 0 366.889 2.516 20 70 FFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000161010832 509059287 /nfs/dbraw/zinc/05/92/87/509059287.db2.gz ZSJUYVSJZFTGNO-HOTGVXAUSA-N 1 0 366.531 2.737 20 70 FFIDRO Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cnn1C1CCOCC1 ZINC000161017979 509060497 /nfs/dbraw/zinc/06/04/97/509060497.db2.gz MBORLYDZLVEHIF-MGPUTAFESA-N 1 0 362.518 2.783 20 70 FFIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(Cl)s1 ZINC000161027159 509061345 /nfs/dbraw/zinc/06/13/45/509061345.db2.gz HRMHXUFMIXZTOH-ZDUSSCGKSA-N 1 0 365.886 2.858 20 70 FFIDRO COCC[C@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161040617 509063952 /nfs/dbraw/zinc/06/39/52/509063952.db2.gz ULZVOEDHNQJDRK-ZDUSSCGKSA-N 1 0 357.292 2.812 20 70 FFIDRO CCN(CC)Cc1nc(C2(NC(=O)C[C@H](C)SC)CCCC2)no1 ZINC000161078527 509068043 /nfs/dbraw/zinc/06/80/43/509068043.db2.gz MRQKWRGKERGOSY-ZDUSSCGKSA-N 1 0 354.520 2.939 20 70 FFIDRO CCC(=O)N1CC[C@H](C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000161103604 509072214 /nfs/dbraw/zinc/07/22/14/509072214.db2.gz QRIJJUJBLVQTDN-OALUTQOASA-N 1 0 357.498 2.507 20 70 FFIDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cn(-c2ccccc2)nn1 ZINC000161124541 509074888 /nfs/dbraw/zinc/07/48/88/509074888.db2.gz BVSJQVSYGFETPZ-JKSUJKDBSA-N 1 0 368.485 2.644 20 70 FFIDRO COCCCOc1cccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000161139576 509076050 /nfs/dbraw/zinc/07/60/50/509076050.db2.gz JLHQNGMAHJFDGS-UHFFFAOYSA-N 1 0 363.502 2.585 20 70 FFIDRO NC(=O)N1CCC([NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000161143091 509076912 /nfs/dbraw/zinc/07/69/12/509076912.db2.gz RBTTZMXBRUNJEL-INIZCTEOSA-N 1 0 368.884 2.576 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000161167089 509079599 /nfs/dbraw/zinc/07/95/99/509079599.db2.gz GYCJUZUTIHNCPA-UHFFFAOYSA-N 1 0 370.291 2.611 20 70 FFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000161166052 509079768 /nfs/dbraw/zinc/07/97/68/509079768.db2.gz JAJKKCKRBRPXMV-JKSUJKDBSA-N 1 0 363.502 2.885 20 70 FFIDRO COc1cccc([C@@H](C[NH2+]C2CCC(NC(C)=O)CC2)N2CCCC2)c1 ZINC000161243473 509091643 /nfs/dbraw/zinc/09/16/43/509091643.db2.gz DIPNDXQMMHZHQH-GZNCHQMQSA-N 1 0 359.514 2.869 20 70 FFIDRO O=C(c1ccc(F)cc1F)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161318639 509101454 /nfs/dbraw/zinc/10/14/54/509101454.db2.gz YBEFJAGPCTTWOQ-UHFFFAOYSA-N 1 0 351.441 2.599 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H](CO)CC(C)(C)C)CC1 ZINC000161339942 509104792 /nfs/dbraw/zinc/10/47/92/509104792.db2.gz AKWLEIQOGASXFK-QAPCUYQASA-N 1 0 362.518 2.703 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000161404854 509112518 /nfs/dbraw/zinc/11/25/18/509112518.db2.gz IUQIUZKVXOIHIZ-KRWDZBQOSA-N 1 0 374.529 2.997 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(OC)cc32)c1 ZINC000161426336 509114533 /nfs/dbraw/zinc/11/45/33/509114533.db2.gz YKDYLZIQHKPOBF-BFUOFWGJSA-N 1 0 360.479 2.941 20 70 FFIDRO O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161430851 509115115 /nfs/dbraw/zinc/11/51/15/509115115.db2.gz SOLOMBSCXRVPBU-ZFWWWQNUSA-N 1 0 367.795 2.715 20 70 FFIDRO O=C(CN1CCC([C@H](O)C(F)(F)F)CC1)N1CCCc2ccccc21 ZINC000161494749 509122099 /nfs/dbraw/zinc/12/20/99/509122099.db2.gz ICAGKHOKODKOAI-KRWDZBQOSA-N 1 0 356.388 2.601 20 70 FFIDRO O=C1[C@@H](N2CCC([C@@H](O)C(F)(F)F)CC2)CCN1c1ccccc1F ZINC000161510333 509123084 /nfs/dbraw/zinc/12/30/84/509123084.db2.gz KDKFWMQDKQIUAQ-LSDHHAIUSA-N 1 0 360.351 2.566 20 70 FFIDRO Cc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000161509485 509123208 /nfs/dbraw/zinc/12/32/08/509123208.db2.gz DDPFWVALXREEMA-UHFFFAOYSA-N 1 0 358.873 2.595 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](COC)C2CC2)cc1 ZINC000159397368 508836566 /nfs/dbraw/zinc/83/65/66/508836566.db2.gz PGSUMRAETHPFAT-KSSFIOAISA-N 1 0 354.516 2.793 20 70 FFIDRO O=C(c1cccnc1Oc1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000159429707 508840415 /nfs/dbraw/zinc/84/04/15/508840415.db2.gz MHTHXGSMBNKSCC-UHFFFAOYSA-N 1 0 362.227 2.682 20 70 FFIDRO CC[C@H](C)NC(=O)CCNC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159451234 508844042 /nfs/dbraw/zinc/84/40/42/508844042.db2.gz XHRZJIGEFTXPHX-HKUYNNGSSA-N 1 0 374.529 2.597 20 70 FFIDRO Cc1cc(NC(=O)CC[NH+]2CCN([C@H](C)c3cccc(F)c3)CC2)no1 ZINC000159473823 508846752 /nfs/dbraw/zinc/84/67/52/508846752.db2.gz BMOSRQGXLVFVKF-OAHLLOKOSA-N 1 0 360.433 2.830 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc3ccccc32)C1 ZINC000159477307 508847836 /nfs/dbraw/zinc/84/78/36/508847836.db2.gz DQNVHASLBPZSIB-MRXNPFEDSA-N 1 0 353.466 2.872 20 70 FFIDRO Cc1ccc(O[C@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000159510902 508851540 /nfs/dbraw/zinc/85/15/40/508851540.db2.gz HLNJMPAOGUHOFE-MCIONIFRSA-N 1 0 367.287 2.878 20 70 FFIDRO O=C(Cc1ccc(OCc2ccccn2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000159528085 508853635 /nfs/dbraw/zinc/85/36/35/508853635.db2.gz HVBLTWOBIVJKSG-UHFFFAOYSA-N 1 0 365.477 2.757 20 70 FFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000159543350 508856163 /nfs/dbraw/zinc/85/61/63/508856163.db2.gz NHCLIZPPFSBGMU-GXTWGEPZSA-N 1 0 366.387 2.977 20 70 FFIDRO C[N@@H+](CC(=O)NCc1ccccc1OC1CCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159579444 508861663 /nfs/dbraw/zinc/86/16/63/508861663.db2.gz FOMVTTWAFDSDBQ-HKUYNNGSSA-N 1 0 360.498 2.717 20 70 FFIDRO COCCCOc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000159611616 508865399 /nfs/dbraw/zinc/86/53/99/508865399.db2.gz CNEFCRYUSLXMNF-KRWDZBQOSA-N 1 0 363.502 2.776 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)cc1 ZINC000159656202 508871749 /nfs/dbraw/zinc/87/17/49/508871749.db2.gz UKIWALGUKIWIHS-UHFFFAOYSA-N 1 0 365.477 2.801 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000159659763 508872574 /nfs/dbraw/zinc/87/25/74/508872574.db2.gz GVRFWCITGKTFDV-IBGZPJMESA-N 1 0 371.456 2.537 20 70 FFIDRO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000159787507 508891280 /nfs/dbraw/zinc/89/12/80/508891280.db2.gz VUBDGMKIWMCKCT-GFCCVEGCSA-N 1 0 350.406 2.960 20 70 FFIDRO COc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@@H](C)C2)[NH+](C)C)cc1OC ZINC000159802245 508892563 /nfs/dbraw/zinc/89/25/63/508892563.db2.gz WZKCJLKHEGECNW-ZOBUZTSGSA-N 1 0 363.502 2.994 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159833423 508898705 /nfs/dbraw/zinc/89/87/05/508898705.db2.gz WFFAURRDVGQTQA-AEFFLSMTSA-N 1 0 361.486 2.680 20 70 FFIDRO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159848856 508899897 /nfs/dbraw/zinc/89/98/97/508899897.db2.gz LDZJOHHDTPTDMA-HOTGVXAUSA-N 1 0 358.486 2.820 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccnn2CC)cc1 ZINC000159897818 508908247 /nfs/dbraw/zinc/90/82/47/508908247.db2.gz HTRJSHGJTXBAQT-OAHLLOKOSA-N 1 0 364.515 2.784 20 70 FFIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000159922962 508911881 /nfs/dbraw/zinc/91/18/81/508911881.db2.gz ASSBAPDWNCCXKS-HUUCEWRRSA-N 1 0 367.428 2.762 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000159955641 508916692 /nfs/dbraw/zinc/91/66/92/508916692.db2.gz SPQAXAQFKRUQPI-MRXNPFEDSA-N 1 0 350.894 2.656 20 70 FFIDRO O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159992776 508921756 /nfs/dbraw/zinc/92/17/56/508921756.db2.gz NWAFHXMJJALLLX-AWEZNQCLSA-N 1 0 359.297 2.889 20 70 FFIDRO COc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc(OC)c1O ZINC000160005898 508924388 /nfs/dbraw/zinc/92/43/88/508924388.db2.gz RXLDESDLDUIMQT-INIZCTEOSA-N 1 0 364.486 2.896 20 70 FFIDRO O=C(Nc1nnc(C2CC2)s1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000160068993 508933427 /nfs/dbraw/zinc/93/34/27/508933427.db2.gz JHIQESVIHFYQPV-UHFFFAOYSA-N 1 0 372.494 2.872 20 70 FFIDRO C[NH+](C)CCCC1CCN(C(=O)NCCc2cn3ccccc3n2)CC1 ZINC000160097652 508938084 /nfs/dbraw/zinc/93/80/84/508938084.db2.gz JVWAKQUVLIQOMR-UHFFFAOYSA-N 1 0 357.502 2.640 20 70 FFIDRO CC(C)CC[C@H]1CCC(=O)N(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000160122428 508941377 /nfs/dbraw/zinc/94/13/77/508941377.db2.gz RYDGDGJOROILPH-ICSRJNTNSA-N 1 0 372.509 2.607 20 70 FFIDRO CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)c1 ZINC000160162170 508947820 /nfs/dbraw/zinc/94/78/20/508947820.db2.gz QKMKVLRPYFTSPJ-OAHLLOKOSA-N 1 0 374.462 2.963 20 70 FFIDRO CCCCn1ncc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000160164976 508948329 /nfs/dbraw/zinc/94/83/29/508948329.db2.gz ZFDLYFQXKQHNLH-MRXNPFEDSA-N 1 0 363.506 2.614 20 70 FFIDRO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000160228925 508957614 /nfs/dbraw/zinc/95/76/14/508957614.db2.gz HTNFZFFOEMPEKA-FJIDUMEYSA-N 1 0 351.535 2.508 20 70 FFIDRO Cc1ccc(OCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000160243353 508959300 /nfs/dbraw/zinc/95/93/00/508959300.db2.gz LATUNMRBKNWNDM-WOJBJXKFSA-N 1 0 374.525 2.956 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000160256873 508961551 /nfs/dbraw/zinc/96/15/51/508961551.db2.gz VVJPULXGQHCNNO-INIZCTEOSA-N 1 0 360.502 2.609 20 70 FFIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160289851 508965554 /nfs/dbraw/zinc/96/55/54/508965554.db2.gz MMFCDCUZNYZKQP-FRRDWIJNSA-N 1 0 361.412 2.933 20 70 FFIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000160293284 508965953 /nfs/dbraw/zinc/96/59/53/508965953.db2.gz MNTZIMMILVAYHS-FZMZJTMJSA-N 1 0 354.907 2.994 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(F)c(F)c(F)c1 ZINC000160299146 508966501 /nfs/dbraw/zinc/96/65/01/508966501.db2.gz PEMRWBUHBPFRNZ-JKSUJKDBSA-N 1 0 356.388 2.602 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000160303840 508967516 /nfs/dbraw/zinc/96/75/16/508967516.db2.gz FWJVYJVVDJYODO-INIZCTEOSA-N 1 0 351.450 2.898 20 70 FFIDRO COCCN(CC(F)F)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160322050 508970428 /nfs/dbraw/zinc/97/04/28/508970428.db2.gz JOKZZPQLXBVBHY-GOEBONIOSA-N 1 0 355.429 2.573 20 70 FFIDRO CCN1CC[NH+](CCCCNC(=O)C2(c3ccc(C)c(OC)c3)CC2)CC1 ZINC000160347688 508974079 /nfs/dbraw/zinc/97/40/79/508974079.db2.gz SDTNDHALJCCOTK-UHFFFAOYSA-N 1 0 373.541 2.569 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000160369951 508977107 /nfs/dbraw/zinc/97/71/07/508977107.db2.gz OGIKMJYUKADPEV-KRWDZBQOSA-N 1 0 359.514 2.905 20 70 FFIDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160374060 508977528 /nfs/dbraw/zinc/97/75/28/508977528.db2.gz DWUVGQHVYNRHDX-AWEZNQCLSA-N 1 0 369.391 2.740 20 70 FFIDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000160382192 508978628 /nfs/dbraw/zinc/97/86/28/508978628.db2.gz GXWVZYNDQRHFKW-FQEVSTJZSA-N 1 0 361.449 2.834 20 70 FFIDRO COc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1Cl ZINC000160382082 508978751 /nfs/dbraw/zinc/97/87/51/508978751.db2.gz FYQZCIDERYWAOD-ZDUSSCGKSA-N 1 0 353.894 2.552 20 70 FFIDRO COc1ccc(Nc2nc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cs2)cc1 ZINC000160390951 508979999 /nfs/dbraw/zinc/97/99/99/508979999.db2.gz NRQQEAPPZNYKOQ-OKILXGFUSA-N 1 0 358.467 2.862 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000160407110 508982633 /nfs/dbraw/zinc/98/26/33/508982633.db2.gz HUSYINOFUFRFET-DNVCBOLYSA-N 1 0 367.559 2.756 20 70 FFIDRO COc1ccccc1[C@H]1CCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000160423987 508985054 /nfs/dbraw/zinc/98/50/54/508985054.db2.gz AKABAKZJMKJIRA-MRXNPFEDSA-N 1 0 357.454 2.697 20 70 FFIDRO Cn1cnc2cc(C(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)cnc21 ZINC000160447637 508988547 /nfs/dbraw/zinc/98/85/47/508988547.db2.gz NVYHTXUIHGPMRK-QGZVFWFLSA-N 1 0 355.486 2.743 20 70 FFIDRO O=C(COc1ccc(Cl)cc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160445628 508988557 /nfs/dbraw/zinc/98/85/57/508988557.db2.gz XQJSVWDZJRNYQK-MSOLQXFVSA-N 1 0 366.889 2.603 20 70 FFIDRO O=C(COc1ccc(Cl)cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160446008 508988584 /nfs/dbraw/zinc/98/85/84/508988584.db2.gz XQJSVWDZJRNYQK-ZWKOTPCHSA-N 1 0 366.889 2.603 20 70 FFIDRO COc1cccc(F)c1[C@H](C)NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160467408 508991354 /nfs/dbraw/zinc/99/13/54/508991354.db2.gz LTAQUTIUZKMVCA-YJBOKZPZSA-N 1 0 373.472 2.904 20 70 FFIDRO COC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc(C(F)(F)F)c1 ZINC000160467123 508991630 /nfs/dbraw/zinc/99/16/30/508991630.db2.gz QYEPSXNZVWKCQT-CABCVRRESA-N 1 0 354.376 2.897 20 70 FFIDRO C[C@H](Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160495239 508994572 /nfs/dbraw/zinc/99/45/72/508994572.db2.gz PSOCZJQVSAKSPV-YSGRDPCXSA-N 1 0 362.489 2.888 20 70 FFIDRO COc1ccccc1CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160559332 509002533 /nfs/dbraw/zinc/00/25/33/509002533.db2.gz BBRFVJMSRYXFSJ-MOPGFXCFSA-N 1 0 360.498 2.512 20 70 FFIDRO CCSc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000160590032 509006601 /nfs/dbraw/zinc/00/66/01/509006601.db2.gz YLOKFMUJSGQWMT-IRXDYDNUSA-N 1 0 363.527 2.691 20 70 FFIDRO O=C(CCc1c[nH]c2ccccc12)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160592938 509007345 /nfs/dbraw/zinc/00/73/45/509007345.db2.gz HDHIGSFTGLZXEO-SFTDATJTSA-N 1 0 369.509 2.985 20 70 FFIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160594803 509007859 /nfs/dbraw/zinc/00/78/59/509007859.db2.gz RMQPCCFOIXUYHS-CYBMUJFWSA-N 1 0 358.529 2.536 20 70 FFIDRO Cc1cc(CSc2ncccc2C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)no1 ZINC000160613794 509009822 /nfs/dbraw/zinc/00/98/22/509009822.db2.gz UCMXGLJXWBJWDE-OKILXGFUSA-N 1 0 358.467 2.637 20 70 FFIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160628207 509012400 /nfs/dbraw/zinc/01/24/00/509012400.db2.gz HWTXDKUHSZACNA-PBHICJAKSA-N 1 0 372.431 2.847 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160658274 509015776 /nfs/dbraw/zinc/01/57/76/509015776.db2.gz JOHDCGCLQSGYRV-GVDBMIGSSA-N 1 0 370.415 2.772 20 70 FFIDRO COc1cccc(N2CC[NH+](Cc3ccc(-n4cncn4)c(C)c3)CC2)c1 ZINC000160682642 509019124 /nfs/dbraw/zinc/01/91/24/509019124.db2.gz KQDQXFPQJKHRAA-UHFFFAOYSA-N 1 0 363.465 2.907 20 70 FFIDRO Cc1nc(CCNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)sc1C ZINC000160733341 509026066 /nfs/dbraw/zinc/02/60/66/509026066.db2.gz QBAZICJHAPNTLH-KRWDZBQOSA-N 1 0 360.527 2.775 20 70 FFIDRO Cc1cc(C)cc(CCC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000160750802 509028278 /nfs/dbraw/zinc/02/82/78/509028278.db2.gz DGCDOMMBMRJFNT-FCHUYYIVSA-N 1 0 366.505 2.988 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)nc2)CC1 ZINC000160789301 509033304 /nfs/dbraw/zinc/03/33/04/509033304.db2.gz DYHPENMTSLZGFT-WBVHZDCISA-N 1 0 372.419 2.854 20 70 FFIDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160804133 509034949 /nfs/dbraw/zinc/03/49/49/509034949.db2.gz LPPMEVGDPROHEP-CQSZACIVSA-N 1 0 368.403 2.957 20 70 FFIDRO COCc1cc(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n2ncnc2n1 ZINC000160808387 509035848 /nfs/dbraw/zinc/03/58/48/509035848.db2.gz KSMIKGIVGGIMOI-HXUWFJFHSA-N 1 0 366.469 2.737 20 70 FFIDRO C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cn(-c2ccccc2)nn1 ZINC000160900903 509045670 /nfs/dbraw/zinc/04/56/70/509045670.db2.gz FCMPUOYFHXDEJC-YJBOKZPZSA-N 1 0 372.517 2.994 20 70 FFIDRO Cc1ccsc1[C@H](CO)NC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000160940454 509051237 /nfs/dbraw/zinc/05/12/37/509051237.db2.gz CUBAZHVZPVZGJP-HOTGVXAUSA-N 1 0 353.532 2.900 20 70 FFIDRO COc1ccc(CNC(=O)CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000160957570 509053151 /nfs/dbraw/zinc/05/31/51/509053151.db2.gz PVSAWIVUFMPJMS-UHFFFAOYSA-N 1 0 359.514 2.698 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000160999075 509058781 /nfs/dbraw/zinc/05/87/81/509058781.db2.gz DCHLDPRPGAVXNV-ONEGZZNKSA-N 1 0 364.873 2.973 20 70 FFIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cnn(C3CCOCC3)c2C)o1 ZINC000161011669 509059541 /nfs/dbraw/zinc/05/95/41/509059541.db2.gz RFFKDJBTEFWDMJ-UHFFFAOYSA-N 1 0 374.485 2.648 20 70 FFIDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2CCC(C)(C)CC2)CC1 ZINC000161048328 509064593 /nfs/dbraw/zinc/06/45/93/509064593.db2.gz VVVJKGALZTZUSW-UHFFFAOYSA-N 1 0 365.562 2.946 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc2)n1 ZINC000161059995 509065934 /nfs/dbraw/zinc/06/59/34/509065934.db2.gz BDEJBCMHPZJKEX-INIZCTEOSA-N 1 0 358.490 2.970 20 70 FFIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161100874 509071207 /nfs/dbraw/zinc/07/12/07/509071207.db2.gz CSCPWOCWYCJODP-RDJZCZTQSA-N 1 0 361.486 2.699 20 70 FFIDRO CCC(=O)N1CC[C@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000161104595 509071927 /nfs/dbraw/zinc/07/19/27/509071927.db2.gz JEHUFFGGIQBVDL-FQEVSTJZSA-N 1 0 371.525 2.937 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)CCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000161118369 509073297 /nfs/dbraw/zinc/07/32/97/509073297.db2.gz HOPDTWMIFXDKSD-UHFFFAOYSA-N 1 0 367.493 2.808 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)NCC3(C[NH+](C)C)CCCC3)cc2)n1 ZINC000161116670 509073454 /nfs/dbraw/zinc/07/34/54/509073454.db2.gz RXXUTDZBAWAXDK-UHFFFAOYSA-N 1 0 356.474 2.726 20 70 FFIDRO CC1(C(=O)NCc2ccc(C(N)=O)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000161114452 509073701 /nfs/dbraw/zinc/07/37/01/509073701.db2.gz LOGJIQCHBMUCFB-UHFFFAOYSA-N 1 0 365.477 2.704 20 70 FFIDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cn(-c2ccccc2)nn1 ZINC000161124911 509074739 /nfs/dbraw/zinc/07/47/39/509074739.db2.gz BVSJQVSYGFETPZ-CVEARBPZSA-N 1 0 368.485 2.644 20 70 FFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000161190456 509083214 /nfs/dbraw/zinc/08/32/14/509083214.db2.gz SIFKGCQDIBDRIB-MAUKXSAKSA-N 1 0 353.532 2.973 20 70 FFIDRO CC(C)(C)[C@H](CCO)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000161207644 509085549 /nfs/dbraw/zinc/08/55/49/509085549.db2.gz AVRMDYQFDZTIPZ-WBVHZDCISA-N 1 0 351.491 2.903 20 70 FFIDRO CCN(c1ccccc1)c1ccc(CNC(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000161210738 509086744 /nfs/dbraw/zinc/08/67/44/509086744.db2.gz RQPWMINUFRMGAR-HXUWFJFHSA-N 1 0 353.466 2.839 20 70 FFIDRO C[N@H+](CCC1CCOCC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161222136 509087970 /nfs/dbraw/zinc/08/79/70/509087970.db2.gz BWLWWXNULBACES-OAHLLOKOSA-N 1 0 355.276 2.724 20 70 FFIDRO COCC[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000161310976 509100893 /nfs/dbraw/zinc/10/08/93/509100893.db2.gz KIRSSXVSZJYGNS-UHFFFAOYSA-N 1 0 364.287 2.761 20 70 FFIDRO COc1ccc(C2(C[NH2+]C3CCC(NC(C)=O)CC3)CCOCC2)cc1 ZINC000161356696 509106002 /nfs/dbraw/zinc/10/60/02/509106002.db2.gz WIQIEQBLMIEDSF-UHFFFAOYSA-N 1 0 360.498 2.780 20 70 FFIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000161377325 509108476 /nfs/dbraw/zinc/10/84/76/509108476.db2.gz XWMXWQTURMWAIH-MRXNPFEDSA-N 1 0 352.500 2.819 20 70 FFIDRO CC(=O)NC1CCC([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)CC1 ZINC000161412282 509113469 /nfs/dbraw/zinc/11/34/69/509113469.db2.gz ZOLCHKKXTOEUTN-UHFFFAOYSA-N 1 0 366.465 2.871 20 70 FFIDRO Cc1nc(-c2cccc(NC(=O)N[C@H]3CCN(c4ccccn4)C3)c2)no1 ZINC000161446760 509116402 /nfs/dbraw/zinc/11/64/02/509116402.db2.gz QVJGRVLEVAWCLG-INIZCTEOSA-N 1 0 364.409 2.840 20 70 FFIDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000161480182 509120606 /nfs/dbraw/zinc/12/06/06/509120606.db2.gz NEVXQWVSVHMDEG-CQSZACIVSA-N 1 0 357.429 2.939 20 70 FFIDRO CC[C@@H](NC(=O)Nc1ccc(CCN2CCOCC2)cc1)[C@H]1CCCO1 ZINC000161490156 509121254 /nfs/dbraw/zinc/12/12/54/509121254.db2.gz ROAHGZYCQYYYQD-RTBURBONSA-N 1 0 361.486 2.640 20 70 FFIDRO O[C@H](CNc1cc(Br)ccn1)C[N@@H+]1CCc2ccccc2C1 ZINC000218392314 509277026 /nfs/dbraw/zinc/27/70/26/509277026.db2.gz XZDPVJZEHQPTKP-MRXNPFEDSA-N 1 0 362.271 2.675 20 70 FFIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(F)c(Br)c1 ZINC000160531230 508999324 /nfs/dbraw/zinc/99/93/24/508999324.db2.gz ARCAFODYIJQOBB-SSDOTTSWSA-N 1 0 357.145 2.917 20 70 FFIDRO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000159426967 508840602 /nfs/dbraw/zinc/84/06/02/508840602.db2.gz OKOBNAPFCWIUKU-ACJLOTCBSA-N 1 0 357.433 2.565 20 70 FFIDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000159425229 508840853 /nfs/dbraw/zinc/84/08/53/508840853.db2.gz DDUUVFWVBUMCGS-INIZCTEOSA-N 1 0 368.543 2.632 20 70 FFIDRO CC(C)C(=O)NCCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159484061 508848525 /nfs/dbraw/zinc/84/85/25/508848525.db2.gz RBYAUXVSJGGMRK-UHFFFAOYSA-N 1 0 359.514 2.567 20 70 FFIDRO Cc1c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cnn1C1CCOCC1 ZINC000159538008 508854660 /nfs/dbraw/zinc/85/46/60/508854660.db2.gz FYAQKEKXDDJYLX-LJQANCHMSA-N 1 0 374.460 2.715 20 70 FFIDRO COc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1Cn1cccn1 ZINC000159556269 508858413 /nfs/dbraw/zinc/85/84/13/508858413.db2.gz CPXATZQZXOZTEQ-MRXNPFEDSA-N 1 0 356.470 2.603 20 70 FFIDRO Cc1nc(Cl)ccc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000159569475 508859831 /nfs/dbraw/zinc/85/98/31/508859831.db2.gz JYLUNCZZPLURFX-UHFFFAOYSA-N 1 0 351.878 2.760 20 70 FFIDRO C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000159629940 508868701 /nfs/dbraw/zinc/86/87/01/508868701.db2.gz GNDHPMSWYPLNEI-BBRMVZONSA-N 1 0 352.425 2.860 20 70 FFIDRO CCN(CC(=O)NC(C)C)C(=O)C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000159637352 508869457 /nfs/dbraw/zinc/86/94/57/508869457.db2.gz MBDZJZYPBXDLOZ-UHFFFAOYSA-N 1 0 353.894 2.538 20 70 FFIDRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N2CCC[N@H+](CC)CC2)c1 ZINC000159691167 508876490 /nfs/dbraw/zinc/87/64/90/508876490.db2.gz NUOSJCQUPQATKN-MRXNPFEDSA-N 1 0 360.502 2.908 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000159725929 508880520 /nfs/dbraw/zinc/88/05/20/508880520.db2.gz VOLBBGZOZFOAIO-UHFFFAOYSA-N 1 0 370.291 2.565 20 70 FFIDRO CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000159731963 508881716 /nfs/dbraw/zinc/88/17/16/508881716.db2.gz VSEBIJLGQWOUOI-INIZCTEOSA-N 1 0 351.535 2.700 20 70 FFIDRO CCC[C@@H]1CN(C(=O)Nc2cc(F)c(OC)c(F)c2)CC[N@@H+]1CCOC ZINC000159736783 508882538 /nfs/dbraw/zinc/88/25/38/508882538.db2.gz CZVPDYARQLKAPX-CQSZACIVSA-N 1 0 371.428 2.938 20 70 FFIDRO CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000159769655 508888081 /nfs/dbraw/zinc/88/80/81/508888081.db2.gz HXOUIPFACYFUED-IBGZPJMESA-N 1 0 371.525 2.764 20 70 FFIDRO O=C(c1cn(-c2ccccc2Cl)nn1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159780582 508889424 /nfs/dbraw/zinc/88/94/24/508889424.db2.gz VBXRTRFRNRRNPO-UHFFFAOYSA-N 1 0 359.861 2.525 20 70 FFIDRO O=C(N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000159829441 508897822 /nfs/dbraw/zinc/89/78/22/508897822.db2.gz HJFAJSJPRNZGQB-IFXJQAMLSA-N 1 0 372.852 2.926 20 70 FFIDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000159869974 508903377 /nfs/dbraw/zinc/90/33/77/508903377.db2.gz RXAMYSZGCIHBHW-RXVVDRJESA-N 1 0 369.465 2.925 20 70 FFIDRO Cc1cnccc1CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000159884151 508905633 /nfs/dbraw/zinc/90/56/33/508905633.db2.gz NLJAPLKCUXZOPF-FXAWDEMLSA-N 1 0 352.482 2.752 20 70 FFIDRO CCOC(=O)CC[C@H](C)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159889737 508906655 /nfs/dbraw/zinc/90/66/55/508906655.db2.gz OLOMQILRVPUNTP-XYJFISCASA-N 1 0 361.486 2.538 20 70 FFIDRO CCC[N@H+](CC)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000159914942 508911180 /nfs/dbraw/zinc/91/11/80/508911180.db2.gz VYTMVTMJFGXNRQ-UHFFFAOYSA-N 1 0 350.413 2.921 20 70 FFIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N3CCC[N@H+](CC)CC3)ccc2NC1=O ZINC000159936053 508914124 /nfs/dbraw/zinc/91/41/24/508914124.db2.gz OHGMAMDSMCIWEW-PBHICJAKSA-N 1 0 374.485 2.594 20 70 FFIDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CC1 ZINC000159954123 508916767 /nfs/dbraw/zinc/91/67/67/508916767.db2.gz IVHGNFGVJBDTFP-UHFFFAOYSA-N 1 0 360.502 2.693 20 70 FFIDRO CCc1c(C(=O)NCc2ccccc2C[NH+](CC)CC)[nH]c(C)c1C(N)=O ZINC000159966470 508918470 /nfs/dbraw/zinc/91/84/70/508918470.db2.gz RIFGGBGCAWXQGB-UHFFFAOYSA-N 1 0 370.497 2.756 20 70 FFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000160058834 508931815 /nfs/dbraw/zinc/93/18/15/508931815.db2.gz MGBRBHDQBDNDOB-LSDHHAIUSA-N 1 0 351.491 2.741 20 70 FFIDRO O=C1CCC(=O)N1CC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000160066983 508933242 /nfs/dbraw/zinc/93/32/42/508933242.db2.gz DJJMGSDXWRWJGX-UHFFFAOYSA-N 1 0 366.461 2.609 20 70 FFIDRO Cc1ccc(-c2cncc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)c2)cc1 ZINC000160077703 508935355 /nfs/dbraw/zinc/93/53/55/508935355.db2.gz OXAORHGXCCERBR-HXUWFJFHSA-N 1 0 353.466 2.634 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000160125833 508942327 /nfs/dbraw/zinc/94/23/27/508942327.db2.gz BYSKEMWYASBPSO-GOSISDBHSA-N 1 0 367.534 2.872 20 70 FFIDRO CC[C@H](c1ccncc1)N(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160146208 508945174 /nfs/dbraw/zinc/94/51/74/508945174.db2.gz IQNWFEJJSPHZIZ-UXHICEINSA-N 1 0 354.498 2.884 20 70 FFIDRO C[C@H](CNC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000160160027 508947495 /nfs/dbraw/zinc/94/74/95/508947495.db2.gz VTYZXOKVOCIPLT-LSDHHAIUSA-N 1 0 371.447 2.636 20 70 FFIDRO CCCCCNC(=O)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000160187198 508951555 /nfs/dbraw/zinc/95/15/55/508951555.db2.gz GGGVTRBSSZZGKJ-UHFFFAOYSA-N 1 0 359.514 2.907 20 70 FFIDRO COc1c(C)cc(C[N@H+](C)[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1C ZINC000160195736 508952854 /nfs/dbraw/zinc/95/28/54/508952854.db2.gz ZQKKBPOXHNRFGM-SFHVURJKSA-N 1 0 356.470 2.673 20 70 FFIDRO C[C@@H](CNC(=O)NCCOc1ncccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000160202131 508953295 /nfs/dbraw/zinc/95/32/95/508953295.db2.gz GGLXOWJCXQPYNI-KGLIPLIRSA-N 1 0 354.882 2.533 20 70 FFIDRO CC(C)c1cc(C(=O)NCCC[NH+]2CCC(O)CC2)nn1-c1ccccc1 ZINC000160219348 508956092 /nfs/dbraw/zinc/95/60/92/508956092.db2.gz VIQDQWFIWNAIPF-UHFFFAOYSA-N 1 0 370.497 2.572 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(-c2cccc(Cl)c2)no1 ZINC000160239481 508959330 /nfs/dbraw/zinc/95/93/30/508959330.db2.gz XGKJACCSFBOLTA-OAHLLOKOSA-N 1 0 363.845 2.572 20 70 FFIDRO C[C@@H](O)C[C@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000160274511 508963968 /nfs/dbraw/zinc/96/39/68/508963968.db2.gz SOPMFQICIVYMDQ-UYAOXDASSA-N 1 0 374.525 2.692 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)c(F)c(F)c1 ZINC000160298753 508966274 /nfs/dbraw/zinc/96/62/74/508966274.db2.gz PEMRWBUHBPFRNZ-CVEARBPZSA-N 1 0 356.388 2.602 20 70 FFIDRO COc1ccccc1/C(C)=C/C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160297688 508966346 /nfs/dbraw/zinc/96/63/46/508966346.db2.gz SKSJYZVWWBCCFU-LOVRKWTRSA-N 1 0 372.509 2.983 20 70 FFIDRO COCCN(CC(F)F)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160321932 508970311 /nfs/dbraw/zinc/97/03/11/508970311.db2.gz JOKZZPQLXBVBHY-GDBMZVCRSA-N 1 0 355.429 2.573 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(C2CC2)nc2ccccc21 ZINC000160400621 508981689 /nfs/dbraw/zinc/98/16/89/508981689.db2.gz XXQQMCSDNWKNNO-INIZCTEOSA-N 1 0 353.466 2.689 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000160427817 508985229 /nfs/dbraw/zinc/98/52/29/508985229.db2.gz NPBKWCFAXXGGCU-GVDBMIGSSA-N 1 0 370.415 2.772 20 70 FFIDRO CC(C)Oc1cccc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160440190 508987911 /nfs/dbraw/zinc/98/79/11/508987911.db2.gz NQVJFJUBFDSDAO-SFTDATJTSA-N 1 0 374.525 2.900 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000160453074 508989155 /nfs/dbraw/zinc/98/91/55/508989155.db2.gz YFYXYGPNRYHBEA-ZDUSSCGKSA-N 1 0 372.435 2.951 20 70 FFIDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160463556 508990453 /nfs/dbraw/zinc/99/04/53/508990453.db2.gz KIUKOUHEIXYGQJ-APWZRJJASA-N 1 0 361.486 2.843 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000160465175 508990462 /nfs/dbraw/zinc/99/04/62/508990462.db2.gz OZULFTCITZYZLZ-WMQCIHAUSA-N 1 0 352.478 2.906 20 70 FFIDRO O=C(CCCOc1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160480736 508992993 /nfs/dbraw/zinc/99/29/93/508992993.db2.gz XNCDKYVCAUIOJX-WOJBJXKFSA-N 1 0 360.498 2.730 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)C1 ZINC000160492466 508994808 /nfs/dbraw/zinc/99/48/08/508994808.db2.gz JCIGQQCOKTWLNY-AWEZNQCLSA-N 1 0 364.515 2.633 20 70 FFIDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000160581306 509006005 /nfs/dbraw/zinc/00/60/05/509006005.db2.gz ROQGTXWVQCQNLF-INIZCTEOSA-N 1 0 359.514 2.953 20 70 FFIDRO C[C@H](Cc1ccccc1F)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160590769 509006804 /nfs/dbraw/zinc/00/68/04/509006804.db2.gz AAOOJHSCBDBLOF-XPGWFJOJSA-N 1 0 362.489 2.888 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H](OC1CCCC1)c1ccccc1 ZINC000160591804 509007623 /nfs/dbraw/zinc/00/76/23/509007623.db2.gz LRSMGPWPEHGQBG-AZUAARDMSA-N 1 0 360.498 2.650 20 70 FFIDRO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160613038 509010241 /nfs/dbraw/zinc/01/02/41/509010241.db2.gz XPRVGTWWWNYFII-GASCZTMLSA-N 1 0 353.470 2.856 20 70 FFIDRO CC[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1F ZINC000160654885 509015221 /nfs/dbraw/zinc/01/52/21/509015221.db2.gz KWNOVXXGTGJWDI-QGZVFWFLSA-N 1 0 354.422 2.896 20 70 FFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000160655762 509015493 /nfs/dbraw/zinc/01/54/93/509015493.db2.gz MFFUVQDVXZCQDC-PMACEKPBSA-N 1 0 357.498 2.862 20 70 FFIDRO O=C(CCC(=O)c1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160658363 509015972 /nfs/dbraw/zinc/01/59/72/509015972.db2.gz FSOJCRYRXVYEMA-QUCCMNQESA-N 1 0 358.482 2.534 20 70 FFIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160671364 509017682 /nfs/dbraw/zinc/01/76/82/509017682.db2.gz JAJGQEJQFOLPEF-KRWDZBQOSA-N 1 0 366.465 2.678 20 70 FFIDRO CC[N@H+](CCNC(=O)C(=O)Nc1cccnc1-c1ccccc1)C(C)C ZINC000160669881 509017861 /nfs/dbraw/zinc/01/78/61/509017861.db2.gz CYXVXQDMSNADIW-UHFFFAOYSA-N 1 0 354.454 2.534 20 70 FFIDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(F)cc1F ZINC000160687824 509020077 /nfs/dbraw/zinc/02/00/77/509020077.db2.gz UXIQLASRBVSJIC-QZTJIDSGSA-N 1 0 352.425 2.771 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(-c2ccc(Cl)s2)on1 ZINC000160692027 509021178 /nfs/dbraw/zinc/02/11/78/509021178.db2.gz GUUQYFNWDCWZHP-NSHDSACASA-N 1 0 369.874 2.633 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)C1 ZINC000160733545 509026134 /nfs/dbraw/zinc/02/61/34/509026134.db2.gz KAGZMMYGQPFFJO-HNNXBMFYSA-N 1 0 354.479 2.888 20 70 FFIDRO CCC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)c1 ZINC000160749125 509028418 /nfs/dbraw/zinc/02/84/18/509028418.db2.gz GECNQLRCUBACGJ-AEFFLSMTSA-N 1 0 371.481 2.551 20 70 FFIDRO CCNC(=O)N1CCc2ccc(NC(=O)[C@@H]3[NH2+]CCc4ccccc43)cc21 ZINC000160775533 509031087 /nfs/dbraw/zinc/03/10/87/509031087.db2.gz QFHGCHAQBIYEOI-LJQANCHMSA-N 1 0 364.449 2.604 20 70 FFIDRO O=C(c1cnc(C(F)(F)F)nc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000160810712 509035783 /nfs/dbraw/zinc/03/57/83/509035783.db2.gz WXQXBUJEZGITLJ-BXUZGUMPSA-N 1 0 354.376 2.584 20 70 FFIDRO O=C(c1cnc(C(F)(F)F)nc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000160811100 509035789 /nfs/dbraw/zinc/03/57/89/509035789.db2.gz WXQXBUJEZGITLJ-FZMZJTMJSA-N 1 0 354.376 2.584 20 70 FFIDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160853276 509040297 /nfs/dbraw/zinc/04/02/97/509040297.db2.gz HIKKAFFVLJYFMU-KRWDZBQOSA-N 1 0 366.465 2.630 20 70 FFIDRO COC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1C ZINC000160859214 509040927 /nfs/dbraw/zinc/04/09/27/509040927.db2.gz UONYWTPQSAJYGO-QGZVFWFLSA-N 1 0 369.465 2.813 20 70 FFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CSCCc3ccccc32)cc1 ZINC000161005557 509058646 /nfs/dbraw/zinc/05/86/46/509058646.db2.gz VYYJBOHTYISPPB-LJQANCHMSA-N 1 0 356.491 2.932 20 70 FFIDRO O=C(C[NH2+]C1CCC2(CC1)OCCO2)Nc1ccc(Br)cc1 ZINC000161034000 509062446 /nfs/dbraw/zinc/06/24/46/509062446.db2.gz IBCCPCLZZMNYBP-UHFFFAOYSA-N 1 0 369.259 2.663 20 70 FFIDRO CN1CCc2ccc(NC(=O)NC3CCC(C[NH+](C)C)CC3)cc2C1=O ZINC000161040785 509063855 /nfs/dbraw/zinc/06/38/55/509063855.db2.gz USWNNNFTJUHAFR-UHFFFAOYSA-N 1 0 358.486 2.557 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)NCCC[NH2+]C3CCCCC3)cc2)n1 ZINC000161053854 509065084 /nfs/dbraw/zinc/06/50/84/509065084.db2.gz DJNPVYQXOCVHCG-UHFFFAOYSA-N 1 0 356.474 2.916 20 70 FFIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000161092771 509070560 /nfs/dbraw/zinc/07/05/60/509070560.db2.gz OLTVGYZFDAHDTF-CRAIPNDOSA-N 1 0 374.506 2.961 20 70 FFIDRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)cccc1C(F)(F)F ZINC000161102136 509071737 /nfs/dbraw/zinc/07/17/37/509071737.db2.gz QTPNADQRJRSNTA-UHFFFAOYSA-N 1 0 371.403 2.941 20 70 FFIDRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000161139990 509076965 /nfs/dbraw/zinc/07/69/65/509076965.db2.gz CZWXAGLZZNWYJU-ZACQAIPSSA-N 1 0 363.527 2.779 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2(O)CCCCCC2)CC1 ZINC000161174804 509081158 /nfs/dbraw/zinc/08/11/58/509081158.db2.gz QIQCHYNAUBXKMB-KRWDZBQOSA-N 1 0 374.529 2.992 20 70 FFIDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000161217599 509087440 /nfs/dbraw/zinc/08/74/40/509087440.db2.gz JYPJDVGEHBKUJR-CHWSQXEVSA-N 1 0 359.297 2.840 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2)n1 ZINC000161245113 509091818 /nfs/dbraw/zinc/09/18/18/509091818.db2.gz PXQWJWSQJNECNT-UHFFFAOYSA-N 1 0 356.474 2.867 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000161273210 509095058 /nfs/dbraw/zinc/09/50/58/509095058.db2.gz OMYLFQDZFNEZPU-MRXNPFEDSA-N 1 0 359.495 2.783 20 70 FFIDRO CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000161294809 509098018 /nfs/dbraw/zinc/09/80/18/509098018.db2.gz NNLGKEFYNJAATL-SJORKVTESA-N 1 0 351.535 2.652 20 70 FFIDRO CC(=O)NC1CCC([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000161316022 509101393 /nfs/dbraw/zinc/10/13/93/509101393.db2.gz MVPZQPJGAXFODN-UHFFFAOYSA-N 1 0 369.465 2.747 20 70 FFIDRO COc1cc(CCC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1Cl ZINC000161405017 509112138 /nfs/dbraw/zinc/11/21/38/509112138.db2.gz OQOUXMXPDWAYHN-GJZGRUSLSA-N 1 0 368.905 2.897 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](COC)Cc2ccccc2)c1 ZINC000161450180 509117120 /nfs/dbraw/zinc/11/71/20/509117120.db2.gz FEOWKKLVRBQTHO-QAPCUYQASA-N 1 0 362.495 2.503 20 70 FFIDRO CCOC(=O)NCCCC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161467401 509119029 /nfs/dbraw/zinc/11/90/29/509119029.db2.gz PWBDPQIHJSQPKU-UHFFFAOYSA-N 1 0 353.507 2.672 20 70 FFIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000161509051 509123450 /nfs/dbraw/zinc/12/34/50/509123450.db2.gz FIUPIHAFQSIJNO-MRXNPFEDSA-N 1 0 365.543 2.606 20 70 FFIDRO COc1ccc(Br)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000217724513 509271775 /nfs/dbraw/zinc/27/17/75/509271775.db2.gz FBSWZYBNHLIZEV-NEPJUHHUSA-N 1 0 353.260 2.766 20 70 FFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000159377748 508833461 /nfs/dbraw/zinc/83/34/61/508833461.db2.gz LEJBWOUCZLQCBL-OAHLLOKOSA-N 1 0 370.478 2.912 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cnn(C)c1C)c1cccc(OC)c1 ZINC000159417321 508839133 /nfs/dbraw/zinc/83/91/33/508839133.db2.gz OJTXVIPOYNGPOX-IBGZPJMESA-N 1 0 373.501 2.619 20 70 FFIDRO Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159429152 508840507 /nfs/dbraw/zinc/84/05/07/508840507.db2.gz WNHSCHZSLRZYAH-AWEZNQCLSA-N 1 0 351.878 2.681 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000159455544 508844327 /nfs/dbraw/zinc/84/43/27/508844327.db2.gz GRJBWDAZMIXZQD-SFHVURJKSA-N 1 0 361.486 2.855 20 70 FFIDRO C[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)C[C@@H]1CCC[C@@H]1O ZINC000159465829 508846060 /nfs/dbraw/zinc/84/60/60/508846060.db2.gz PDQPUQUHSJFBQT-UWVGGRQHSA-N 1 0 356.220 2.685 20 70 FFIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000159476154 508847667 /nfs/dbraw/zinc/84/76/67/508847667.db2.gz YDLZERVMDALFTK-MAZHCROVSA-N 1 0 372.387 2.783 20 70 FFIDRO COc1cccc([C@H](CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)[NH+](C)C)c1 ZINC000159495808 508850320 /nfs/dbraw/zinc/85/03/20/508850320.db2.gz UBKIQMLCDSICTA-WDSOQIARSA-N 1 0 361.486 2.555 20 70 FFIDRO CC(C)[NH2+]CCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159506212 508851326 /nfs/dbraw/zinc/85/13/26/508851326.db2.gz SWHJBTONOJQAIJ-LJQANCHMSA-N 1 0 353.466 2.741 20 70 FFIDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CCCOc3ccccc32)c1 ZINC000159505872 508851467 /nfs/dbraw/zinc/85/14/67/508851467.db2.gz GHMOYRSCDXRBTK-SFHVURJKSA-N 1 0 367.449 2.717 20 70 FFIDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3cccc(=O)n3C)cc2)C1 ZINC000159536786 508854855 /nfs/dbraw/zinc/85/48/55/508854855.db2.gz GGUYEKOFJQMXOL-IRXDYDNUSA-N 1 0 367.493 2.793 20 70 FFIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(I)c1C ZINC000159576284 508860533 /nfs/dbraw/zinc/86/05/33/508860533.db2.gz RMAOPZYIIZGMAE-GFCCVEGCSA-N 1 0 372.250 2.814 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1 ZINC000159598703 508863611 /nfs/dbraw/zinc/86/36/11/508863611.db2.gz UNIICVOGMUHKMP-UHFFFAOYSA-N 1 0 365.433 2.650 20 70 FFIDRO O=C(CNC(=O)CC1CCCC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000159600265 508863920 /nfs/dbraw/zinc/86/39/20/508863920.db2.gz JQMREIDQPOUYJB-LJQANCHMSA-N 1 0 357.498 2.636 20 70 FFIDRO C[C@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccc(Br)cc1 ZINC000159629215 508868673 /nfs/dbraw/zinc/86/86/73/508868673.db2.gz UKBUEWPPJFDZDU-NOLJZWGESA-N 1 0 369.303 2.719 20 70 FFIDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000159655568 508872010 /nfs/dbraw/zinc/87/20/10/508872010.db2.gz PESOKFNXTVJQQF-LJQANCHMSA-N 1 0 360.502 2.609 20 70 FFIDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@]2(C)CCOC2)CC1 ZINC000159665306 508873506 /nfs/dbraw/zinc/87/35/06/508873506.db2.gz KUYZZVNEDITCSJ-GOSISDBHSA-N 1 0 366.893 2.782 20 70 FFIDRO C[NH+](C)CCN(C(=O)NCc1cnn(-c2ccccc2)c1)C1CCCC1 ZINC000159689805 508875997 /nfs/dbraw/zinc/87/59/97/508875997.db2.gz YXBVATOGZYOMTK-UHFFFAOYSA-N 1 0 355.486 2.888 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2OCC(F)(F)F)CC1 ZINC000159723208 508880675 /nfs/dbraw/zinc/88/06/75/508880675.db2.gz TZNFZMYOIDCMOT-UHFFFAOYSA-N 1 0 359.392 2.865 20 70 FFIDRO COc1ccccc1[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccco1 ZINC000159735729 508882436 /nfs/dbraw/zinc/88/24/36/508882436.db2.gz IIPSEVZPXAFMPY-KUHUBIRLSA-N 1 0 360.479 2.931 20 70 FFIDRO C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@@H]1CCC[C@@H]1O ZINC000159748980 508884760 /nfs/dbraw/zinc/88/47/60/508884760.db2.gz YWMZYEMYHCRCHW-GWCFXTLKSA-N 1 0 362.804 2.973 20 70 FFIDRO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OCC ZINC000159822202 508896026 /nfs/dbraw/zinc/89/60/26/508896026.db2.gz KHSXCIVVMIIXPO-HOCLYGCPSA-N 1 0 350.459 2.515 20 70 FFIDRO CCc1nn(C)c(CC)c1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000159830331 508897607 /nfs/dbraw/zinc/89/76/07/508897607.db2.gz KKEJKUYMCGRWKO-KRWDZBQOSA-N 1 0 371.529 2.517 20 70 FFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc3c(c2)OCO3)n1 ZINC000159844034 508899396 /nfs/dbraw/zinc/89/93/96/508899396.db2.gz YQLGMUIXRDJSLB-YJBOKZPZSA-N 1 0 356.422 2.696 20 70 FFIDRO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCCc4sccc43)ccn2)CC1 ZINC000159845634 508900195 /nfs/dbraw/zinc/90/01/95/508900195.db2.gz PPPZJGADACLTMV-MRXNPFEDSA-N 1 0 356.495 2.702 20 70 FFIDRO CCCNC(=O)[C@@H]1CCCN([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000159876680 508904848 /nfs/dbraw/zinc/90/48/48/508904848.db2.gz ZBMWLRNCTWSYBN-DOTOQJQBSA-N 1 0 356.470 2.960 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCCc1ccccc1 ZINC000159929954 508913612 /nfs/dbraw/zinc/91/36/12/508913612.db2.gz SVNUVJJPUNXJDP-DLBZAZTESA-N 1 0 363.465 2.665 20 70 FFIDRO CCC(=O)N[C@H]1CCCN([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000159942587 508915024 /nfs/dbraw/zinc/91/50/24/508915024.db2.gz GNXHOFBVCQTLJN-WMLDXEAASA-N 1 0 363.889 2.826 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Oc2nccs2)c1 ZINC000160008701 508924858 /nfs/dbraw/zinc/92/48/58/508924858.db2.gz PXHPVSGLLHNNJE-OAHLLOKOSA-N 1 0 361.467 2.512 20 70 FFIDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000160017732 508925822 /nfs/dbraw/zinc/92/58/22/508925822.db2.gz CGVKZBFMQQIKOT-SJLPKXTDSA-N 1 0 359.495 2.755 20 70 FFIDRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160042750 508930033 /nfs/dbraw/zinc/93/00/33/508930033.db2.gz WNBVWQATWXCMRZ-RTXFEEFZSA-N 1 0 371.250 2.708 20 70 FFIDRO O=C(Nc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1)c1cccs1 ZINC000160067247 508933285 /nfs/dbraw/zinc/93/32/85/508933285.db2.gz NAFAZZBRCUSBLC-IYBDPMFKSA-N 1 0 355.463 2.967 20 70 FFIDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cnc1Cl ZINC000160132544 508942874 /nfs/dbraw/zinc/94/28/74/508942874.db2.gz NFFBWGHALYRBHM-CQSZACIVSA-N 1 0 357.907 2.682 20 70 FFIDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)nn1-c1ccc(F)cc1F ZINC000160144158 508945256 /nfs/dbraw/zinc/94/52/56/508945256.db2.gz VDFMGKZUAOQNNR-CYBMUJFWSA-N 1 0 360.408 2.673 20 70 FFIDRO O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000160151525 508945909 /nfs/dbraw/zinc/94/59/09/508945909.db2.gz QZDSWYWSHWYABS-GFCCVEGCSA-N 1 0 354.372 2.525 20 70 FFIDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F ZINC000160155221 508946674 /nfs/dbraw/zinc/94/66/74/508946674.db2.gz AEPKHLMCWPNIJR-MALLOTDXSA-N 1 0 362.323 2.852 20 70 FFIDRO CC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000160159250 508947732 /nfs/dbraw/zinc/94/77/32/508947732.db2.gz BNYCNFXCTXVQFQ-QGZVFWFLSA-N 1 0 350.484 2.528 20 70 FFIDRO Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160158214 508947762 /nfs/dbraw/zinc/94/77/62/508947762.db2.gz HMYHCPSAVKLBLY-MOPGFXCFSA-N 1 0 369.513 2.583 20 70 FFIDRO C[NH+]1CCC(Oc2ccc(NCc3ccc(-n4cncn4)cc3)cn2)CC1 ZINC000160169877 508949059 /nfs/dbraw/zinc/94/90/59/508949059.db2.gz JUNMWXUZJUQMHH-UHFFFAOYSA-N 1 0 364.453 2.747 20 70 FFIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000160181818 508950795 /nfs/dbraw/zinc/95/07/95/508950795.db2.gz BTOHYAGVIFOPHS-GFCCVEGCSA-N 1 0 365.275 2.574 20 70 FFIDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000160207941 508954427 /nfs/dbraw/zinc/95/44/27/508954427.db2.gz CBVRQGGOOWMJKQ-OALUTQOASA-N 1 0 360.498 2.566 20 70 FFIDRO Cc1cccc2c(CC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)c[nH]c21 ZINC000160220434 508956170 /nfs/dbraw/zinc/95/61/70/508956170.db2.gz LGASRIBTBIBTLB-WOJBJXKFSA-N 1 0 369.509 2.903 20 70 FFIDRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160237947 508958331 /nfs/dbraw/zinc/95/83/31/508958331.db2.gz MHFQPNJYNSKKSL-KOLCDFICSA-N 1 0 361.667 2.820 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(-c2cccs2)n[nH]1 ZINC000160244975 508959806 /nfs/dbraw/zinc/95/98/06/508959806.db2.gz NZRGLJOSRQNXHF-IAGOWNOFSA-N 1 0 374.510 2.636 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCOc2ccccc2Cl)C1 ZINC000160247597 508959917 /nfs/dbraw/zinc/95/99/17/508959917.db2.gz TVKJVVFBUAXIKE-OAHLLOKOSA-N 1 0 353.894 2.996 20 70 FFIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000160317981 508970342 /nfs/dbraw/zinc/97/03/42/508970342.db2.gz OPUZJNDDEFTLCL-WMZOPIPTSA-N 1 0 365.543 2.763 20 70 FFIDRO COc1ccc(CCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160329808 508971664 /nfs/dbraw/zinc/97/16/64/508971664.db2.gz RYPDQFRFMOJVSI-LEWJYISDSA-N 1 0 374.525 2.902 20 70 FFIDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cccc(-c2nc[nH]n2)c1 ZINC000160344478 508973618 /nfs/dbraw/zinc/97/36/18/508973618.db2.gz IHXXSAVJYUDXOB-UHFFFAOYSA-N 1 0 371.510 2.563 20 70 FFIDRO COc1cc(Cl)ccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160345771 508974192 /nfs/dbraw/zinc/97/41/92/508974192.db2.gz GQOHCYYKMGYFNT-DLBZAZTESA-N 1 0 366.889 2.846 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1Cc1ccccc1 ZINC000160375783 508977819 /nfs/dbraw/zinc/97/78/19/508977819.db2.gz YBKMYTLEXFWNPI-FQEVSTJZSA-N 1 0 352.478 2.854 20 70 FFIDRO COc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1Cl ZINC000160382234 508978415 /nfs/dbraw/zinc/97/84/15/508978415.db2.gz FYQZCIDERYWAOD-CYBMUJFWSA-N 1 0 353.894 2.552 20 70 FFIDRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1OC(F)F ZINC000160379439 508978471 /nfs/dbraw/zinc/97/84/71/508978471.db2.gz RZHJOKSESVSAKF-GXFFZTMASA-N 1 0 352.385 2.862 20 70 FFIDRO COc1cccc(-c2nc(C)c(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)[nH]2)c1 ZINC000160379707 508978482 /nfs/dbraw/zinc/97/84/82/508978482.db2.gz ADQNXWZXCOHCTN-AEFFLSMTSA-N 1 0 368.481 2.950 20 70 FFIDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1 ZINC000160379278 508978590 /nfs/dbraw/zinc/97/85/90/508978590.db2.gz LYKBJDJXEWGXLU-AWEZNQCLSA-N 1 0 369.456 2.800 20 70 FFIDRO COc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc(OC)c1O ZINC000160390836 508980462 /nfs/dbraw/zinc/98/04/62/508980462.db2.gz VJEJARVQCSZQSV-CQSZACIVSA-N 1 0 360.410 2.569 20 70 FFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(OCc3nccn3C)cc1)CC2 ZINC000160394674 508981216 /nfs/dbraw/zinc/98/12/16/508981216.db2.gz AERCJJJYVRHJDT-PBHICJAKSA-N 1 0 366.469 2.565 20 70 FFIDRO Cc1cc(N2CCC[C@H]2C[NH+]2CCCCC2)n2nc(C(F)(F)F)nc2n1 ZINC000160437628 508986825 /nfs/dbraw/zinc/98/68/25/508986825.db2.gz IGLQAWYCXNXQQD-ZDUSSCGKSA-N 1 0 368.407 2.906 20 70 FFIDRO O=C(Nc1ccc2c(c1)OCO2)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160434184 508987087 /nfs/dbraw/zinc/98/70/87/508987087.db2.gz ZKCWBGDPBMMGMA-UHFFFAOYSA-N 1 0 373.497 2.942 20 70 FFIDRO CC(C)Oc1cccc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160440427 508987451 /nfs/dbraw/zinc/98/74/51/508987451.db2.gz NQVJFJUBFDSDAO-LEWJYISDSA-N 1 0 374.525 2.900 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)c1ccc(C(=O)NC2CC2)cc1)c1ccc(F)cc1 ZINC000160481851 508993099 /nfs/dbraw/zinc/99/30/99/508993099.db2.gz XCCCZYAPGIWBAS-LJQANCHMSA-N 1 0 369.440 2.751 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)C1 ZINC000160492318 508995118 /nfs/dbraw/zinc/99/51/18/508995118.db2.gz JCIGQQCOKTWLNY-CQSZACIVSA-N 1 0 364.515 2.633 20 70 FFIDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1Cn1cccn1 ZINC000160511455 508997278 /nfs/dbraw/zinc/99/72/78/508997278.db2.gz UZSGZUZUWJAFSH-RDTXWAMCSA-N 1 0 366.469 2.506 20 70 FFIDRO O=C(Cc1c[nH]c2cc(F)ccc12)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160514170 508997410 /nfs/dbraw/zinc/99/74/10/508997410.db2.gz JOSGJMRBJRYZFT-PMACEKPBSA-N 1 0 373.472 2.734 20 70 FFIDRO O=C(Nc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1)c1cccs1 ZINC000160546669 509001530 /nfs/dbraw/zinc/00/15/30/509001530.db2.gz BAKVNTVEBRRCFI-IYBDPMFKSA-N 1 0 355.463 2.967 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000160591944 509007525 /nfs/dbraw/zinc/00/75/25/509007525.db2.gz LRSMGPWPEHGQBG-QUCCMNQESA-N 1 0 360.498 2.650 20 70 FFIDRO Cc1cccc(OCCC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000160623852 509011848 /nfs/dbraw/zinc/01/18/48/509011848.db2.gz DACWZFANMQCAIL-PMACEKPBSA-N 1 0 368.477 2.516 20 70 FFIDRO CCC(CC)[C@H](CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[NH+](C)C ZINC000160633083 509012218 /nfs/dbraw/zinc/01/22/18/509012218.db2.gz HGVRWIGYRGIZKO-KRWDZBQOSA-N 1 0 358.490 2.970 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2ccccc2n1 ZINC000160661134 509015916 /nfs/dbraw/zinc/01/59/16/509015916.db2.gz PTWWSFQFRCNVNW-PMACEKPBSA-N 1 0 353.466 2.733 20 70 FFIDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160661178 509016004 /nfs/dbraw/zinc/01/60/04/509016004.db2.gz RHWBOSWTSIQBKX-KBPBESRZSA-N 1 0 353.488 2.684 20 70 FFIDRO CCCOc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160672349 509017562 /nfs/dbraw/zinc/01/75/62/509017562.db2.gz DAAZGNLXCYYRFV-UXHICEINSA-N 1 0 360.498 2.973 20 70 FFIDRO Cc1cccc(C)c1OCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160693422 509021174 /nfs/dbraw/zinc/02/11/74/509021174.db2.gz KGWFJDGJEAJCHZ-MOPGFXCFSA-N 1 0 360.498 2.566 20 70 FFIDRO O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160734918 509026599 /nfs/dbraw/zinc/02/65/99/509026599.db2.gz AOHIHWZPZUJHGV-FUHWJXTLSA-N 1 0 364.436 2.639 20 70 FFIDRO COC(=O)c1csc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)c1 ZINC000160736027 509026684 /nfs/dbraw/zinc/02/66/84/509026684.db2.gz XPVINNPSSPBGOW-UHFFFAOYSA-N 1 0 362.455 2.525 20 70 FFIDRO CC(=O)N1CCCc2cc(NC(=O)NCC[NH+]3CCC(C)CC3)ccc21 ZINC000160828573 509037831 /nfs/dbraw/zinc/03/78/31/509037831.db2.gz UJHZGYNEGOZRQY-UHFFFAOYSA-N 1 0 358.486 2.839 20 70 FFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cnc(Cl)cc2C)c1 ZINC000160913600 509047080 /nfs/dbraw/zinc/04/70/80/509047080.db2.gz QSYKBWZRWMBVSQ-UHFFFAOYSA-N 1 0 374.872 2.750 20 70 FFIDRO CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160949621 509051905 /nfs/dbraw/zinc/05/19/05/509051905.db2.gz DOMQUECSMBJPAY-OAHLLOKOSA-N 1 0 353.466 2.876 20 70 FFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000160955498 509052414 /nfs/dbraw/zinc/05/24/14/509052414.db2.gz JFFSKBTWCKPFSK-AWEZNQCLSA-N 1 0 355.438 2.621 20 70 FFIDRO C[C@]1(n2cc(C[NH2+][C@@H]3CCCc4sccc43)cn2)CCS(=O)(=O)C1 ZINC000160985188 509056481 /nfs/dbraw/zinc/05/64/81/509056481.db2.gz KTMSNMBFRKDLIA-WBVHZDCISA-N 1 0 365.524 2.646 20 70 FFIDRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1c(F)cccc1F ZINC000161008676 509059262 /nfs/dbraw/zinc/05/92/62/509059262.db2.gz PMRMDMHVRMSTBC-OAHLLOKOSA-N 1 0 368.449 2.557 20 70 FFIDRO C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(NC(N)=O)cc1 ZINC000161011466 509059355 /nfs/dbraw/zinc/05/93/55/509059355.db2.gz FDMRTGIJACCLBQ-CQSZACIVSA-N 1 0 369.469 2.799 20 70 FFIDRO C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(NC(N)=O)cc1 ZINC000161020147 509060993 /nfs/dbraw/zinc/06/09/93/509060993.db2.gz CECWFZQHERJVPK-KSSFIOAISA-N 1 0 369.469 2.840 20 70 FFIDRO CCC[C@@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CCO1 ZINC000161026805 509061860 /nfs/dbraw/zinc/06/18/60/509061860.db2.gz SJOPGZZXTINTHF-LJQANCHMSA-N 1 0 363.502 2.728 20 70 FFIDRO COCC[NH2+]CC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000161057575 509066077 /nfs/dbraw/zinc/06/60/77/509066077.db2.gz DEZDKPXQCDVBJD-UHFFFAOYSA-N 1 0 350.365 2.609 20 70 FFIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000161084632 509069434 /nfs/dbraw/zinc/06/94/34/509069434.db2.gz XUQIGRIHYFSWLF-ZDUSSCGKSA-N 1 0 352.866 2.648 20 70 FFIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161100985 509071471 /nfs/dbraw/zinc/07/14/71/509071471.db2.gz CSCPWOCWYCJODP-DOTOQJQBSA-N 1 0 361.486 2.699 20 70 FFIDRO O=C(NCc1ccccc1CO)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000161139750 509076877 /nfs/dbraw/zinc/07/68/77/509076877.db2.gz PXYRXIIFPOUXSP-GOSISDBHSA-N 1 0 357.454 2.798 20 70 FFIDRO CC(C)(CNC(=O)NCc1ccccc1CO)[N@@H+]1CCc2ccccc2C1 ZINC000161144426 509077495 /nfs/dbraw/zinc/07/74/95/509077495.db2.gz FFFFDNPUKKWDNR-UHFFFAOYSA-N 1 0 367.493 2.815 20 70 FFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000161184092 509082469 /nfs/dbraw/zinc/08/24/69/509082469.db2.gz BJBQBVHDQCSCIX-HOCLYGCPSA-N 1 0 354.516 2.624 20 70 FFIDRO COC[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000161223169 509088031 /nfs/dbraw/zinc/08/80/31/509088031.db2.gz DNLOKGXYQIJHMP-IAGOWNOFSA-N 1 0 360.502 2.675 20 70 FFIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000161231610 509089609 /nfs/dbraw/zinc/08/96/09/509089609.db2.gz KPGKLFXBGAQXBI-UHFFFAOYSA-N 1 0 360.545 2.592 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)c1cn(-c2cccc(C)c2)nn1)c1ccco1 ZINC000161410837 509112904 /nfs/dbraw/zinc/11/29/04/509112904.db2.gz TYNSMRSVLAPEOE-GOSISDBHSA-N 1 0 367.453 2.982 20 70 FFIDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c(OC)c1 ZINC000161428391 509114564 /nfs/dbraw/zinc/11/45/64/509114564.db2.gz AODDYPGTSVIIGJ-NVXWUHKLSA-N 1 0 372.465 2.787 20 70 FFIDRO Cc1ccc(OC[C@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(C)c1 ZINC000161428331 509114749 /nfs/dbraw/zinc/11/47/49/509114749.db2.gz WDJOMCVCYYHAFY-WBVHZDCISA-N 1 0 361.404 2.678 20 70 FFIDRO CC1(C)CN(C(=O)[C@H]2CCn3ccnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000161444201 509116713 /nfs/dbraw/zinc/11/67/13/509116713.db2.gz NSEQNMYKXVFKBL-SFHVURJKSA-N 1 0 352.482 2.569 20 70 FFIDRO O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000161450951 509117296 /nfs/dbraw/zinc/11/72/96/509117296.db2.gz OMRLEXUFBABLIK-QUCCMNQESA-N 1 0 366.436 2.962 20 70 FFIDRO CCC(CC)n1nccc1C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000161470024 509119456 /nfs/dbraw/zinc/11/94/56/509119456.db2.gz WCAKPTMCILMGFI-GJZGRUSLSA-N 1 0 350.507 2.862 20 70 FFIDRO CSCc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159369901 508832310 /nfs/dbraw/zinc/83/23/10/508832310.db2.gz VSHAYACUHCOSMF-INIZCTEOSA-N 1 0 363.527 2.582 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000159392641 508835999 /nfs/dbraw/zinc/83/59/99/508835999.db2.gz XMIXGQQMAFYDDY-GFCCVEGCSA-N 1 0 355.841 2.512 20 70 FFIDRO Cc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000159446400 508843022 /nfs/dbraw/zinc/84/30/22/508843022.db2.gz VUYPFYDSAACVBC-CQSZACIVSA-N 1 0 351.878 2.681 20 70 FFIDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCCc1cscn1 ZINC000159467522 508846021 /nfs/dbraw/zinc/84/60/21/508846021.db2.gz JZUHBBUUSQKJJA-UHFFFAOYSA-N 1 0 350.463 2.598 20 70 FFIDRO Cc1cccc(C(=O)NCCCC[NH+]2CCOCC2)c1Br ZINC000159494218 508849509 /nfs/dbraw/zinc/84/95/09/508849509.db2.gz DFBJUDXQGPXUGI-UHFFFAOYSA-N 1 0 355.276 2.600 20 70 FFIDRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000159513282 508851995 /nfs/dbraw/zinc/85/19/95/508851995.db2.gz DWDUSPHSFCKJOA-INIZCTEOSA-N 1 0 363.506 2.505 20 70 FFIDRO C[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C[C@@H]1CCC[C@@H]1O ZINC000159554135 508858022 /nfs/dbraw/zinc/85/80/22/508858022.db2.gz LNNKDIRUNUKOQG-WFASDCNBSA-N 1 0 362.367 2.554 20 70 FFIDRO CC[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000159576049 508860483 /nfs/dbraw/zinc/86/04/83/508860483.db2.gz UEFWHRLWHQQNJU-HNNXBMFYSA-N 1 0 351.878 2.987 20 70 FFIDRO CC[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000159580667 508861396 /nfs/dbraw/zinc/86/13/96/508861396.db2.gz KGDUWNUGGQFDQN-GOSISDBHSA-N 1 0 360.502 2.780 20 70 FFIDRO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)ccc1OCC(F)(F)F ZINC000159590797 508862797 /nfs/dbraw/zinc/86/27/97/508862797.db2.gz NHDKYGNNOUOEFD-DGCLKSJQSA-N 1 0 360.376 2.722 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)CCc1nnc(C2CCCC2)o1)Cc1ccccc1 ZINC000159629758 508868853 /nfs/dbraw/zinc/86/88/53/508868853.db2.gz QMPWMWMUCDJKSA-GOSISDBHSA-N 1 0 370.497 2.949 20 70 FFIDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000159683739 508875077 /nfs/dbraw/zinc/87/50/77/508875077.db2.gz OLNJRCMSEHSBSH-VQTJNVASSA-N 1 0 371.525 2.953 20 70 FFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H](CCO)c1ccccc1 ZINC000159738463 508883094 /nfs/dbraw/zinc/88/30/94/508883094.db2.gz FVCUWNUTNUFTQB-WMQCIHAUSA-N 1 0 367.493 2.930 20 70 FFIDRO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159740390 508883536 /nfs/dbraw/zinc/88/35/36/508883536.db2.gz UNKNYMRWLZQQRM-MRXNPFEDSA-N 1 0 365.905 2.872 20 70 FFIDRO COc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1OCC(F)(F)F ZINC000159772599 508888979 /nfs/dbraw/zinc/88/89/79/508888979.db2.gz VDDVMLOONDBJJV-UHFFFAOYSA-N 1 0 360.376 2.724 20 70 FFIDRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000159833200 508898633 /nfs/dbraw/zinc/89/86/33/508898633.db2.gz CWDGIAGSXZQRGQ-IRXDYDNUSA-N 1 0 363.465 2.931 20 70 FFIDRO CC(=O)N(CCc1ccccc1)CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159843321 508899481 /nfs/dbraw/zinc/89/94/81/508899481.db2.gz CDLGYGFGDKBORP-UHFFFAOYSA-N 1 0 359.514 2.503 20 70 FFIDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159857481 508901688 /nfs/dbraw/zinc/90/16/88/508901688.db2.gz BIOVPTYSYSUYIN-HNNXBMFYSA-N 1 0 369.465 2.983 20 70 FFIDRO C[C@H](C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)N1CCc2sccc2C1 ZINC000159877069 508904964 /nfs/dbraw/zinc/90/49/64/508904964.db2.gz VZHQLXOEHYYMGK-HUUCEWRRSA-N 1 0 368.510 2.821 20 70 FFIDRO COCc1ccccc1CNC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159878770 508904989 /nfs/dbraw/zinc/90/49/89/508904989.db2.gz GNMYIPNOWMLQST-UHFFFAOYSA-N 1 0 361.511 2.859 20 70 FFIDRO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000159882374 508905853 /nfs/dbraw/zinc/90/58/53/508905853.db2.gz WKWSGUHLSVQBKL-JKSUJKDBSA-N 1 0 353.470 2.529 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccnn2CC)cc1 ZINC000159897695 508908257 /nfs/dbraw/zinc/90/82/57/508908257.db2.gz HTRJSHGJTXBAQT-HNNXBMFYSA-N 1 0 364.515 2.784 20 70 FFIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCc1ccccc1F ZINC000159905770 508909131 /nfs/dbraw/zinc/90/91/31/508909131.db2.gz RQEUSLJCNZOXRI-GJZGRUSLSA-N 1 0 367.428 2.762 20 70 FFIDRO COc1cc(F)c([C@H](C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1OC ZINC000159963365 508918374 /nfs/dbraw/zinc/91/83/74/508918374.db2.gz AZGZUKHPECOVNM-SJCJKPOMSA-N 1 0 358.413 2.735 20 70 FFIDRO CC(C)([NH3+])CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC000159970046 508919106 /nfs/dbraw/zinc/91/91/06/508919106.db2.gz MWXNLNIMVZXMHF-UHFFFAOYSA-N 1 0 363.508 2.946 20 70 FFIDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000159992906 508921278 /nfs/dbraw/zinc/92/12/78/508921278.db2.gz MKLFBYJIEPDFIO-MLGOLLRUSA-N 1 0 354.497 2.678 20 70 FFIDRO Cc1c2cc(F)ccc2sc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159991036 508921577 /nfs/dbraw/zinc/92/15/77/508921577.db2.gz PWFDMSAJIYKCJD-AWEZNQCLSA-N 1 0 350.459 2.925 20 70 FFIDRO COC(=O)[C@H](CNC(=O)CC[NH2+]C(C)C)Cc1ccc2ccccc2c1 ZINC000160054108 508931512 /nfs/dbraw/zinc/93/15/12/508931512.db2.gz CTUDLLKUFVFCFO-IBGZPJMESA-N 1 0 356.466 2.676 20 70 FFIDRO O=S(=O)(c1ccc(F)c(F)c1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160126936 508941966 /nfs/dbraw/zinc/94/19/66/508941966.db2.gz USXDMJYCUADUQI-GFCCVEGCSA-N 1 0 362.417 2.743 20 70 FFIDRO CC[N@H+](C)CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000160149602 508946168 /nfs/dbraw/zinc/94/61/68/508946168.db2.gz MFAZAPWWYYSOJP-IBGZPJMESA-N 1 0 369.465 2.722 20 70 FFIDRO CCNC(=O)c1cccc(CN[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)c1 ZINC000160174540 508949869 /nfs/dbraw/zinc/94/98/69/508949869.db2.gz ZIBYIRKXZYQIBI-FXAWDEMLSA-N 1 0 361.530 2.663 20 70 FFIDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]1OC ZINC000160183232 508950558 /nfs/dbraw/zinc/95/05/58/508950558.db2.gz NQRHSCGEBOENDR-IEBWSBKVSA-N 1 0 363.502 2.774 20 70 FFIDRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@](C)(O)C3)cc2)CC1 ZINC000160201499 508953703 /nfs/dbraw/zinc/95/37/03/508953703.db2.gz BMUIFTIJSIBFEU-OAQYLSRUSA-N 1 0 359.514 2.975 20 70 FFIDRO CC1CC[NH+](CCNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC000160234352 508958313 /nfs/dbraw/zinc/95/83/13/508958313.db2.gz WMYYZMIUHWCJIP-UHFFFAOYSA-N 1 0 363.546 2.700 20 70 FFIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000160261890 508961908 /nfs/dbraw/zinc/96/19/08/508961908.db2.gz KACMNIAIDXZIPZ-UHFFFAOYSA-N 1 0 370.501 2.531 20 70 FFIDRO Cc1cccc(-n2cc(C(=O)NCCCC[NH+]3CCC(C)CC3)nn2)c1 ZINC000160278582 508963949 /nfs/dbraw/zinc/96/39/49/508963949.db2.gz ASZKJSJZHOPGHL-UHFFFAOYSA-N 1 0 355.486 2.818 20 70 FFIDRO CC(C)c1nc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cs1 ZINC000160289609 508965929 /nfs/dbraw/zinc/96/59/29/508965929.db2.gz IYRKCMJWZBOVRN-HZPDHXFCSA-N 1 0 351.516 2.764 20 70 FFIDRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160329403 508971656 /nfs/dbraw/zinc/97/16/56/508971656.db2.gz JXJBNYJLLVMMTN-ZBFHGGJFSA-N 1 0 369.303 2.594 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)N(C[C@@H]2CCOC2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000160349709 508974132 /nfs/dbraw/zinc/97/41/32/508974132.db2.gz IDVGLBXVRXMFJI-NZSAHSFTSA-N 1 0 357.498 2.860 20 70 FFIDRO CNC(=O)c1cccc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000160393473 508980158 /nfs/dbraw/zinc/98/01/58/508980158.db2.gz IISHSGXDRHEDSW-DNVCBOLYSA-N 1 0 366.465 2.831 20 70 FFIDRO COc1ccc([C@H](C)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160435460 508986637 /nfs/dbraw/zinc/98/66/37/508986637.db2.gz RPPLHDVFZFKWPV-YSSFQJQWSA-N 1 0 360.498 2.683 20 70 FFIDRO CCc1nc(CN(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)no1 ZINC000160449723 508988282 /nfs/dbraw/zinc/98/82/82/508988282.db2.gz OEIPEADAEGTDON-PBWFPOADSA-N 1 0 350.463 2.994 20 70 FFIDRO O=C(COc1ccc(Cl)cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160445890 508988469 /nfs/dbraw/zinc/98/84/69/508988469.db2.gz XQJSVWDZJRNYQK-QZTJIDSGSA-N 1 0 366.889 2.603 20 70 FFIDRO CCn1cc(C2CC[NH+](Cc3cc(=O)n4c(C)cccc4n3)CC2)cn1 ZINC000160462949 508990696 /nfs/dbraw/zinc/99/06/96/508990696.db2.gz PBJUSKQTSYTJKC-UHFFFAOYSA-N 1 0 351.454 2.599 20 70 FFIDRO O=C(Cc1c[nH]c2cc(F)ccc12)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160514412 508997344 /nfs/dbraw/zinc/99/73/44/508997344.db2.gz JOSGJMRBJRYZFT-VQTJNVASSA-N 1 0 373.472 2.734 20 70 FFIDRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160521166 508998143 /nfs/dbraw/zinc/99/81/43/508998143.db2.gz SDZAUCBZQNUBKR-GFCCVEGCSA-N 1 0 374.407 2.889 20 70 FFIDRO CCOc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1C ZINC000160517908 508998170 /nfs/dbraw/zinc/99/81/70/508998170.db2.gz DIUXXSYWLHDYCL-RBUKOAKNSA-N 1 0 360.498 2.891 20 70 FFIDRO CCCNC(=O)c1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000160571640 509004088 /nfs/dbraw/zinc/00/40/88/509004088.db2.gz LEJOSNURJIPIJZ-UHFFFAOYSA-N 1 0 357.420 2.943 20 70 FFIDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160581642 509005810 /nfs/dbraw/zinc/00/58/10/509005810.db2.gz PMOFOAZCJIGAPS-VIFPVBQESA-N 1 0 358.389 2.843 20 70 FFIDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C1 ZINC000160589231 509006659 /nfs/dbraw/zinc/00/66/59/509006659.db2.gz LREOQTSDHYQZDU-MRXNPFEDSA-N 1 0 359.514 2.924 20 70 FFIDRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160644437 509014079 /nfs/dbraw/zinc/01/40/79/509014079.db2.gz HTYCTDANCYTYBH-BNOWGMLFSA-N 1 0 353.260 2.569 20 70 FFIDRO CCSc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000160589912 509006944 /nfs/dbraw/zinc/00/69/44/509006944.db2.gz YLOKFMUJSGQWMT-SJORKVTESA-N 1 0 363.527 2.691 20 70 FFIDRO C[C@H](CNC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C[NH+]1CCCC1 ZINC000160609762 509009871 /nfs/dbraw/zinc/00/98/71/509009871.db2.gz GANUWGINCTZBKD-IPJUCJBFSA-N 1 0 363.546 2.700 20 70 FFIDRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160622380 509011709 /nfs/dbraw/zinc/01/17/09/509011709.db2.gz PIRMHKIEGNPQSE-NMLBUPMWSA-N 1 0 372.509 2.683 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160655216 509015149 /nfs/dbraw/zinc/01/51/49/509015149.db2.gz NWFDPHJPJWHNSN-LRDDRELGSA-N 1 0 369.303 2.799 20 70 FFIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC000160671390 509017908 /nfs/dbraw/zinc/01/79/08/509017908.db2.gz CKNSDWYCAJATOR-IAGOWNOFSA-N 1 0 369.509 2.945 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000160675045 509018403 /nfs/dbraw/zinc/01/84/03/509018403.db2.gz NXXPDOANQRFSNI-MRXNPFEDSA-N 1 0 355.482 2.623 20 70 FFIDRO O=C(Cc1ccccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160698841 509021751 /nfs/dbraw/zinc/02/17/51/509021751.db2.gz FCEOFSGQNDPOCO-ZWKOTPCHSA-N 1 0 350.890 2.767 20 70 FFIDRO Cc1cccc2[nH]cc(CC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)c21 ZINC000160703289 509022570 /nfs/dbraw/zinc/02/25/70/509022570.db2.gz IKJPIQYRTFQCPZ-PMACEKPBSA-N 1 0 369.509 2.903 20 70 FFIDRO Cc1cccc2[nH]cc(CC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)c21 ZINC000160703564 509022656 /nfs/dbraw/zinc/02/26/56/509022656.db2.gz IKJPIQYRTFQCPZ-VQTJNVASSA-N 1 0 369.509 2.903 20 70 FFIDRO O=C(/C=C/c1ccc2c(c1)CCO2)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160751500 509028939 /nfs/dbraw/zinc/02/89/39/509028939.db2.gz OMESKTTWZNWTJA-GXOGWTJNSA-N 1 0 370.493 2.519 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1 ZINC000160799191 509034130 /nfs/dbraw/zinc/03/41/30/509034130.db2.gz HZTLUDOBQHJTJW-UHFFFAOYSA-N 1 0 367.493 2.875 20 70 FFIDRO Cn1cc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(C(F)(F)F)n1 ZINC000160805118 509034760 /nfs/dbraw/zinc/03/47/60/509034760.db2.gz HQIVBEVEDMFRMU-CQSZACIVSA-N 1 0 373.423 2.599 20 70 FFIDRO O=C(NCCNc1ccc2ccccc2n1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160814669 509036396 /nfs/dbraw/zinc/03/63/96/509036396.db2.gz UGVRWQHKTVAKOH-KRWDZBQOSA-N 1 0 367.497 2.963 20 70 FFIDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160881669 509043906 /nfs/dbraw/zinc/04/39/06/509043906.db2.gz UEMPWMDTYCFTID-ZFWWWQNUSA-N 1 0 366.469 2.900 20 70 FFIDRO Cc1ccsc1[C@H](CO)NC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000160940706 509051389 /nfs/dbraw/zinc/05/13/89/509051389.db2.gz CUBAZHVZPVZGJP-CVEARBPZSA-N 1 0 353.532 2.900 20 70 FFIDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000160966222 509054384 /nfs/dbraw/zinc/05/43/84/509054384.db2.gz JIPBIIUUMWKOFC-MJGOQNOKSA-N 1 0 361.530 2.962 20 70 FFIDRO CC(C)C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cccs1 ZINC000161003966 509058616 /nfs/dbraw/zinc/05/86/16/509058616.db2.gz PKCJKALVKZADJG-MRXNPFEDSA-N 1 0 359.495 2.840 20 70 FFIDRO C[C@H](CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)C[NH+]1CCCC1 ZINC000161077585 509067905 /nfs/dbraw/zinc/06/79/05/509067905.db2.gz XPWBZXBOKONYNV-MRXNPFEDSA-N 1 0 359.514 2.811 20 70 FFIDRO C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000161091375 509070344 /nfs/dbraw/zinc/07/03/44/509070344.db2.gz BDGLUFDSLZLNIE-LAUBAEHRSA-N 1 0 368.477 2.900 20 70 FFIDRO C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(Cc2ccncc2)CC1 ZINC000161224605 509087912 /nfs/dbraw/zinc/08/79/12/509087912.db2.gz OTVKCVTUGZNLAD-CQSZACIVSA-N 1 0 360.408 2.505 20 70 FFIDRO Cc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1NS(C)(=O)=O ZINC000161233872 509089551 /nfs/dbraw/zinc/08/95/51/509089551.db2.gz LTIXLUBFXMJOQF-UHFFFAOYSA-N 1 0 361.467 2.680 20 70 FFIDRO Clc1cc(CC[NH2+]C2CCC3(CC2)OCCO3)cc2c1OCCO2 ZINC000161244173 509091458 /nfs/dbraw/zinc/09/14/58/509091458.db2.gz OGYIVIVJPRZIFX-UHFFFAOYSA-N 1 0 353.846 2.929 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(CCCCO)C2CC2)CC1 ZINC000161255035 509092318 /nfs/dbraw/zinc/09/23/18/509092318.db2.gz DVNCUJXJBKZZST-MRXNPFEDSA-N 1 0 360.502 2.554 20 70 FFIDRO CC(C)c1ncc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)s1 ZINC000161260131 509093178 /nfs/dbraw/zinc/09/31/78/509093178.db2.gz SDGWBKFAAJXPOA-UHFFFAOYSA-N 1 0 355.504 2.612 20 70 FFIDRO CCOC(=O)c1cc2cc(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)ccc2[nH]1 ZINC000161259741 509093208 /nfs/dbraw/zinc/09/32/08/509093208.db2.gz ZFHHQUZGHNQDGU-UGSOOPFHSA-N 1 0 357.454 2.803 20 70 FFIDRO O=C(N[C@@H]1CCN(c2ccccn2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000161277273 509095752 /nfs/dbraw/zinc/09/57/52/509095752.db2.gz JEKPOPPVNQQULZ-VQTJNVASSA-N 1 0 364.493 2.689 20 70 FFIDRO C[C@@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCN1CC(F)(F)F ZINC000161285171 509096347 /nfs/dbraw/zinc/09/63/47/509096347.db2.gz UMOIYJAUBHJKJT-CQSZACIVSA-N 1 0 363.468 2.840 20 70 FFIDRO COc1cc(CCC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000161404884 509112412 /nfs/dbraw/zinc/11/24/12/509112412.db2.gz OQOUXMXPDWAYHN-GASCZTMLSA-N 1 0 368.905 2.897 20 70 FFIDRO O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161430724 509114856 /nfs/dbraw/zinc/11/48/56/509114856.db2.gz SOLOMBSCXRVPBU-HIFRSBDPSA-N 1 0 367.795 2.715 20 70 FFIDRO O=C(CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)N1CCc2ccccc21 ZINC000161461520 509117949 /nfs/dbraw/zinc/11/79/49/509117949.db2.gz SPDXTVPNWJYXDB-QGZVFWFLSA-N 1 0 356.388 2.601 20 70 FFIDRO CC1CC[NH+](C2CCC(NC(=O)CCNC(=O)c3ccco3)CC2)CC1 ZINC000161461629 509118392 /nfs/dbraw/zinc/11/83/92/509118392.db2.gz SUOISQZUAVZVNU-UHFFFAOYSA-N 1 0 361.486 2.559 20 70 FFIDRO CCCn1nccc1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000161484996 509120544 /nfs/dbraw/zinc/12/05/44/509120544.db2.gz KNUPDHWWFOXVEA-UHFFFAOYSA-N 1 0 363.506 2.649 20 70 FFIDRO O=C1[C@H](N2CCC([C@H](O)C(F)(F)F)CC2)CCN1c1ccccc1F ZINC000161510220 509123309 /nfs/dbraw/zinc/12/33/09/509123309.db2.gz KDKFWMQDKQIUAQ-CABCVRRESA-N 1 0 360.351 2.566 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000159369251 508831771 /nfs/dbraw/zinc/83/17/71/508831771.db2.gz QFNPZIZLXYTQGD-JFIYKMOQSA-N 1 0 367.559 2.850 20 70 FFIDRO Cc1ccc(CNC(=O)CN2CCO[C@]3(CCc4ccccc43)C2)cc1F ZINC000159385426 508834124 /nfs/dbraw/zinc/83/41/24/508834124.db2.gz VZWMVTXXYUDPPU-JOCHJYFZSA-N 1 0 368.452 2.924 20 70 FFIDRO O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N1CCC2(CCC2)C1 ZINC000159448587 508844073 /nfs/dbraw/zinc/84/40/73/508844073.db2.gz VCVOVZUWLIGGNS-UHFFFAOYSA-N 1 0 373.522 2.577 20 70 FFIDRO Cc1c([C@@H](C)[NH2+]CCCN2CCCC2=O)nnn1-c1cccc(Cl)c1 ZINC000159467924 508845990 /nfs/dbraw/zinc/84/59/90/508845990.db2.gz FXGIHVWSWORLIU-CYBMUJFWSA-N 1 0 361.877 2.892 20 70 FFIDRO C[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)C[C@H]1CCC[C@@H]1O ZINC000159465982 508846266 /nfs/dbraw/zinc/84/62/66/508846266.db2.gz PDQPUQUHSJFBQT-ZJUUUORDSA-N 1 0 356.220 2.685 20 70 FFIDRO Cc1ccc(S(=O)(=O)CCC(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159617935 508866860 /nfs/dbraw/zinc/86/68/60/508866860.db2.gz LRTKYGDKRMXXBB-UHFFFAOYSA-N 1 0 366.527 2.587 20 70 FFIDRO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@@H]3CCCC[C@@H]31)CC2 ZINC000159623730 508867304 /nfs/dbraw/zinc/86/73/04/508867304.db2.gz LWVWBILNMAOBLS-YJBOKZPZSA-N 1 0 358.482 2.853 20 70 FFIDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc2cccc(CO)c2)c1 ZINC000159635682 508869643 /nfs/dbraw/zinc/86/96/43/508869643.db2.gz IIVUSILKBRBYSP-GOSISDBHSA-N 1 0 370.493 2.845 20 70 FFIDRO COC(=O)c1[nH]c(C)c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1C ZINC000159696527 508876384 /nfs/dbraw/zinc/87/63/84/508876384.db2.gz LICVFORGPIADST-ZDUSSCGKSA-N 1 0 357.454 2.668 20 70 FFIDRO C[NH+](C)CCN(C(=O)NCCc1ccc(-n2cccn2)cc1)C1CCCC1 ZINC000159699767 508877390 /nfs/dbraw/zinc/87/73/90/508877390.db2.gz COMKQYVACARBRC-UHFFFAOYSA-N 1 0 369.513 2.931 20 70 FFIDRO C[C@@H](O)C1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000159753327 508885525 /nfs/dbraw/zinc/88/55/25/508885525.db2.gz PGNIBLYWEBPMSP-MRXNPFEDSA-N 1 0 369.575 2.541 20 70 FFIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000159767890 508887989 /nfs/dbraw/zinc/88/79/89/508887989.db2.gz AIBIIJYNRPUDFQ-OAHLLOKOSA-N 1 0 364.511 2.931 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000159783414 508890434 /nfs/dbraw/zinc/89/04/34/508890434.db2.gz LLASSKUKVRPGKO-UHFFFAOYSA-N 1 0 370.291 2.695 20 70 FFIDRO O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159810466 508894786 /nfs/dbraw/zinc/89/47/86/508894786.db2.gz VDVLSMARWGKDDH-JXMROGBWSA-N 1 0 367.493 2.817 20 70 FFIDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cccc(=O)n2C)C1 ZINC000159816811 508895443 /nfs/dbraw/zinc/89/54/43/508895443.db2.gz OKLQHAJZUAPGEK-CALCHBBNSA-N 1 0 367.493 2.793 20 70 FFIDRO Cc1cc(C(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)oc1C ZINC000159821256 508896176 /nfs/dbraw/zinc/89/61/76/508896176.db2.gz CJEAFNIESFGIBJ-INIZCTEOSA-N 1 0 355.438 2.846 20 70 FFIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCC(C)CC2)cc1 ZINC000159855469 508900970 /nfs/dbraw/zinc/90/09/70/508900970.db2.gz HZXCGXZLGIFHDN-IRXDYDNUSA-N 1 0 370.497 2.772 20 70 FFIDRO Cc1ccc([C@@H](CNC(=O)Nc2ccnn2C[C@H]2CCOC2)[NH+](C)C)cc1 ZINC000159856641 508901578 /nfs/dbraw/zinc/90/15/78/508901578.db2.gz ODDYCBGYGKRLPL-SJLPKXTDSA-N 1 0 371.485 2.652 20 70 FFIDRO COc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)c(OC)c1OC ZINC000159859024 508901867 /nfs/dbraw/zinc/90/18/67/508901867.db2.gz QGCQEYZTBJTPMG-UHFFFAOYSA-N 1 0 358.438 2.704 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C[N@@H+]1Cc1ccccc1 ZINC000159869361 508903547 /nfs/dbraw/zinc/90/35/47/508903547.db2.gz QMSZUEKUKPGJCQ-AEFFLSMTSA-N 1 0 361.449 2.660 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1csc(-c2ccccc2F)n1 ZINC000159913330 508910145 /nfs/dbraw/zinc/91/01/45/508910145.db2.gz ROYQEEVMFJOPBR-ZDUSSCGKSA-N 1 0 363.458 2.526 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NCCOc1cccc(F)c1 ZINC000159943394 508914885 /nfs/dbraw/zinc/91/48/85/508914885.db2.gz HZCHMNHQXJMIHF-UHFFFAOYSA-N 1 0 365.474 2.730 20 70 FFIDRO C[C@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1cc2ccccc2o1 ZINC000159947596 508915647 /nfs/dbraw/zinc/91/56/47/508915647.db2.gz UYFDLYSCGRIOKY-KRWDZBQOSA-N 1 0 357.498 2.880 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)cc1 ZINC000160103702 508939014 /nfs/dbraw/zinc/93/90/14/508939014.db2.gz ZWSPDXVKKSQOFZ-CQSZACIVSA-N 1 0 363.483 2.628 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000160106632 508939624 /nfs/dbraw/zinc/93/96/24/508939624.db2.gz UKWHMQWZYGBJGM-MRXNPFEDSA-N 1 0 360.502 2.751 20 70 FFIDRO O=S(=O)(c1cccc2ncccc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160119861 508941240 /nfs/dbraw/zinc/94/12/40/508941240.db2.gz YIFDYNCPWGBAJF-MRXNPFEDSA-N 1 0 359.495 2.874 20 70 FFIDRO CCOc1ccc(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160166688 508948545 /nfs/dbraw/zinc/94/85/45/508948545.db2.gz SZEYFTBTIJQERY-LEWJYISDSA-N 1 0 374.525 2.902 20 70 FFIDRO C[C@H]1C[C@H](NC(=O)N(CCO)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160203615 508953437 /nfs/dbraw/zinc/95/34/37/508953437.db2.gz NUFZTFHDLJRUKZ-RXVVDRJESA-N 1 0 367.493 2.854 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000160228379 508957729 /nfs/dbraw/zinc/95/77/29/508957729.db2.gz XODUPMOCXFRCBY-IRXDYDNUSA-N 1 0 368.424 2.786 20 70 FFIDRO COc1cccc(-c2nc(C)c(C(=O)NC3CC[NH+](C(C)C)CC3)[nH]2)c1 ZINC000160241151 508958926 /nfs/dbraw/zinc/95/89/26/508958926.db2.gz WPRSABUDVFAPTL-UHFFFAOYSA-N 1 0 356.470 2.996 20 70 FFIDRO Cc1cccc(C)c1OCCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160244344 508959361 /nfs/dbraw/zinc/95/93/61/508959361.db2.gz FDLRXFZERROYDD-PMACEKPBSA-N 1 0 374.525 2.956 20 70 FFIDRO O=C(Cc1cccc(Cl)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160249980 508960188 /nfs/dbraw/zinc/96/01/88/508960188.db2.gz BASIFBUDQDXJFV-ROUUACIJSA-N 1 0 350.890 2.767 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(-c2ccccc2)on1 ZINC000160254279 508960872 /nfs/dbraw/zinc/96/08/72/508960872.db2.gz KAERWYWJQVVLBY-MOPGFXCFSA-N 1 0 369.465 2.839 20 70 FFIDRO Cc1sc2ncnc(SCCC(=O)N3CCC[C@H]3C[NH3+])c2c1C ZINC000160254750 508961083 /nfs/dbraw/zinc/96/10/83/508961083.db2.gz AKYLAAXQTAKDHR-LBPRGKRZSA-N 1 0 350.513 2.740 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccnc1Nc1ccccc1F ZINC000160252608 508961129 /nfs/dbraw/zinc/96/11/29/508961129.db2.gz GPMIBGJASLYQGR-OAHLLOKOSA-N 1 0 372.444 2.541 20 70 FFIDRO Cc1cc(-c2cc(C(=O)N3CCC[C@H]3C[NH3+])c3c(C)noc3n2)c(C)o1 ZINC000160267061 508962394 /nfs/dbraw/zinc/96/23/94/508962394.db2.gz IXXAYVCYLHJUTB-ZDUSSCGKSA-N 1 0 354.410 2.971 20 70 FFIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)CCC(=O)OC(C)(C)C)C1 ZINC000160286543 508965238 /nfs/dbraw/zinc/96/52/38/508965238.db2.gz UZSOOVUAYJJTGG-IYBDPMFKSA-N 1 0 355.523 2.728 20 70 FFIDRO CC[C@](C)(O)C[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000160350517 508974382 /nfs/dbraw/zinc/97/43/82/508974382.db2.gz ZVPUCDXNHFKEGW-SFHVURJKSA-N 1 0 364.515 2.509 20 70 FFIDRO Cn1cc(C[C@H]2CC[N@@H+]([C@@H]3CCCN(c4ccccc4F)C3=O)C2)cn1 ZINC000160392602 508980017 /nfs/dbraw/zinc/98/00/17/508980017.db2.gz PORAVZLVESAXIH-DNVCBOLYSA-N 1 0 356.445 2.619 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2c2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000160398602 508981058 /nfs/dbraw/zinc/98/10/58/508981058.db2.gz IJDGHURVQSBCRR-LSTHTHJFSA-N 1 0 367.497 2.930 20 70 FFIDRO C[C@@H](CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160452686 508989242 /nfs/dbraw/zinc/98/92/42/508989242.db2.gz IMKHLHNUXLDVGU-CABCVRRESA-N 1 0 356.474 2.724 20 70 FFIDRO C[NH+](C)CCN(C(=O)NCc1cccc(N2CCCC2=O)c1)C1CCCC1 ZINC000160486682 508993821 /nfs/dbraw/zinc/99/38/21/508993821.db2.gz QXMAKMWVMUSJTJ-UHFFFAOYSA-N 1 0 372.513 2.829 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1OC1CCCCC1 ZINC000160504637 508996445 /nfs/dbraw/zinc/99/64/45/508996445.db2.gz TVAVZPJIRHUTID-QGZVFWFLSA-N 1 0 360.498 2.975 20 70 FFIDRO Cc1cccc2[nH]c(CNC(=O)c3ccccc3OCC[NH+](C)C)nc21 ZINC000160510401 508997060 /nfs/dbraw/zinc/99/70/60/508997060.db2.gz MFNTUQVMDZEXKJ-UHFFFAOYSA-N 1 0 352.438 2.742 20 70 FFIDRO O=C(CCc1cc(F)ccc1F)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160544361 509000391 /nfs/dbraw/zinc/00/03/91/509000391.db2.gz QPGNQWXTDCMADZ-OALUTQOASA-N 1 0 366.452 2.782 20 70 FFIDRO COc1cc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)ccc1OC(F)F ZINC000160542957 509000700 /nfs/dbraw/zinc/00/07/00/509000700.db2.gz YINYWPMJVQGRPO-QMMMGPOBSA-N 1 0 356.291 2.626 20 70 FFIDRO Cc1nc(-c2cccs2)sc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160547449 509001220 /nfs/dbraw/zinc/00/12/20/509001220.db2.gz NKLPAVNLDJONRV-UHFFFAOYSA-N 1 0 365.524 2.614 20 70 FFIDRO COCc1cccc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000160577315 509005034 /nfs/dbraw/zinc/00/50/34/509005034.db2.gz QTDDWCQHUIOOKQ-YOFSQIOKSA-N 1 0 372.513 2.608 20 70 FFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc([S@](C)=O)c(F)c2)CC1 ZINC000160578539 509005260 /nfs/dbraw/zinc/00/52/60/509005260.db2.gz AHWDKGWEYWMONY-JWUXSMFNSA-N 1 0 355.479 2.805 20 70 FFIDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000160581169 509006129 /nfs/dbraw/zinc/00/61/29/509006129.db2.gz ROQGTXWVQCQNLF-MRXNPFEDSA-N 1 0 359.514 2.953 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000160582168 509006143 /nfs/dbraw/zinc/00/61/43/509006143.db2.gz XUFLSTROYGDFSF-KRWDZBQOSA-N 1 0 359.514 2.905 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(Cl)c1F ZINC000160597234 509008576 /nfs/dbraw/zinc/00/85/76/509008576.db2.gz UZJKIUWKXLXYGM-HZPDHXFCSA-N 1 0 354.853 2.977 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(Cl)c1F ZINC000160597155 509008589 /nfs/dbraw/zinc/00/85/89/509008589.db2.gz UZJKIUWKXLXYGM-HOTGVXAUSA-N 1 0 354.853 2.977 20 70 FFIDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160604676 509008998 /nfs/dbraw/zinc/00/89/98/509008998.db2.gz JIAPATSHIWAPPR-QFIPXVFZSA-N 1 0 354.494 2.866 20 70 FFIDRO CCN(CC)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160642695 509013997 /nfs/dbraw/zinc/01/39/97/509013997.db2.gz KXAXFKBQAJUDEC-XYPWUTKMSA-N 1 0 353.507 2.717 20 70 FFIDRO Cn1cc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000160713521 509023801 /nfs/dbraw/zinc/02/38/01/509023801.db2.gz BFUWVWZLQRRMAP-MSOLQXFVSA-N 1 0 363.461 2.544 20 70 FFIDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cnn(C)c1 ZINC000160778091 509031885 /nfs/dbraw/zinc/03/18/85/509031885.db2.gz MIDDXWXPZWMNQW-AWEZNQCLSA-N 1 0 351.248 2.862 20 70 FFIDRO CN(Cc1cccn1C)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000160898402 509044866 /nfs/dbraw/zinc/04/48/66/509044866.db2.gz DYTHVAAMLVUJLM-UHFFFAOYSA-N 1 0 354.498 2.586 20 70 FFIDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H](O)c1ccsc1 ZINC000160901020 509045766 /nfs/dbraw/zinc/04/57/66/509045766.db2.gz ANPJHHIYWKZZTR-HZPDHXFCSA-N 1 0 363.483 2.901 20 70 FFIDRO Cc1cc(OCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc(C)c1Cl ZINC000160947138 509051608 /nfs/dbraw/zinc/05/16/08/509051608.db2.gz HVMZZDCHUQQSIM-MRXNPFEDSA-N 1 0 366.889 2.516 20 70 FFIDRO CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cccs1 ZINC000161003850 509058603 /nfs/dbraw/zinc/05/86/03/509058603.db2.gz PKCJKALVKZADJG-INIZCTEOSA-N 1 0 359.495 2.840 20 70 FFIDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000161008754 509059621 /nfs/dbraw/zinc/05/96/21/509059621.db2.gz BTZVGXHXMRMNDG-OAHLLOKOSA-N 1 0 369.465 2.540 20 70 FFIDRO CCC[C@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CCO1 ZINC000161026913 509061276 /nfs/dbraw/zinc/06/12/76/509061276.db2.gz SJOPGZZXTINTHF-IBGZPJMESA-N 1 0 363.502 2.728 20 70 FFIDRO CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000161066275 509066604 /nfs/dbraw/zinc/06/66/04/509066604.db2.gz SUVMHUVYDFXLPT-LPHOPBHVSA-N 1 0 359.514 2.905 20 70 FFIDRO CCN(Cc1ccccn1)[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000161078719 509067823 /nfs/dbraw/zinc/06/78/23/509067823.db2.gz QWMKWVUCPLNLSR-KRWDZBQOSA-N 1 0 368.481 2.664 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)c2cc(Br)ccc2OC)CC1 ZINC000161091652 509070635 /nfs/dbraw/zinc/07/06/35/509070635.db2.gz YGOBTYHJVMQFOE-UHFFFAOYSA-N 1 0 355.276 2.919 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000161106015 509072204 /nfs/dbraw/zinc/07/22/04/509072204.db2.gz NDAUAEUGAPHECT-AAEUAGOBSA-N 1 0 367.287 2.742 20 70 FFIDRO CCN(Cc1ccccn1)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161116223 509073606 /nfs/dbraw/zinc/07/36/06/509073606.db2.gz GLOIFKHTOYEHAH-WIYYLYMNSA-N 1 0 366.509 2.683 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000161121290 509074030 /nfs/dbraw/zinc/07/40/30/509074030.db2.gz OXAUWKSVSDYERN-UHFFFAOYSA-N 1 0 372.469 2.526 20 70 FFIDRO CCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[NH+](C)C ZINC000161162243 509078711 /nfs/dbraw/zinc/07/87/11/509078711.db2.gz KTXQBBURDDOSFS-KRWDZBQOSA-N 1 0 367.515 2.530 20 70 FFIDRO COCCC[NH+]1CCC(NC(=O)CSc2nccc3ccccc32)CC1 ZINC000161182526 509081961 /nfs/dbraw/zinc/08/19/61/509081961.db2.gz WCBGUQCQEQEGQR-UHFFFAOYSA-N 1 0 373.522 2.944 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000161192716 509083721 /nfs/dbraw/zinc/08/37/21/509083721.db2.gz SAKNPFSMYBIWDC-QWHCGFSZSA-N 1 0 355.276 2.735 20 70 FFIDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000161198775 509084816 /nfs/dbraw/zinc/08/48/16/509084816.db2.gz YNCJVCBCNPYMJS-UHFFFAOYSA-N 1 0 361.461 2.945 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@]2(C)CCCC[C@@H]2O)CC1 ZINC000161209174 509086425 /nfs/dbraw/zinc/08/64/25/509086425.db2.gz NEKAEWLNESJCFZ-LRQRDZAKSA-N 1 0 374.529 2.847 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CCC(=O)NC2CCCC2)CC1 ZINC000161230374 509088776 /nfs/dbraw/zinc/08/87/76/509088776.db2.gz VPVWVIBZXFJRCR-MRXNPFEDSA-N 1 0 372.513 2.562 20 70 FFIDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000161261459 509093850 /nfs/dbraw/zinc/09/38/50/509093850.db2.gz BVDGQZHZSNKDBO-UHFFFAOYSA-N 1 0 372.494 2.628 20 70 FFIDRO COc1ccc(-c2ccc(CNC(=O)C3(OC)CC[NH2+]CC3)cc2)cc1 ZINC000161266574 509093930 /nfs/dbraw/zinc/09/39/30/509093930.db2.gz FMCHXIKJQBXMQJ-UHFFFAOYSA-N 1 0 354.450 2.747 20 70 FFIDRO CC(=O)NC1CCC([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000161382007 509109022 /nfs/dbraw/zinc/10/90/22/509109022.db2.gz WFAZHQBVEDKLHS-QQFBHYJXSA-N 1 0 351.441 2.828 20 70 FFIDRO O=C1[C@H](N2CCC([C@H](O)C(F)(F)F)CC2)CCCN1c1ccccc1F ZINC000161397203 509111234 /nfs/dbraw/zinc/11/12/34/509111234.db2.gz WEPYKHNHFJPAQA-CVEARBPZSA-N 1 0 374.378 2.956 20 70 FFIDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CCN(C)CC1 ZINC000161419914 509113998 /nfs/dbraw/zinc/11/39/98/509113998.db2.gz SIJYIBFDUWQOTH-GFCCVEGCSA-N 1 0 354.292 2.850 20 70 FFIDRO CC(=O)NC1CCC([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000161429147 509114694 /nfs/dbraw/zinc/11/46/94/509114694.db2.gz GCKRZLXCPKAQJJ-UHFFFAOYSA-N 1 0 362.861 2.969 20 70 FFIDRO CC(C)n1nccc1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000161485266 509120267 /nfs/dbraw/zinc/12/02/67/509120267.db2.gz TXZKJFJHQYFMQG-UHFFFAOYSA-N 1 0 363.506 2.820 20 70 FFIDRO C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000161480434 509120622 /nfs/dbraw/zinc/12/06/22/509120622.db2.gz CVOZEPPUGLNGLV-CQSZACIVSA-N 1 0 373.497 2.953 20 70 FFIDRO CC1(C)Cc2cc(C[N@@H+]3CCCC[C@@H]3CCNS(C)(=O)=O)ccc2O1 ZINC000159405626 508837496 /nfs/dbraw/zinc/83/74/96/508837496.db2.gz VROBKKVBAZDHPR-QGZVFWFLSA-N 1 0 366.527 2.694 20 70 FFIDRO CN(C)c1ccccc1N(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159404805 508837648 /nfs/dbraw/zinc/83/76/48/508837648.db2.gz ZURBXSHJWSZFJG-FQEVSTJZSA-N 1 0 354.498 2.608 20 70 FFIDRO CC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)c1c(C)noc1C ZINC000159438162 508842164 /nfs/dbraw/zinc/84/21/64/508842164.db2.gz UVNFQEYTEORVOM-INIZCTEOSA-N 1 0 357.458 2.571 20 70 FFIDRO CCCOc1cccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000159437701 508842217 /nfs/dbraw/zinc/84/22/17/508842217.db2.gz DHGGCNMPRVPYLH-QGZVFWFLSA-N 1 0 354.516 2.769 20 70 FFIDRO Cc1c(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000159446772 508842953 /nfs/dbraw/zinc/84/29/53/508842953.db2.gz LAGNFIURDWNSNL-HKUYNNGSSA-N 1 0 367.497 2.652 20 70 FFIDRO O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159450184 508843752 /nfs/dbraw/zinc/84/37/52/508843752.db2.gz BSJDOOJKLLVXIH-CHWSQXEVSA-N 1 0 370.419 2.620 20 70 FFIDRO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)ccc1OCc1ccncc1 ZINC000159537779 508854829 /nfs/dbraw/zinc/85/48/29/508854829.db2.gz GUGFRLWHLMOTCU-CRAIPNDOSA-N 1 0 369.465 2.755 20 70 FFIDRO C[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)CC(C)(CO)CO ZINC000159584852 508862459 /nfs/dbraw/zinc/86/24/59/508862459.db2.gz KUTZAIGGYICWGN-UHFFFAOYSA-N 1 0 372.465 2.730 20 70 FFIDRO CC[C@@H](COC)[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000159621872 508866947 /nfs/dbraw/zinc/86/69/47/508866947.db2.gz WOFCOTNCZRBRPZ-LBPRGKRZSA-N 1 0 373.291 2.592 20 70 FFIDRO COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1C ZINC000159696396 508876603 /nfs/dbraw/zinc/87/66/03/508876603.db2.gz LICVFORGPIADST-CYBMUJFWSA-N 1 0 357.454 2.668 20 70 FFIDRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159733190 508882334 /nfs/dbraw/zinc/88/23/34/508882334.db2.gz VNCUDBMJZULOGG-MJGOQNOKSA-N 1 0 370.497 2.829 20 70 FFIDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cnn(C)c1 ZINC000159742257 508883132 /nfs/dbraw/zinc/88/31/32/508883132.db2.gz DIYWEEMNJPQBOR-SFHVURJKSA-N 1 0 364.453 2.624 20 70 FFIDRO Cc1cc(C(=O)Nc2c(C)cnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000159747235 508884306 /nfs/dbraw/zinc/88/43/06/508884306.db2.gz PCJIEQUTDDJCFH-QGZVFWFLSA-N 1 0 364.453 2.922 20 70 FFIDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cnc2c(c1)ncn2C ZINC000159751079 508884901 /nfs/dbraw/zinc/88/49/01/508884901.db2.gz RMWLQWGUJTVIME-UHFFFAOYSA-N 1 0 365.481 2.953 20 70 FFIDRO C[C@H](O)C1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000159753186 508885631 /nfs/dbraw/zinc/88/56/31/508885631.db2.gz PGNIBLYWEBPMSP-INIZCTEOSA-N 1 0 369.575 2.541 20 70 FFIDRO Cc1cc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c(Cl)cc1F ZINC000159816660 508895471 /nfs/dbraw/zinc/89/54/71/508895471.db2.gz FIFPNZZZNVYHJS-UHFFFAOYSA-N 1 0 355.822 2.828 20 70 FFIDRO Cc1cncc(/C=C/C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000159827646 508896775 /nfs/dbraw/zinc/89/67/75/508896775.db2.gz WHHWHEYSWCAFRZ-BDUNBXCCSA-N 1 0 357.479 2.654 20 70 FFIDRO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159848723 508900270 /nfs/dbraw/zinc/90/02/70/508900270.db2.gz LDZJOHHDTPTDMA-JKSUJKDBSA-N 1 0 358.486 2.820 20 70 FFIDRO O=C(CN1CCCC[C@@H]1CO)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000159877920 508904761 /nfs/dbraw/zinc/90/47/61/508904761.db2.gz NUIRURSFKNRHHD-OAHLLOKOSA-N 1 0 363.458 2.658 20 70 FFIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCCc1cccs1 ZINC000159901109 508908534 /nfs/dbraw/zinc/90/85/34/508908534.db2.gz KRHGHDFOKHAATG-GJZGRUSLSA-N 1 0 369.494 2.727 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCc3ccccc32)cc1 ZINC000159936951 508914359 /nfs/dbraw/zinc/91/43/59/508914359.db2.gz XQESCMGYIPTPQK-HZPDHXFCSA-N 1 0 373.522 2.697 20 70 FFIDRO CCC(CC)(CCO)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159987190 508920592 /nfs/dbraw/zinc/92/05/92/508920592.db2.gz GVAGSDXQNKOZLX-HKUYNNGSSA-N 1 0 361.530 2.995 20 70 FFIDRO COCCCOc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000159996757 508922219 /nfs/dbraw/zinc/92/22/19/508922219.db2.gz RFNKRGQSIRUOAD-NVXWUHKLSA-N 1 0 361.486 2.526 20 70 FFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000160067278 508933499 /nfs/dbraw/zinc/93/34/99/508933499.db2.gz ZTCRMRFCSZNSIA-LSDHHAIUSA-N 1 0 351.491 2.741 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c1 ZINC000160076915 508935093 /nfs/dbraw/zinc/93/50/93/508935093.db2.gz JCVVIPNYMLDCGY-AWEZNQCLSA-N 1 0 363.483 2.628 20 70 FFIDRO Cc1ccc(-c2nc(C)c(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)s2)o1 ZINC000160096217 508938116 /nfs/dbraw/zinc/93/81/16/508938116.db2.gz IARIIOKPATXQNT-CQSZACIVSA-N 1 0 363.483 2.597 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(COc2ccccc2)cc1 ZINC000160107346 508939705 /nfs/dbraw/zinc/93/97/05/508939705.db2.gz XXEGIZZJVOSPAN-FQEVSTJZSA-N 1 0 368.477 2.842 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000160141999 508945327 /nfs/dbraw/zinc/94/53/27/508945327.db2.gz RMVJMJKHDOOICM-CVEARBPZSA-N 1 0 362.522 2.656 20 70 FFIDRO CC[N@H+](C)CCNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000160149484 508946008 /nfs/dbraw/zinc/94/60/08/508946008.db2.gz MFAZAPWWYYSOJP-LJQANCHMSA-N 1 0 369.465 2.722 20 70 FFIDRO CCC[C@H]1CN(C(=O)NC[C@H](OC)c2ccccc2)CC[N@@H+]1CCOC ZINC000160151939 508946115 /nfs/dbraw/zinc/94/61/15/508946115.db2.gz FFOMBRNJIWDYTF-OALUTQOASA-N 1 0 363.502 2.516 20 70 FFIDRO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160169915 508949018 /nfs/dbraw/zinc/94/90/18/508949018.db2.gz JRILXVIOWWZAJT-SJLPKXTDSA-N 1 0 362.514 2.714 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)N[C@@H](CO)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160213455 508955231 /nfs/dbraw/zinc/95/52/31/508955231.db2.gz ALAXFGDOXJPGDL-UXPWSPDFSA-N 1 0 353.466 2.682 20 70 FFIDRO CC(=O)Nc1ccccc1C[NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000160237850 508958521 /nfs/dbraw/zinc/95/85/21/508958521.db2.gz NGAAFSPVWDIMID-LJQANCHMSA-N 1 0 357.454 2.710 20 70 FFIDRO Cc1cccc(-n2cc(C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)nn2)c1 ZINC000160275327 508963801 /nfs/dbraw/zinc/96/38/01/508963801.db2.gz PHLVGUSBILFFLD-QGZVFWFLSA-N 1 0 355.486 2.818 20 70 FFIDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)CCC(=O)OC(C)(C)C)C1 ZINC000160286680 508965128 /nfs/dbraw/zinc/96/51/28/508965128.db2.gz UZSOOVUAYJJTGG-HOTGVXAUSA-N 1 0 355.523 2.728 20 70 FFIDRO C[C@H](OC1CCCCCC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160300645 508967383 /nfs/dbraw/zinc/96/73/83/508967383.db2.gz HIJOTFUBPAQYJR-VDGAXYAQSA-N 1 0 366.546 2.998 20 70 FFIDRO CCOc1cc(C(=O)N2CC[C@@H]([NH3+])C2)ccc1OCCOc1ccccc1 ZINC000160311206 508968562 /nfs/dbraw/zinc/96/85/62/508968562.db2.gz XDUCPMKPQJMGGK-QGZVFWFLSA-N 1 0 370.449 2.716 20 70 FFIDRO C[C@H]1C[C@@H](NC(=O)NC[C@H](O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160323041 508969896 /nfs/dbraw/zinc/96/98/96/508969896.db2.gz XAQVWFAOFBYNBM-IOMROCGXSA-N 1 0 367.493 2.552 20 70 FFIDRO O=C(Cn1ccc2ccccc21)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160404327 508982221 /nfs/dbraw/zinc/98/22/21/508982221.db2.gz HEBKCSXOICMGIA-PMACEKPBSA-N 1 0 355.482 2.525 20 70 FFIDRO O=C(CCc1cccc(F)c1F)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160496188 508994614 /nfs/dbraw/zinc/99/46/14/508994614.db2.gz HNJBBAHOUHDOMD-MSOLQXFVSA-N 1 0 366.452 2.782 20 70 FFIDRO CC(C)[NH2+]C1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000160498542 508995603 /nfs/dbraw/zinc/99/56/03/508995603.db2.gz KVYRUVVEKBFXFI-HNNXBMFYSA-N 1 0 372.282 2.577 20 70 FFIDRO CC(C)(C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000160514746 508997308 /nfs/dbraw/zinc/99/73/08/508997308.db2.gz VAGMHOAWNFJOKW-IRXDYDNUSA-N 1 0 358.507 2.777 20 70 FFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccn(CCc3ccncc3)n2)CC1 ZINC000160514035 508997445 /nfs/dbraw/zinc/99/74/45/508997445.db2.gz RTIRFMKDUVCGKT-UHFFFAOYSA-N 1 0 370.501 2.763 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)c1c(F)cccc1I ZINC000160562832 509003821 /nfs/dbraw/zinc/00/38/21/509003821.db2.gz WESCTLDIZPBZFT-UHFFFAOYSA-N 1 0 364.202 2.678 20 70 FFIDRO C[C@H](CCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[NH+]1CCCCC1 ZINC000160578617 509005020 /nfs/dbraw/zinc/00/50/20/509005020.db2.gz AMHWBHWHPVXMLA-OAHLLOKOSA-N 1 0 356.474 2.868 20 70 FFIDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160628107 509012296 /nfs/dbraw/zinc/01/22/96/509012296.db2.gz HWTXDKUHSZACNA-YOEHRIQHSA-N 1 0 372.431 2.847 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000160658151 509015724 /nfs/dbraw/zinc/01/57/24/509015724.db2.gz JOHDCGCLQSGYRV-YESZJQIVSA-N 1 0 370.415 2.772 20 70 FFIDRO Cc1cccc(C)c1OCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160693675 509021194 /nfs/dbraw/zinc/02/11/94/509021194.db2.gz KGWFJDGJEAJCHZ-RTBURBONSA-N 1 0 360.498 2.566 20 70 FFIDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1C ZINC000160768855 509030596 /nfs/dbraw/zinc/03/05/96/509030596.db2.gz KSWVWKLVCAQFGI-PMACEKPBSA-N 1 0 360.498 2.566 20 70 FFIDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc(Cl)n1 ZINC000160784174 509032432 /nfs/dbraw/zinc/03/24/32/509032432.db2.gz GMZRLGSUNJHUQA-CVEARBPZSA-N 1 0 351.878 2.541 20 70 FFIDRO CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160824484 509037152 /nfs/dbraw/zinc/03/71/52/509037152.db2.gz DRGURMFUSQNBEL-SJLPKXTDSA-N 1 0 359.518 2.809 20 70 FFIDRO O=C(NC[C@H](O)c1ccsc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000160838500 509038503 /nfs/dbraw/zinc/03/85/03/509038503.db2.gz VYARSJUGTHSLFN-MSOLQXFVSA-N 1 0 359.495 2.918 20 70 FFIDRO CN(C)C(=O)c1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)ccc1F ZINC000160875036 509042385 /nfs/dbraw/zinc/04/23/85/509042385.db2.gz STQNHVUTMMFIKS-UHFFFAOYSA-N 1 0 364.465 2.769 20 70 FFIDRO CC(C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000160879632 509042829 /nfs/dbraw/zinc/04/28/29/509042829.db2.gz XMNRJGOBBJCJBD-DGCLKSJQSA-N 1 0 363.239 2.665 20 70 FFIDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160892704 509044104 /nfs/dbraw/zinc/04/41/04/509044104.db2.gz IKKSAVILPMLQMB-UHFFFAOYSA-N 1 0 354.454 2.535 20 70 FFIDRO Cn1cc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(C(F)(F)F)n1 ZINC000160899652 509045224 /nfs/dbraw/zinc/04/52/24/509045224.db2.gz VHIRZTUMNXZSEN-CQSZACIVSA-N 1 0 373.423 2.599 20 70 FFIDRO CC(C)c1ccccc1OCCC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000160913117 509047574 /nfs/dbraw/zinc/04/75/74/509047574.db2.gz ARFUJTVVOCRREJ-UHFFFAOYSA-N 1 0 361.530 2.721 20 70 FFIDRO CC(C)[NH+]1CCC(NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000160952228 509052319 /nfs/dbraw/zinc/05/23/19/509052319.db2.gz CMELFLITUZUDFB-HDICACEKSA-N 1 0 373.541 2.898 20 70 FFIDRO CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160967732 509055091 /nfs/dbraw/zinc/05/50/91/509055091.db2.gz LKUNXGREHWKRBL-QZTJIDSGSA-N 1 0 366.550 2.587 20 70 FFIDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c2ccccc21 ZINC000161009293 509059238 /nfs/dbraw/zinc/05/92/38/509059238.db2.gz CNMUWDHCYSNWIY-KUHUBIRLSA-N 1 0 351.450 2.630 20 70 FFIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161101118 509071428 /nfs/dbraw/zinc/07/14/28/509071428.db2.gz CSCPWOCWYCJODP-WBVHZDCISA-N 1 0 361.486 2.699 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)Cc2ccccn2)CC1 ZINC000161204820 509085914 /nfs/dbraw/zinc/08/59/14/509085914.db2.gz GBHSKXKLTOIGGY-MRXNPFEDSA-N 1 0 353.470 2.844 20 70 FFIDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000161245880 509091754 /nfs/dbraw/zinc/09/17/54/509091754.db2.gz JYJKHTJAEOHILX-LBPRGKRZSA-N 1 0 370.849 2.935 20 70 FFIDRO CCc1ccc([C@@H](NC(=O)[C@@H]([NH3+])CC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000161273756 509094790 /nfs/dbraw/zinc/09/47/90/509094790.db2.gz RVUNAMOOMXXDOG-RBUKOAKNSA-N 1 0 374.506 2.595 20 70 FFIDRO CC(C)NC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000161288989 509097591 /nfs/dbraw/zinc/09/75/91/509097591.db2.gz NPVCCMBMZFOPAI-IBGZPJMESA-N 1 0 371.456 2.997 20 70 FFIDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000161296667 509098533 /nfs/dbraw/zinc/09/85/33/509098533.db2.gz YNVPMSWSJSFRCT-WBMJQRKESA-N 1 0 363.845 2.784 20 70 FFIDRO CC(C)(C)CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000161338797 509103638 /nfs/dbraw/zinc/10/36/38/509103638.db2.gz ULGDCWWHEUKARW-HNNXBMFYSA-N 1 0 357.498 2.677 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000161342023 509104592 /nfs/dbraw/zinc/10/45/92/509104592.db2.gz VQVHVRHBHVCMKY-QGZVFWFLSA-N 1 0 357.498 2.515 20 70 FFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)C1 ZINC000161357951 509105983 /nfs/dbraw/zinc/10/59/83/509105983.db2.gz QSSUOPZZVJGTIB-NJAFHUGGSA-N 1 0 358.486 2.528 20 70 FFIDRO Cc1nc(-c2cccc(NC(=O)N[C@@H]3CCN(c4ccccn4)C3)c2)no1 ZINC000161446646 509116656 /nfs/dbraw/zinc/11/66/56/509116656.db2.gz QVJGRVLEVAWCLG-MRXNPFEDSA-N 1 0 364.409 2.840 20 70 FFIDRO C[C@H](Oc1ccc(Br)cc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161469765 509119325 /nfs/dbraw/zinc/11/93/25/509119325.db2.gz JPQSRUVIBCDKFX-YXQSOJMXSA-N 1 0 367.287 2.958 20 70 FFIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161494179 509122264 /nfs/dbraw/zinc/12/22/64/509122264.db2.gz AEVWLXODXJFBGT-CJNGLKHVSA-N 1 0 351.443 2.656 20 70 FFIDRO COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000217725551 509272391 /nfs/dbraw/zinc/27/23/91/509272391.db2.gz PEWNHUSGYHAAEV-OLZOCXBDSA-N 1 0 353.260 2.766 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000159373457 508832403 /nfs/dbraw/zinc/83/24/03/508832403.db2.gz QEFMZAQFAIBZMQ-YQQAZPJKSA-N 1 0 354.516 2.793 20 70 FFIDRO O=C(c1cccc(Nc2cnccn2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159399780 508836964 /nfs/dbraw/zinc/83/69/64/508836964.db2.gz LJZRMUFSVRYLAK-SFHVURJKSA-N 1 0 351.454 2.921 20 70 FFIDRO CC1(C)Cc2cccc(C[N@@H+]3CCCC[C@@H]3CCNS(C)(=O)=O)c2O1 ZINC000159404695 508837722 /nfs/dbraw/zinc/83/77/22/508837722.db2.gz DMWYMIRQGHECLP-QGZVFWFLSA-N 1 0 366.527 2.694 20 70 FFIDRO O=C1NCCN1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000159417515 508839143 /nfs/dbraw/zinc/83/91/43/508839143.db2.gz YNCRJOLVBGALKK-UHFFFAOYSA-N 1 0 358.269 2.862 20 70 FFIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159460739 508845463 /nfs/dbraw/zinc/84/54/63/508845463.db2.gz WYDPDXLCVXUSRN-GOSISDBHSA-N 1 0 361.534 2.964 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc3ccccc32)C1 ZINC000159477443 508847655 /nfs/dbraw/zinc/84/76/55/508847655.db2.gz DQNVHASLBPZSIB-INIZCTEOSA-N 1 0 353.466 2.872 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000159479030 508847729 /nfs/dbraw/zinc/84/77/29/508847729.db2.gz ASAQMBVYJNJSEZ-INIZCTEOSA-N 1 0 365.474 2.838 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000159477789 508847770 /nfs/dbraw/zinc/84/77/70/508847770.db2.gz PHAIHKHHFUOUJU-ZDUSSCGKSA-N 1 0 371.403 2.738 20 70 FFIDRO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000159480527 508847786 /nfs/dbraw/zinc/84/77/86/508847786.db2.gz BQMCKOKVBOLRNJ-CQSZACIVSA-N 1 0 351.878 2.681 20 70 FFIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159531057 508853546 /nfs/dbraw/zinc/85/35/46/508853546.db2.gz DUEAFXLUUJIATB-CHWSQXEVSA-N 1 0 372.435 2.914 20 70 FFIDRO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OCc1ccncc1 ZINC000159537939 508854232 /nfs/dbraw/zinc/85/42/32/508854232.db2.gz GUGFRLWHLMOTCU-MAUKXSAKSA-N 1 0 369.465 2.755 20 70 FFIDRO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159534022 508854404 /nfs/dbraw/zinc/85/44/04/508854404.db2.gz QZBLWBUAUTULST-DOMZBBRYSA-N 1 0 355.276 2.789 20 70 FFIDRO CC(C)c1nc(C(=O)NCC2([NH3+])CCCCC2)nn1-c1cccc(F)c1 ZINC000159546444 508856266 /nfs/dbraw/zinc/85/62/66/508856266.db2.gz WYAQOVNZJOUCIK-UHFFFAOYSA-N 1 0 359.449 2.921 20 70 FFIDRO CCN(C(=O)NC[C@@H](C)Cn1cccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159549025 508857069 /nfs/dbraw/zinc/85/70/69/508857069.db2.gz XQFLDVAJWSIAMM-QUCCMNQESA-N 1 0 369.513 2.825 20 70 FFIDRO C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000159630084 508868740 /nfs/dbraw/zinc/86/87/40/508868740.db2.gz GNDHPMSWYPLNEI-CZUORRHYSA-N 1 0 352.425 2.860 20 70 FFIDRO CCC(CC)n1nccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000159647786 508871259 /nfs/dbraw/zinc/87/12/59/508871259.db2.gz QYIRYRCHJPISKD-IEBWSBKVSA-N 1 0 362.518 2.742 20 70 FFIDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cn(C)nc3C)CC2)cc1 ZINC000159658014 508872018 /nfs/dbraw/zinc/87/20/18/508872018.db2.gz ILCRXWVSEGFGKD-UHFFFAOYSA-N 1 0 356.470 2.522 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)CC1 ZINC000159754495 508885562 /nfs/dbraw/zinc/88/55/62/508885562.db2.gz FUQUCBUJZNVIQI-UHFFFAOYSA-N 1 0 359.449 2.557 20 70 FFIDRO CC(C)n1nc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c2ccccc2c1=O ZINC000159754554 508885576 /nfs/dbraw/zinc/88/55/76/508885576.db2.gz KWEGMYZUSASBIK-UHFFFAOYSA-N 1 0 368.481 2.582 20 70 FFIDRO CCOC(=O)Nc1ccc2c(C[N@H+](C)C[C@@H]3CCC[C@@H]3O)cc(=O)oc2c1 ZINC000159764028 508887360 /nfs/dbraw/zinc/88/73/60/508887360.db2.gz OJOIAFAVJSGARW-GUYCJALGSA-N 1 0 374.437 2.954 20 70 FFIDRO CCc1nnc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)s1 ZINC000159774877 508889334 /nfs/dbraw/zinc/88/93/34/508889334.db2.gz VYSQBQAUBPFENI-GFCCVEGCSA-N 1 0 360.487 2.843 20 70 FFIDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)CC2 ZINC000159794336 508891831 /nfs/dbraw/zinc/89/18/31/508891831.db2.gz QWOJSRVAUNJCMK-FZMZJTMJSA-N 1 0 365.275 2.853 20 70 FFIDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000159805262 508893337 /nfs/dbraw/zinc/89/33/37/508893337.db2.gz RVNXCMPPWYCAIU-GJZGRUSLSA-N 1 0 351.878 2.845 20 70 FFIDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cccc(=O)n2C)C1 ZINC000159816934 508895534 /nfs/dbraw/zinc/89/55/34/508895534.db2.gz OKLQHAJZUAPGEK-IRXDYDNUSA-N 1 0 367.493 2.793 20 70 FFIDRO CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159820752 508896329 /nfs/dbraw/zinc/89/63/29/508896329.db2.gz ZBPCIVGIZYPIGB-KRWDZBQOSA-N 1 0 372.509 2.966 20 70 FFIDRO C[C@H](C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)N1CCc2ccccc2C1 ZINC000159831348 508897653 /nfs/dbraw/zinc/89/76/53/508897653.db2.gz IYRNKFJDIZTVSU-IAGOWNOFSA-N 1 0 362.481 2.760 20 70 FFIDRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159855511 508900990 /nfs/dbraw/zinc/90/09/90/508900990.db2.gz HOLXNUUURBQOQZ-GJZGRUSLSA-N 1 0 367.457 2.723 20 70 FFIDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(-c2nc[nH]n2)c1 ZINC000159944619 508914961 /nfs/dbraw/zinc/91/49/61/508914961.db2.gz BHUDVCNBOOLYDC-UHFFFAOYSA-N 1 0 361.449 2.998 20 70 FFIDRO C[NH+]1CCC(Oc2ccc(NCc3ccc4c(c3)OCCO4)cn2)CC1 ZINC000160081629 508935801 /nfs/dbraw/zinc/93/58/01/508935801.db2.gz UIPGNLOZTDQIGM-UHFFFAOYSA-N 1 0 355.438 2.938 20 70 FFIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000160101975 508939083 /nfs/dbraw/zinc/93/90/83/508939083.db2.gz JBMXTIMOIBPHPN-DOTOQJQBSA-N 1 0 356.474 2.502 20 70 FFIDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1cc(F)c(F)cc1F ZINC000160113348 508940305 /nfs/dbraw/zinc/94/03/05/508940305.db2.gz JWICVNOKIPSJDS-UHFFFAOYSA-N 1 0 351.372 2.632 20 70 FFIDRO CN(Cc1ccccn1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000160115824 508940530 /nfs/dbraw/zinc/94/05/30/508940530.db2.gz GGFHONKBHHTJGF-UHFFFAOYSA-N 1 0 353.466 2.558 20 70 FFIDRO COc1c(C)cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000160121881 508940940 /nfs/dbraw/zinc/94/09/40/508940940.db2.gz LJNDMKZICYSMDP-KRWDZBQOSA-N 1 0 366.527 2.951 20 70 FFIDRO CCSCC[N@@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000160130992 508943163 /nfs/dbraw/zinc/94/31/63/508943163.db2.gz ISDRMYYLJSPUEU-UHFFFAOYSA-N 1 0 350.528 2.915 20 70 FFIDRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000160135056 508943656 /nfs/dbraw/zinc/94/36/56/508943656.db2.gz MUHSZCYAVQKECE-FOIQADDNSA-N 1 0 365.518 2.624 20 70 FFIDRO CCOc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000160138235 508944408 /nfs/dbraw/zinc/94/44/08/508944408.db2.gz BLNLTPPPVWIJRA-INIZCTEOSA-N 1 0 352.500 2.724 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCCN(CC(F)F)CC1)CC(C)C ZINC000160138744 508944506 /nfs/dbraw/zinc/94/45/06/508944506.db2.gz WWBXFTCBPQILTH-INIZCTEOSA-N 1 0 362.509 2.725 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)CN1CCc2cc(F)ccc2C1)c1ccccc1 ZINC000160226622 508956563 /nfs/dbraw/zinc/95/65/63/508956563.db2.gz NZFPIDPHDXAPNU-FQEVSTJZSA-N 1 0 355.457 2.603 20 70 FFIDRO C[C@H]1C[C@H](NC(=O)N(C)CCc2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000160223225 508957055 /nfs/dbraw/zinc/95/70/55/508957055.db2.gz RUKRDVFQRLJCDG-PXNSSMCTSA-N 1 0 352.482 2.929 20 70 FFIDRO O=C(CCC(=O)NC1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000160234154 508958608 /nfs/dbraw/zinc/95/86/08/508958608.db2.gz WRWQKIKOJOIFQB-UHFFFAOYSA-N 1 0 357.498 2.738 20 70 FFIDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(N3CCCCC3=O)CC2)CC1 ZINC000160274576 508964158 /nfs/dbraw/zinc/96/41/58/508964158.db2.gz JOAFCRZFRFTCTB-UHFFFAOYSA-N 1 0 363.546 2.748 20 70 FFIDRO CCCNC(=O)c1cccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000160326607 508970853 /nfs/dbraw/zinc/97/08/53/508970853.db2.gz RVTXZVLKPQIUKQ-UHFFFAOYSA-N 1 0 374.529 2.842 20 70 FFIDRO COc1ccc(CCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160329545 508971848 /nfs/dbraw/zinc/97/18/48/508971848.db2.gz RYPDQFRFMOJVSI-SFTDATJTSA-N 1 0 374.525 2.902 20 70 FFIDRO COc1cccc(CCC[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000160349179 508974470 /nfs/dbraw/zinc/97/44/70/508974470.db2.gz ZTTGNYDYIKGFBY-HNNXBMFYSA-N 1 0 362.495 2.968 20 70 FFIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000160369891 508976875 /nfs/dbraw/zinc/97/68/75/508976875.db2.gz BQBIAMHJEPDIMZ-SJORKVTESA-N 1 0 370.522 2.623 20 70 FFIDRO CCc1ccc([C@@H](CNC(=O)c2cccc(-n3ccnn3)c2)[NH+](C)C)cc1 ZINC000160376139 508977543 /nfs/dbraw/zinc/97/75/43/508977543.db2.gz HHGWHCYSKDJNDL-HXUWFJFHSA-N 1 0 363.465 2.862 20 70 FFIDRO COc1cccc(F)c1[C@@H](C)NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160467529 508991397 /nfs/dbraw/zinc/99/13/97/508991397.db2.gz LTAQUTIUZKMVCA-QAPCUYQASA-N 1 0 373.472 2.904 20 70 FFIDRO Cc1c(/C=C/C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cnn1C ZINC000160519966 508998000 /nfs/dbraw/zinc/99/80/00/508998000.db2.gz GGBGTWBZZNUJDU-BJMVGYQFSA-N 1 0 367.497 2.911 20 70 FFIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160541876 509000355 /nfs/dbraw/zinc/00/03/55/509000355.db2.gz RQISZVZHBKKOIF-MSOLQXFVSA-N 1 0 352.519 2.778 20 70 FFIDRO CC1CC[NH+](CCNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)CC1 ZINC000160554444 509002151 /nfs/dbraw/zinc/00/21/51/509002151.db2.gz XSOWARNCKZDFGP-UHFFFAOYSA-N 1 0 359.514 2.811 20 70 FFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)CCc2cccc(C(=O)NC)c2)c1 ZINC000160596683 509007745 /nfs/dbraw/zinc/00/77/45/509007745.db2.gz JCQYCIMJUXWFID-UHFFFAOYSA-N 1 0 367.493 2.747 20 70 FFIDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160604550 509009388 /nfs/dbraw/zinc/00/93/88/509009388.db2.gz JIAPATSHIWAPPR-JOCHJYFZSA-N 1 0 354.494 2.866 20 70 FFIDRO CC(C)(O)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000160622662 509011797 /nfs/dbraw/zinc/01/17/97/509011797.db2.gz LRNDVZZRHDAKJU-LBPRGKRZSA-N 1 0 361.223 2.865 20 70 FFIDRO O=C(COc1ccccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160650098 509014716 /nfs/dbraw/zinc/01/47/16/509014716.db2.gz QXXKFJUONGVMGI-SJORKVTESA-N 1 0 366.889 2.603 20 70 FFIDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160661033 509015721 /nfs/dbraw/zinc/01/57/21/509015721.db2.gz RHWBOSWTSIQBKX-KGLIPLIRSA-N 1 0 353.488 2.684 20 70 FFIDRO COc1cc(CN(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c(SC)cc1OC ZINC000160674597 509018804 /nfs/dbraw/zinc/01/88/04/509018804.db2.gz PBQQEUBHBHRIGC-TZMCWYRMSA-N 1 0 352.500 2.902 20 70 FFIDRO Cc1[nH]c2ccccc2c1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160685397 509020316 /nfs/dbraw/zinc/02/03/16/509020316.db2.gz MXIQDABWLLJZDJ-RTWAWAEBSA-N 1 0 369.509 2.903 20 70 FFIDRO CC[C@@H](O)CCNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000160701212 509022647 /nfs/dbraw/zinc/02/26/47/509022647.db2.gz ODYIEXWLBXMLFJ-IEBWSBKVSA-N 1 0 363.502 2.682 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)C1 ZINC000160701835 509022745 /nfs/dbraw/zinc/02/27/45/509022745.db2.gz RGOGDFNNVOCQBO-CQSZACIVSA-N 1 0 361.442 2.882 20 70 FFIDRO CCOCCC1(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CCC1 ZINC000160730330 509025923 /nfs/dbraw/zinc/02/59/23/509025923.db2.gz TVFXZUQYFAIJKM-IBGZPJMESA-N 1 0 360.498 2.601 20 70 FFIDRO CC[C@H](O)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000160731426 509026203 /nfs/dbraw/zinc/02/62/03/509026203.db2.gz LBDHBVWISDFGSJ-HOTGVXAUSA-N 1 0 353.532 2.981 20 70 FFIDRO CCCNC(=O)CN1CCC([NH2+][C@H](CC)c2ccc(F)cc2F)CC1 ZINC000160746541 509027997 /nfs/dbraw/zinc/02/79/97/509027997.db2.gz SQKBAICLNKMWBV-GOSISDBHSA-N 1 0 353.457 2.996 20 70 FFIDRO CCOc1ccccc1CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160747445 509028348 /nfs/dbraw/zinc/02/83/48/509028348.db2.gz IVIQIGKOLREYTE-PMACEKPBSA-N 1 0 374.525 2.902 20 70 FFIDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccn(CC(F)(F)F)n2)cc1 ZINC000160772120 509031150 /nfs/dbraw/zinc/03/11/50/509031150.db2.gz UZPBEWZGLRUXRZ-UHFFFAOYSA-N 1 0 355.364 2.829 20 70 FFIDRO CCCCN(Cc1cnc(C)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160773602 509031382 /nfs/dbraw/zinc/03/13/82/509031382.db2.gz FNHBQMMHZDLLAQ-GOSISDBHSA-N 1 0 361.511 2.970 20 70 FFIDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc(Cl)n1 ZINC000160784539 509032682 /nfs/dbraw/zinc/03/26/82/509032682.db2.gz GMZRLGSUNJHUQA-JKSUJKDBSA-N 1 0 351.878 2.541 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000160792261 509033472 /nfs/dbraw/zinc/03/34/72/509033472.db2.gz RFOAMLFJEJAHJO-INIZCTEOSA-N 1 0 370.501 2.972 20 70 FFIDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2cc(OC)ccc2Br)C1 ZINC000160825340 509037138 /nfs/dbraw/zinc/03/71/38/509037138.db2.gz IXIVBTYEIDZXRY-AWEZNQCLSA-N 1 0 369.303 2.943 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ncccc2F)CC1 ZINC000160901873 509046037 /nfs/dbraw/zinc/04/60/37/509046037.db2.gz PWEYHSBDGMNQPN-CQSZACIVSA-N 1 0 357.433 2.641 20 70 FFIDRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(CCC(F)(F)F)cc2)CC1 ZINC000160911847 509047248 /nfs/dbraw/zinc/04/72/48/509047248.db2.gz TVICUEYLNFBBAP-UHFFFAOYSA-N 1 0 371.447 2.937 20 70 FFIDRO CCOC(=O)CC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160926978 509048679 /nfs/dbraw/zinc/04/86/79/509048679.db2.gz ICEPJZPEGLGKMH-GOSISDBHSA-N 1 0 367.534 2.872 20 70 FFIDRO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H](O)Cc1ccccc1 ZINC000160963819 509054453 /nfs/dbraw/zinc/05/44/53/509054453.db2.gz LPNPVGWECXRHLL-WDSOQIARSA-N 1 0 371.481 2.708 20 70 FFIDRO CC(C)[NH+](CCS[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)C(C)C ZINC000160976345 509055664 /nfs/dbraw/zinc/05/56/64/509055664.db2.gz POCABTQELMCFSC-AWEZNQCLSA-N 1 0 351.516 2.965 20 70 FFIDRO C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(NC(N)=O)cc1 ZINC000161020265 509060490 /nfs/dbraw/zinc/06/04/90/509060490.db2.gz CECWFZQHERJVPK-KDOFPFPSSA-N 1 0 369.469 2.840 20 70 FFIDRO C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(NC(N)=O)cc1 ZINC000161020403 509060853 /nfs/dbraw/zinc/06/08/53/509060853.db2.gz CECWFZQHERJVPK-KBXCAEBGSA-N 1 0 369.469 2.840 20 70 FFIDRO CCC1(CC)[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1OC ZINC000161041213 509063922 /nfs/dbraw/zinc/06/39/22/509063922.db2.gz GPSLSWQEHNBJFF-MOPGFXCFSA-N 1 0 374.529 2.939 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 ZINC000161133925 509075461 /nfs/dbraw/zinc/07/54/61/509075461.db2.gz BTDLAUTVGDLCSC-UHFFFAOYSA-N 1 0 355.438 2.994 20 70 FFIDRO CCC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[NH+](C)C ZINC000161162377 509078845 /nfs/dbraw/zinc/07/88/45/509078845.db2.gz KTXQBBURDDOSFS-QGZVFWFLSA-N 1 0 367.515 2.530 20 70 FFIDRO CCc1ccc(-n2nc(C(=O)N3CCC[C@@H]3C[NH2+]C)c3c2CCC3)cc1 ZINC000161172524 509080574 /nfs/dbraw/zinc/08/05/74/509080574.db2.gz ZGJCPAFWSNYOLG-QGZVFWFLSA-N 1 0 352.482 2.747 20 70 FFIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000161170584 509080686 /nfs/dbraw/zinc/08/06/86/509080686.db2.gz AFUVKUBORBIAJL-BZSNNMDCSA-N 1 0 361.486 2.619 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)cc2)n1 ZINC000161187577 509082441 /nfs/dbraw/zinc/08/24/41/509082441.db2.gz DTRYOTQEBNTLPK-SFHVURJKSA-N 1 0 368.485 2.868 20 70 FFIDRO O[C@H](C1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1)C(F)(F)F ZINC000161205552 509085499 /nfs/dbraw/zinc/08/54/99/509085499.db2.gz AHUPSAMFMCAJDH-MRXNPFEDSA-N 1 0 361.360 2.819 20 70 FFIDRO CC(C)(C)[C@@H](CCO)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000161207538 509085883 /nfs/dbraw/zinc/08/58/83/509085883.db2.gz AVRMDYQFDZTIPZ-NVXWUHKLSA-N 1 0 351.491 2.903 20 70 FFIDRO Cc1ccc([C@@H](CNC(=O)N2CCCN(CC(F)F)CC2)[NH+](C)C)cc1 ZINC000161210329 509086780 /nfs/dbraw/zinc/08/67/80/509086780.db2.gz DSPCHIZAYYDOFY-QGZVFWFLSA-N 1 0 368.472 2.580 20 70 FFIDRO CC(C)Sc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161213810 509086806 /nfs/dbraw/zinc/08/68/06/509086806.db2.gz FGBDVNBRBCABPE-UHFFFAOYSA-N 1 0 361.511 2.869 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000161259198 509093371 /nfs/dbraw/zinc/09/33/71/509093371.db2.gz JYNWUPKJBUFUBH-IBGZPJMESA-N 1 0 351.450 2.787 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN(C)CC[C@H]3CCCC[N@@H+]3C)c2c1 ZINC000161273640 509094847 /nfs/dbraw/zinc/09/48/47/509094847.db2.gz GASDZDCTKRCWRA-MRXNPFEDSA-N 1 0 371.481 2.943 20 70 FFIDRO CC[C@@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCN1CC(F)F ZINC000161309852 509100447 /nfs/dbraw/zinc/10/04/47/509100447.db2.gz SPPOFKGWOJTBFC-MRXNPFEDSA-N 1 0 359.505 2.932 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)C2CCC(CO)CC2)CC1 ZINC000161312910 509100783 /nfs/dbraw/zinc/10/07/83/509100783.db2.gz GKQFAININCFTHG-ZRZPHAQCSA-N 1 0 374.529 2.800 20 70 FFIDRO Cc1c(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cnn1CCC(C)C ZINC000161342203 509104225 /nfs/dbraw/zinc/10/42/25/509104225.db2.gz LKRZIIPSDSWABB-KRWDZBQOSA-N 1 0 365.522 2.596 20 70 FFIDRO CSC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000161382003 509109442 /nfs/dbraw/zinc/10/94/42/509109442.db2.gz XJLRHBSTHIHPPO-SZMVWBNQSA-N 1 0 370.607 2.717 20 70 FFIDRO Cc1c(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1CCC(C)C ZINC000161398171 509111655 /nfs/dbraw/zinc/11/16/55/509111655.db2.gz MBWBJJOQKWLIEB-IYBDPMFKSA-N 1 0 365.522 2.858 20 70 FFIDRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccc2c(c1)CCCC2 ZINC000161413300 509113024 /nfs/dbraw/zinc/11/30/24/509113024.db2.gz LXBOVWLVEHZZNP-MRXNPFEDSA-N 1 0 359.514 2.725 20 70 FFIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161494302 509121835 /nfs/dbraw/zinc/12/18/35/509121835.db2.gz AEVWLXODXJFBGT-XJKSGUPXSA-N 1 0 351.443 2.656 20 70 FFIDRO CNC(=O)c1cccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000161493650 509122259 /nfs/dbraw/zinc/12/22/59/509122259.db2.gz BGLCDKKLJQZZKR-UHFFFAOYSA-N 1 0 357.498 2.819 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(N(C)C(C)C)c2)C1 ZINC000159437659 508842149 /nfs/dbraw/zinc/84/21/49/508842149.db2.gz XEAQRVBSLJSXOQ-QGZVFWFLSA-N 1 0 374.529 2.564 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3F)cn2)CC1 ZINC000159440070 508842233 /nfs/dbraw/zinc/84/22/33/508842233.db2.gz DBKKLEBRQKODPQ-UHFFFAOYSA-N 1 0 356.445 2.889 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000159465308 508846132 /nfs/dbraw/zinc/84/61/32/508846132.db2.gz NQTJQDALWXRZSH-GOSISDBHSA-N 1 0 363.465 2.811 20 70 FFIDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159474578 508846902 /nfs/dbraw/zinc/84/69/02/508846902.db2.gz ZCDYEWKZYVDKFS-MJGOQNOKSA-N 1 0 370.497 2.911 20 70 FFIDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000159484582 508848440 /nfs/dbraw/zinc/84/84/40/508848440.db2.gz YZSCPUBKVLOULD-HOTGVXAUSA-N 1 0 357.498 2.677 20 70 FFIDRO Cc1cc(C(=O)NCCCC[NH+]2CCOCC2)ccc1Br ZINC000159494781 508849415 /nfs/dbraw/zinc/84/94/15/508849415.db2.gz CXFASGULPOPNGC-UHFFFAOYSA-N 1 0 355.276 2.600 20 70 FFIDRO Cc1cccc2nc(CNC(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)cn21 ZINC000159543513 508856157 /nfs/dbraw/zinc/85/61/57/508856157.db2.gz VWTIIWKDRAZWRP-GOSISDBHSA-N 1 0 355.486 2.803 20 70 FFIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000159550203 508857271 /nfs/dbraw/zinc/85/72/71/508857271.db2.gz MUNAHVIJSSIMMA-GOSISDBHSA-N 1 0 371.481 2.532 20 70 FFIDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000159563646 508858665 /nfs/dbraw/zinc/85/86/65/508858665.db2.gz DZQVVJRDEYUYPI-MRXNPFEDSA-N 1 0 354.541 2.633 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000159562170 508858884 /nfs/dbraw/zinc/85/88/84/508858884.db2.gz XAPJHXVPHMLPQJ-UHFFFAOYSA-N 1 0 369.513 2.785 20 70 FFIDRO O=C(c1cc(-c2cccs2)n[nH]1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159576401 508860426 /nfs/dbraw/zinc/86/04/26/508860426.db2.gz DSNUNMOTEMZIKS-HNNXBMFYSA-N 1 0 374.510 2.855 20 70 FFIDRO COCCC[NH+]1CCC(NC(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000159598015 508863493 /nfs/dbraw/zinc/86/34/93/508863493.db2.gz PHHLCCJWNLYMCT-UHFFFAOYSA-N 1 0 351.495 2.552 20 70 FFIDRO COc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OCc1cccnc1 ZINC000159643788 508870539 /nfs/dbraw/zinc/87/05/39/508870539.db2.gz NAYYFOIBYPHXFX-MAUKXSAKSA-N 1 0 369.465 2.755 20 70 FFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000159644620 508870556 /nfs/dbraw/zinc/87/05/56/508870556.db2.gz VIDOEVOIRBLADU-YPMHNXCESA-N 1 0 365.271 2.811 20 70 FFIDRO Cc1cc(C)n(-c2ccccc2CNC(=O)N(CC[NH+](C)C)C(C)C)n1 ZINC000159676800 508874229 /nfs/dbraw/zinc/87/42/29/508874229.db2.gz VOCFJRAJZFESFV-UHFFFAOYSA-N 1 0 357.502 2.971 20 70 FFIDRO CCS(=O)(=O)c1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159704394 508877872 /nfs/dbraw/zinc/87/78/72/508877872.db2.gz NVFKRBZEQFKEJN-UHFFFAOYSA-N 1 0 352.500 2.522 20 70 FFIDRO Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC3([NH3+])CCCCC3)C2)cc1 ZINC000159703837 508878228 /nfs/dbraw/zinc/87/82/28/508878228.db2.gz PULFSMIPMSJVMI-GOSISDBHSA-N 1 0 357.498 2.625 20 70 FFIDRO C[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000159730671 508881392 /nfs/dbraw/zinc/88/13/92/508881392.db2.gz WDHADPNDHWWGMM-APWZRJJASA-N 1 0 368.481 2.781 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H](CCO)c1ccccc1 ZINC000159738329 508883195 /nfs/dbraw/zinc/88/31/95/508883195.db2.gz FVCUWNUTNUFTQB-UIFIKXQLSA-N 1 0 367.493 2.930 20 70 FFIDRO COCC[C@H](C)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCC(C)CC1 ZINC000159957343 508917649 /nfs/dbraw/zinc/91/76/49/508917649.db2.gz SASAWNOTQPHRFH-KRWDZBQOSA-N 1 0 368.543 2.763 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000159962705 508918563 /nfs/dbraw/zinc/91/85/63/508918563.db2.gz XKQCASBMDCPFHO-INIZCTEOSA-N 1 0 355.486 2.979 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000159982241 508921052 /nfs/dbraw/zinc/92/10/52/508921052.db2.gz VCVPLSHBKWGEQY-LJQANCHMSA-N 1 0 373.884 2.979 20 70 FFIDRO O=C(CSCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000159993602 508921346 /nfs/dbraw/zinc/92/13/46/508921346.db2.gz AQGRVCKXTCUPEK-GASCZTMLSA-N 1 0 352.887 2.609 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000159997465 508922590 /nfs/dbraw/zinc/92/25/90/508922590.db2.gz GJZHCIBSYQSNCR-UHFFFAOYSA-N 1 0 361.273 2.504 20 70 FFIDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000160002065 508923404 /nfs/dbraw/zinc/92/34/04/508923404.db2.gz WFRAQJLZDVJQAC-IEBWSBKVSA-N 1 0 365.543 2.702 20 70 FFIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)/C=C/c2ccc(Cl)nc2)C[C@@H](C)O1 ZINC000160005845 508924408 /nfs/dbraw/zinc/92/44/08/508924408.db2.gz SWQVMXYFQFXPHS-BFOUZKJOSA-N 1 0 363.889 2.848 20 70 FFIDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccnc1-c1ccccc1)[NH+](C)C ZINC000160042156 508929203 /nfs/dbraw/zinc/92/92/03/508929203.db2.gz CALCYHDAMCXSFL-QGZVFWFLSA-N 1 0 368.481 2.780 20 70 FFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000160062862 508932565 /nfs/dbraw/zinc/93/25/65/508932565.db2.gz YGWGGHCIZZWGJY-FQEVSTJZSA-N 1 0 370.472 2.986 20 70 FFIDRO CCOCCC1(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000160074496 508934353 /nfs/dbraw/zinc/93/43/53/508934353.db2.gz IASDWMIQDSFHJV-KSZLIROESA-N 1 0 354.535 2.833 20 70 FFIDRO Cn1ccnc1SCc1cccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000160109439 508939399 /nfs/dbraw/zinc/93/93/99/508939399.db2.gz BCVWOSNWDFMFRA-QGZVFWFLSA-N 1 0 358.511 2.782 20 70 FFIDRO C[C@H](CNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000160151837 508945804 /nfs/dbraw/zinc/94/58/04/508945804.db2.gz HDQQQDUDNYJZHG-LSDHHAIUSA-N 1 0 371.447 2.951 20 70 FFIDRO CSCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000160152062 508945964 /nfs/dbraw/zinc/94/59/64/508945964.db2.gz DJDDLMDIBRKXIB-CQSZACIVSA-N 1 0 374.428 2.606 20 70 FFIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000160156890 508946740 /nfs/dbraw/zinc/94/67/40/508946740.db2.gz RFRRWPJTEBJLNH-RISCZKNCSA-N 1 0 354.907 2.994 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1F ZINC000160155539 508946946 /nfs/dbraw/zinc/94/69/46/508946946.db2.gz KYURZPVADDIWPG-SJORKVTESA-N 1 0 354.853 2.977 20 70 FFIDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCC(C)(C)c2ccccc2)CC1 ZINC000160158678 508947859 /nfs/dbraw/zinc/94/78/59/508947859.db2.gz IHMUMIMPYULTII-LJQANCHMSA-N 1 0 371.525 2.509 20 70 FFIDRO CSC[C@@](C)(O)CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000160200009 508953484 /nfs/dbraw/zinc/95/34/84/508953484.db2.gz RCJUMAAKHNDLHC-BEFAXECRSA-N 1 0 365.543 2.625 20 70 FFIDRO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160279483 508964103 /nfs/dbraw/zinc/96/41/03/508964103.db2.gz FZZZVFTVRDBBTK-AWEZNQCLSA-N 1 0 350.846 2.971 20 70 FFIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000160313603 508969565 /nfs/dbraw/zinc/96/95/65/508969565.db2.gz YGYBEZRQLRLYCW-OCCSQVGLSA-N 1 0 371.407 2.926 20 70 FFIDRO C[C@@]1(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCCc2ccccc21 ZINC000160330386 508971662 /nfs/dbraw/zinc/97/16/62/508971662.db2.gz SKLAWBBVWHJGAE-JOCHJYFZSA-N 1 0 356.510 2.851 20 70 FFIDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1 ZINC000160379187 508978366 /nfs/dbraw/zinc/97/83/66/508978366.db2.gz LYKBJDJXEWGXLU-CQSZACIVSA-N 1 0 369.456 2.800 20 70 FFIDRO C[C@H]1C[C@@H]([NH2+]C2CCN(CC(=O)N(C)C)CC2)c2ccsc2S1 ZINC000160386292 508979727 /nfs/dbraw/zinc/97/97/27/508979727.db2.gz VZUTXBPURGWEAN-SWLSCSKDSA-N 1 0 353.557 2.816 20 70 FFIDRO CN(C)c1ccccc1NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000160401045 508982200 /nfs/dbraw/zinc/98/22/00/508982200.db2.gz HBHQHPCCRWPNFI-JWTNVVGKSA-N 1 0 371.529 2.527 20 70 FFIDRO Cc1ccc(O[C@H](C)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160428312 508985363 /nfs/dbraw/zinc/98/53/63/508985363.db2.gz PPNQIFGKZKKCAH-UXPWSPDFSA-N 1 0 360.498 2.646 20 70 FFIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)C(C)(C)O1 ZINC000160432850 508986160 /nfs/dbraw/zinc/98/61/60/508986160.db2.gz WPWJWZCOVXUVAQ-QGZVFWFLSA-N 1 0 366.527 2.907 20 70 FFIDRO COC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc(C(F)(F)F)c1 ZINC000160467254 508991771 /nfs/dbraw/zinc/99/17/71/508991771.db2.gz QYEPSXNZVWKCQT-GJZGRUSLSA-N 1 0 354.376 2.897 20 70 FFIDRO O=C(CCCOc1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160480487 508993289 /nfs/dbraw/zinc/99/32/89/508993289.db2.gz XNCDKYVCAUIOJX-UXHICEINSA-N 1 0 360.498 2.730 20 70 FFIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1csc(-c2ccco2)n1 ZINC000160517483 508998168 /nfs/dbraw/zinc/99/81/68/508998168.db2.gz KPQHSLXVBFGVFK-INIZCTEOSA-N 1 0 363.483 2.813 20 70 FFIDRO O=C(NCCOCc1ccc(Cl)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000160529756 508998808 /nfs/dbraw/zinc/99/88/08/508998808.db2.gz XCQJLLICZKUOMZ-KRWDZBQOSA-N 1 0 365.905 2.984 20 70 FFIDRO O=C(C[C@H](c1ccccc1)C(F)(F)F)NCC1CC[NH+](CCO)CC1 ZINC000160534934 508999635 /nfs/dbraw/zinc/99/96/35/508999635.db2.gz AQEWQYWCXGRGQY-MRXNPFEDSA-N 1 0 358.404 2.543 20 70 FFIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1cc(Br)cs1 ZINC000160556290 509003006 /nfs/dbraw/zinc/00/30/06/509003006.db2.gz GNBABZWUPJMMIL-ZOWXZIJZSA-N 1 0 373.316 2.659 20 70 FFIDRO C[C@@H](CCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[NH+]1CCCCC1 ZINC000160578504 509005163 /nfs/dbraw/zinc/00/51/63/509005163.db2.gz AMHWBHWHPVXMLA-HNNXBMFYSA-N 1 0 356.474 2.868 20 70 FFIDRO O=C(Cc1ccc(-c2ccccc2)cc1)NCC1CC[NH+](CCO)CC1 ZINC000160580608 509006203 /nfs/dbraw/zinc/00/62/03/509006203.db2.gz HYUXIGXNGYYCQR-UHFFFAOYSA-N 1 0 352.478 2.717 20 70 FFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000160613233 509009990 /nfs/dbraw/zinc/00/99/90/509009990.db2.gz UCVMRZYFRHHFIF-ZWKOTPCHSA-N 1 0 371.481 2.789 20 70 FFIDRO O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000160613604 509010279 /nfs/dbraw/zinc/01/02/79/509010279.db2.gz BMXBUZDGLMCRRG-SFHVURJKSA-N 1 0 359.518 2.565 20 70 FFIDRO O=C(Cc1ccc2c(c1)CCCC2)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160650788 509014435 /nfs/dbraw/zinc/01/44/35/509014435.db2.gz UQPCRXWKLHIXNA-VXKWHMMOSA-N 1 0 370.537 2.992 20 70 FFIDRO COc1ccc(Cl)cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160651184 509014631 /nfs/dbraw/zinc/01/46/31/509014631.db2.gz PVDIDUHPMZENNN-SJORKVTESA-N 1 0 366.889 2.846 20 70 FFIDRO O=C(CCSc1ccccc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160673777 509017593 /nfs/dbraw/zinc/01/75/93/509017593.db2.gz OBDJRSRBHVNAJA-AWEZNQCLSA-N 1 0 356.919 2.785 20 70 FFIDRO COc1cccc(N2CC[NH+](Cc3cn(C)nc3-c3ccncc3)CC2)c1 ZINC000160693867 509021045 /nfs/dbraw/zinc/02/10/45/509021045.db2.gz YTLBEWMBGLHBEB-UHFFFAOYSA-N 1 0 363.465 2.813 20 70 FFIDRO O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000160700371 509021981 /nfs/dbraw/zinc/02/19/81/509021981.db2.gz MYHKQEZYAJRTBB-XUVXKRRUSA-N 1 0 369.509 2.659 20 70 FFIDRO Cc1cccc(OCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1C ZINC000160711003 509023705 /nfs/dbraw/zinc/02/37/05/509023705.db2.gz RXDUPASUYDXWTP-VQTJNVASSA-N 1 0 374.525 2.956 20 70 FFIDRO Cc1nc(CCNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)sc1C ZINC000160733205 509026212 /nfs/dbraw/zinc/02/62/12/509026212.db2.gz QBAZICJHAPNTLH-QGZVFWFLSA-N 1 0 360.527 2.775 20 70 FFIDRO O=C(/C=C/SCc1ccco1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160736488 509026552 /nfs/dbraw/zinc/02/65/52/509026552.db2.gz PNZUSJMKIBMLJQ-UVJSDFOMSA-N 1 0 364.511 2.911 20 70 FFIDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccc2c(c1)NC(=O)CO2 ZINC000160750914 509028195 /nfs/dbraw/zinc/02/81/95/509028195.db2.gz DNNTZWMPWKFRAQ-CQSZACIVSA-N 1 0 374.485 2.594 20 70 FFIDRO CCNC(=O)N1CCc2ccc(NC(=O)[C@H]3[NH2+]CCc4ccccc43)cc21 ZINC000160775408 509031232 /nfs/dbraw/zinc/03/12/32/509031232.db2.gz QFHGCHAQBIYEOI-IBGZPJMESA-N 1 0 364.449 2.604 20 70 FFIDRO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCC[NH2+]CC3)c12 ZINC000160845720 509039582 /nfs/dbraw/zinc/03/95/82/509039582.db2.gz OQHLIKQJQRTRQT-UHFFFAOYSA-N 1 0 354.385 2.773 20 70 FFIDRO C[C@]1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCS1 ZINC000160861577 509040961 /nfs/dbraw/zinc/04/09/61/509040961.db2.gz MMAFMDYBKYCXRP-MRXNPFEDSA-N 1 0 357.589 2.933 20 70 FFIDRO C[C@H](C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)N(C)Cc1ccccc1 ZINC000160886152 509043797 /nfs/dbraw/zinc/04/37/97/509043797.db2.gz SFBHRDBNNAOSEI-IAGOWNOFSA-N 1 0 350.470 2.833 20 70 FFIDRO CC(C)NC(=O)CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000160917547 509048358 /nfs/dbraw/zinc/04/83/58/509048358.db2.gz AUBQXEIHGDYTQS-KRWDZBQOSA-N 1 0 366.550 2.587 20 70 FFIDRO C[C@@H](CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C[NH+]1CCCCC1 ZINC000161015521 509060306 /nfs/dbraw/zinc/06/03/06/509060306.db2.gz IUIVCDBAJFSCKW-HNNXBMFYSA-N 1 0 356.474 2.726 20 70 FFIDRO Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cnn1C1CCOCC1 ZINC000161018241 509060723 /nfs/dbraw/zinc/06/07/23/509060723.db2.gz MBORLYDZLVEHIF-FOIQADDNSA-N 1 0 362.518 2.783 20 70 FFIDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000161022766 509060906 /nfs/dbraw/zinc/06/09/06/509060906.db2.gz UQCBLOSQXVIBQN-GFCCVEGCSA-N 1 0 365.275 2.626 20 70 FFIDRO C[N@H+](CCCO)C1CCN(CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000161059647 509066159 /nfs/dbraw/zinc/06/61/59/509066159.db2.gz OIDJCGYAIJRDMD-UHFFFAOYSA-N 1 0 360.420 2.906 20 70 FFIDRO COc1ccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1N ZINC000161072051 509067202 /nfs/dbraw/zinc/06/72/02/509067202.db2.gz NOAIODVRXQIXJQ-UHFFFAOYSA-N 1 0 368.481 2.818 20 70 FFIDRO COc1cccc([C@@H](CNC(=O)c2ccnc(Cl)c2F)[NH+](C)C)c1 ZINC000161088038 509069824 /nfs/dbraw/zinc/06/98/24/509069824.db2.gz URFPHESLUVSGBU-CQSZACIVSA-N 1 0 351.809 2.915 20 70 FFIDRO CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)[NH+](C)C ZINC000161158034 509078134 /nfs/dbraw/zinc/07/81/34/509078134.db2.gz MLHXNWYXNBWVDY-QGZVFWFLSA-N 1 0 361.467 2.766 20 70 FFIDRO C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000161151875 509078554 /nfs/dbraw/zinc/07/85/54/509078554.db2.gz JYJLCFGJSJUWJC-CJNGLKHVSA-N 1 0 355.885 2.900 20 70 FFIDRO CCc1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cn1 ZINC000161172062 509080712 /nfs/dbraw/zinc/08/07/12/509080712.db2.gz PXVRPQDDJCXIDD-UHFFFAOYSA-N 1 0 363.412 2.913 20 70 FFIDRO C[C@H](Oc1cccc(CO)c1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000161186776 509082838 /nfs/dbraw/zinc/08/28/38/509082838.db2.gz QIKYHHQFDJEFKJ-SFHVURJKSA-N 1 0 368.477 2.681 20 70 FFIDRO CC1(C)CCCN(C(=O)C[C@]2(C(=O)N3CCCC(C)(C)C3)CC[NH2+]C2)C1 ZINC000161185258 509082886 /nfs/dbraw/zinc/08/28/86/509082886.db2.gz JNMZEFZBWNKPJJ-OAQYLSRUSA-N 1 0 363.546 2.653 20 70 FFIDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000161236357 509090997 /nfs/dbraw/zinc/09/09/97/509090997.db2.gz DPUXHVIRRSUBIU-HXUWFJFHSA-N 1 0 366.509 2.816 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000161245232 509091506 /nfs/dbraw/zinc/09/15/06/509091506.db2.gz ANCJXNPFVGIOTH-VQTJNVASSA-N 1 0 365.477 2.758 20 70 FFIDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ccc(C)nc3)CC2)cc1 ZINC000161283694 509096326 /nfs/dbraw/zinc/09/63/26/509096326.db2.gz MPPLGSDDBQKSGH-UHFFFAOYSA-N 1 0 359.495 2.641 20 70 FFIDRO Cc1ccc(N2CCC[C@H](NC(=O)C[C@H](C)C3CC[NH2+]CC3)C2=O)cc1 ZINC000161319755 509101145 /nfs/dbraw/zinc/10/11/45/509101145.db2.gz MJSLWUKPUDPLDG-LPHOPBHVSA-N 1 0 357.498 2.632 20 70 FFIDRO CCOC(=O)NCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000161347358 509105178 /nfs/dbraw/zinc/10/51/78/509105178.db2.gz XCJLEOKWHAYIRR-FUHWJXTLSA-N 1 0 361.486 2.540 20 70 FFIDRO CN(C(=O)COc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161370635 509107678 /nfs/dbraw/zinc/10/76/78/509107678.db2.gz DFBIYAJASLDMQT-PBWFPOADSA-N 1 0 353.260 2.569 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc(Br)cc1Cl ZINC000161373737 509108299 /nfs/dbraw/zinc/10/82/99/509108299.db2.gz OHDHGJOTGGOEIC-LLVKDONJSA-N 1 0 361.667 2.692 20 70 FFIDRO COc1ccc([C@H](CCO)[NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000161434720 509115540 /nfs/dbraw/zinc/11/55/40/509115540.db2.gz QRVLIGYCEPDPLK-IBGZPJMESA-N 1 0 362.514 2.993 20 70 FFIDRO CC[C@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000161441405 509115730 /nfs/dbraw/zinc/11/57/30/509115730.db2.gz CFRLDUKFLADJJO-SFHVURJKSA-N 1 0 359.445 2.971 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(-c3ncn(C)n3)c2)C1 ZINC000161453655 509117279 /nfs/dbraw/zinc/11/72/79/509117279.db2.gz UWWKZGFJBNAZFE-HNNXBMFYSA-N 1 0 356.474 2.582 20 70 FFIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)nc(N)c21 ZINC000161450868 509117434 /nfs/dbraw/zinc/11/74/34/509117434.db2.gz XKSZNNBGEJVFPV-BETUJISGSA-N 1 0 358.442 2.912 20 70 FFIDRO C[C@@H](Cc1ccccc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000159377641 508833093 /nfs/dbraw/zinc/83/30/93/508833093.db2.gz ONCYNIAYEVEXEX-DOTOQJQBSA-N 1 0 352.906 2.728 20 70 FFIDRO C[C@H](CNC(=O)c1cc(NC(=O)N(C)C)ccc1Cl)C[NH+]1CCCC1 ZINC000159379557 508834305 /nfs/dbraw/zinc/83/43/05/508834305.db2.gz ZFKGDRNWCASBFF-CYBMUJFWSA-N 1 0 366.893 2.895 20 70 FFIDRO CCCN(CC[NH+](C)C)C(=O)Cc1cc(OC)ccc1Br ZINC000159395066 508835730 /nfs/dbraw/zinc/83/57/30/508835730.db2.gz ODPZBHVRCVSTDJ-UHFFFAOYSA-N 1 0 357.292 2.800 20 70 FFIDRO COc1ccc(C)cc1NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000159411992 508838323 /nfs/dbraw/zinc/83/83/23/508838323.db2.gz WEESETCOEBPCLR-JWTNVVGKSA-N 1 0 372.513 2.778 20 70 FFIDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c2cccnc12 ZINC000159425668 508840754 /nfs/dbraw/zinc/84/07/54/508840754.db2.gz WIFQXKNEROZDBP-MRXNPFEDSA-N 1 0 368.481 2.576 20 70 FFIDRO Cc1nc(C)c(CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000159441566 508842521 /nfs/dbraw/zinc/84/25/21/508842521.db2.gz KQLCXEYDAOJBNK-MRXNPFEDSA-N 1 0 350.532 2.962 20 70 FFIDRO CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)s1 ZINC000159441074 508842577 /nfs/dbraw/zinc/84/25/77/508842577.db2.gz IBWZWOHNLUHFPO-CYBMUJFWSA-N 1 0 359.561 2.734 20 70 FFIDRO C[NH+]1CCC(CNC(=O)NCc2cccc(COCC(F)(F)F)c2)CC1 ZINC000159447412 508843006 /nfs/dbraw/zinc/84/30/06/508843006.db2.gz QCZNYZADIWWPRJ-UHFFFAOYSA-N 1 0 373.419 2.907 20 70 FFIDRO COc1cccc([C@H](CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)[NH+](C)C)c1 ZINC000159495525 508850184 /nfs/dbraw/zinc/85/01/84/508850184.db2.gz UBKIQMLCDSICTA-NEWSRXKRSA-N 1 0 361.486 2.555 20 70 FFIDRO O=C(Nc1cccc(-n2ccnn2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000159495774 508850323 /nfs/dbraw/zinc/85/03/23/508850323.db2.gz GUBWOQKCMMYNET-BEFAXECRSA-N 1 0 366.469 2.748 20 70 FFIDRO CCCC[N@H+](C)CC1CCN(C(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000159540417 508855260 /nfs/dbraw/zinc/85/52/60/508855260.db2.gz YMJLVKATRIDHLK-UHFFFAOYSA-N 1 0 372.556 2.736 20 70 FFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000159543222 508856565 /nfs/dbraw/zinc/85/65/65/508856565.db2.gz NHCLIZPPFSBGMU-TZMCWYRMSA-N 1 0 366.387 2.977 20 70 FFIDRO Cc1cc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)n(-c2ccc(C)cc2)n1 ZINC000159552255 508858079 /nfs/dbraw/zinc/85/80/79/508858079.db2.gz OTBWCZVHEMWRHX-AEFFLSMTSA-N 1 0 356.470 2.520 20 70 FFIDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159578953 508861522 /nfs/dbraw/zinc/86/15/22/508861522.db2.gz PABAPUDQCBJUNR-LNLFQRSKSA-N 1 0 370.497 2.909 20 70 FFIDRO C[C@@H](O)C1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000159612416 508865914 /nfs/dbraw/zinc/86/59/14/508865914.db2.gz SVDBQERSFUPJKF-ZNDGOPKYSA-N 1 0 371.525 2.984 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(F)ccc2Br)CC1 ZINC000159713759 508879154 /nfs/dbraw/zinc/87/91/54/508879154.db2.gz INLCPNXHSWUKPA-UHFFFAOYSA-N 1 0 358.255 2.825 20 70 FFIDRO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159849099 508899976 /nfs/dbraw/zinc/89/99/76/508899976.db2.gz LDZJOHHDTPTDMA-CVEARBPZSA-N 1 0 358.486 2.820 20 70 FFIDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000159908042 508910253 /nfs/dbraw/zinc/91/02/53/508910253.db2.gz WQMZHJWFUNIYSF-FQEVSTJZSA-N 1 0 369.465 2.737 20 70 FFIDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC(=O)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000159913599 508910704 /nfs/dbraw/zinc/91/07/04/508910704.db2.gz SBRATCOWGMSLSW-PZTGFMGMSA-N 1 0 372.509 2.917 20 70 FFIDRO CC[C@@H](COC)NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000159919663 508911825 /nfs/dbraw/zinc/91/18/25/508911825.db2.gz VHIQTINLAZUFRX-AEFFLSMTSA-N 1 0 363.502 2.611 20 70 FFIDRO CCN(C(=O)NCCCc1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159976002 508919896 /nfs/dbraw/zinc/91/98/96/508919896.db2.gz YGTCTOGNRZIFJH-HXUWFJFHSA-N 1 0 369.513 2.659 20 70 FFIDRO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159993529 508921635 /nfs/dbraw/zinc/92/16/35/508921635.db2.gz CLDAOHRDXDGNLY-IEBWSBKVSA-N 1 0 362.514 2.930 20 70 FFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NCC(F)(F)F ZINC000159989030 508921993 /nfs/dbraw/zinc/92/19/93/508921993.db2.gz ARUOKYDJFGFQRO-CQSZACIVSA-N 1 0 372.435 2.687 20 70 FFIDRO Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1 ZINC000160019718 508926597 /nfs/dbraw/zinc/92/65/97/508926597.db2.gz MANUXDMOGMSWAY-GASCZTMLSA-N 1 0 362.495 2.722 20 70 FFIDRO O=C(C[C@H]1CCC[NH2+]1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000160057879 508931667 /nfs/dbraw/zinc/93/16/67/508931667.db2.gz OWHFVTFFFBLBHP-LJQANCHMSA-N 1 0 369.509 2.558 20 70 FFIDRO O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160119302 508941329 /nfs/dbraw/zinc/94/13/29/508941329.db2.gz HPSHFWVCZJIQLQ-QGZVFWFLSA-N 1 0 374.510 2.511 20 70 FFIDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(N(C)C)cc2F)CC1 ZINC000160200936 508953648 /nfs/dbraw/zinc/95/36/48/508953648.db2.gz PUHOZPNJKBNRPO-UHFFFAOYSA-N 1 0 351.466 2.511 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(OC(F)F)c1 ZINC000160212097 508954867 /nfs/dbraw/zinc/95/48/67/508954867.db2.gz JXBPBIGSQYXKEW-IAGOWNOFSA-N 1 0 368.424 2.786 20 70 FFIDRO CCCCn1ncc(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000160212553 508955307 /nfs/dbraw/zinc/95/53/07/508955307.db2.gz VJHWTNFHTDUOMB-HUUCEWRRSA-N 1 0 351.495 2.612 20 70 FFIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000160293160 508965707 /nfs/dbraw/zinc/96/57/07/508965707.db2.gz MNTZIMMILVAYHS-RISCZKNCSA-N 1 0 354.907 2.994 20 70 FFIDRO COc1ccc([C@@H](C[NH2+]C(C2CC2)C2CC2)N2CCOCC2)cc1OC ZINC000160334923 508972731 /nfs/dbraw/zinc/97/27/31/508972731.db2.gz GTKIQQZSUSSBFB-GOSISDBHSA-N 1 0 360.498 2.855 20 70 FFIDRO O=C(C[C@@H]1OCCc2ccccc21)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160363703 508975938 /nfs/dbraw/zinc/97/59/38/508975938.db2.gz SFUNZUPFKIGLKJ-ACRUOGEOSA-N 1 0 372.509 2.575 20 70 FFIDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)Nc2cnn(CC(C)C)c2)c1 ZINC000160396148 508980803 /nfs/dbraw/zinc/98/08/03/508980803.db2.gz XBBFQFPCSZIOPX-UHFFFAOYSA-N 1 0 371.485 2.958 20 70 FFIDRO CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160437724 508986751 /nfs/dbraw/zinc/98/67/51/508986751.db2.gz SYDBUQXKLHTXHW-CALCHBBNSA-N 1 0 368.481 2.874 20 70 FFIDRO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160482304 508993056 /nfs/dbraw/zinc/99/30/56/508993056.db2.gz AUZQKMSKIIELOX-STXHMFSFSA-N 1 0 366.452 2.639 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000160562970 509003751 /nfs/dbraw/zinc/00/37/51/509003751.db2.gz WNRIQMFDZQTFBP-LLVKDONJSA-N 1 0 358.408 2.542 20 70 FFIDRO Cc1ccc(C(=O)CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160570695 509004082 /nfs/dbraw/zinc/00/40/82/509004082.db2.gz OJOKPUHIFFRWQF-TZIWHRDSSA-N 1 0 372.509 2.842 20 70 FFIDRO COc1cccc(CCC[NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000160576838 509004898 /nfs/dbraw/zinc/00/48/98/509004898.db2.gz JEOAFQQLWDTYOL-GOSISDBHSA-N 1 0 373.541 2.693 20 70 FFIDRO C[C@@]1(O)CCCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000160591933 509007936 /nfs/dbraw/zinc/00/79/36/509007936.db2.gz IQCOEAJEMBVVLJ-LJQANCHMSA-N 1 0 363.527 2.657 20 70 FFIDRO O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160608247 509009208 /nfs/dbraw/zinc/00/92/08/509009208.db2.gz FGDWLODELBZQBW-OKILXGFUSA-N 1 0 364.371 2.858 20 70 FFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000160619515 509010736 /nfs/dbraw/zinc/01/07/36/509010736.db2.gz UYESEAYDXSDFQM-IRXDYDNUSA-N 1 0 363.527 2.923 20 70 FFIDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOCc2cccc(OC)c2)[C@H](C)C1 ZINC000160627574 509012305 /nfs/dbraw/zinc/01/23/05/509012305.db2.gz OVAKBLLOCKOXCH-APWZRJJASA-N 1 0 363.502 2.584 20 70 FFIDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOCc2cccc(OC)c2)[C@H](C)C1 ZINC000160627718 509012345 /nfs/dbraw/zinc/01/23/45/509012345.db2.gz OVAKBLLOCKOXCH-VQIMIIECSA-N 1 0 363.502 2.584 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3)n2)C1 ZINC000160647158 509013931 /nfs/dbraw/zinc/01/39/31/509013931.db2.gz NXQAWSNGTVVMIH-HVHJFMEUSA-N 1 0 370.478 2.661 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1occc1Br ZINC000160656470 509015272 /nfs/dbraw/zinc/01/52/72/509015272.db2.gz BJFMOHHVEFOFMP-KBPBESRZSA-N 1 0 371.275 2.540 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2ccccc2n1 ZINC000160661041 509015911 /nfs/dbraw/zinc/01/59/11/509015911.db2.gz PTWWSFQFRCNVNW-UXHICEINSA-N 1 0 353.466 2.733 20 70 FFIDRO C[NH+]1CCC(NC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CC1 ZINC000160665251 509016754 /nfs/dbraw/zinc/01/67/54/509016754.db2.gz VNHJKWUNFKFYMM-UHFFFAOYSA-N 1 0 365.840 2.940 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2OCc2cn3cccc(C)c3n2)C1 ZINC000160688630 509020334 /nfs/dbraw/zinc/02/03/34/509020334.db2.gz LHWVBYMKAMPXAM-INIZCTEOSA-N 1 0 364.449 2.656 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)C1 ZINC000160686864 509020473 /nfs/dbraw/zinc/02/04/73/509020473.db2.gz OLYLWSUBTDHWEU-GOSISDBHSA-N 1 0 361.449 2.677 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000160700450 509021860 /nfs/dbraw/zinc/02/18/60/509021860.db2.gz IWZRVICXAHFCGL-ZDUSSCGKSA-N 1 0 372.469 2.730 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1 ZINC000160736879 509026396 /nfs/dbraw/zinc/02/63/96/509026396.db2.gz ZYRCKUOYGVOSDK-UHFFFAOYSA-N 1 0 365.477 2.801 20 70 FFIDRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000160739962 509026848 /nfs/dbraw/zinc/02/68/48/509026848.db2.gz DXMQBAJRPINLIS-INIZCTEOSA-N 1 0 351.288 2.939 20 70 FFIDRO CCOCCC1(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCCC1 ZINC000160749182 509028315 /nfs/dbraw/zinc/02/83/15/509028315.db2.gz DDRQUKACKMSWSD-PMACEKPBSA-N 1 0 374.525 2.725 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2)n1 ZINC000160757525 509028896 /nfs/dbraw/zinc/02/88/96/509028896.db2.gz RLCJSROJVJHVEQ-ALOPSCKCSA-N 1 0 354.458 2.619 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)o1 ZINC000160754496 509029206 /nfs/dbraw/zinc/02/92/06/509029206.db2.gz AKIFHEOMRXXRBM-OLZOCXBDSA-N 1 0 371.275 2.540 20 70 FFIDRO CCN(C(=O)N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160781736 509032722 /nfs/dbraw/zinc/03/27/22/509032722.db2.gz PDZITXPUKUILLD-RTBURBONSA-N 1 0 367.497 2.573 20 70 FFIDRO Cn1cc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(C(F)(F)F)n1 ZINC000160787796 509033539 /nfs/dbraw/zinc/03/35/39/509033539.db2.gz DNOKVRYZLQRWTP-CQSZACIVSA-N 1 0 373.423 2.599 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000160894909 509045169 /nfs/dbraw/zinc/04/51/69/509045169.db2.gz NCLIAVAPDKHSQA-KXBFYZLASA-N 1 0 362.495 2.759 20 70 FFIDRO C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1cn(-c2ccccc2)nn1 ZINC000160901163 509045887 /nfs/dbraw/zinc/04/58/87/509045887.db2.gz FCMPUOYFHXDEJC-MAUKXSAKSA-N 1 0 372.517 2.994 20 70 FFIDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000160912893 509047139 /nfs/dbraw/zinc/04/71/39/509047139.db2.gz HWWSGLYOWRXNHI-CHWSQXEVSA-N 1 0 372.556 2.638 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160925817 509049112 /nfs/dbraw/zinc/04/91/12/509049112.db2.gz UBJBZXIXCZXVSI-CYBMUJFWSA-N 1 0 361.412 2.935 20 70 FFIDRO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160928751 509049654 /nfs/dbraw/zinc/04/96/54/509049654.db2.gz NXDLUJNYBVKWJD-BEFAXECRSA-N 1 0 366.889 2.592 20 70 FFIDRO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160948731 509051629 /nfs/dbraw/zinc/05/16/29/509051629.db2.gz MTLGYLPBYZJXFS-INIZCTEOSA-N 1 0 367.493 2.951 20 70 FFIDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160972273 509055185 /nfs/dbraw/zinc/05/51/85/509055185.db2.gz OOPAJHDTKDWIQZ-CQSZACIVSA-N 1 0 365.433 2.807 20 70 FFIDRO CCc1ccc([C@@H](CC)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160987583 509057354 /nfs/dbraw/zinc/05/73/54/509057354.db2.gz UQQXGNTZDLMWKA-LJQANCHMSA-N 1 0 353.466 2.705 20 70 FFIDRO Cc1c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cnn1C1CCOCC1 ZINC000161017849 509060837 /nfs/dbraw/zinc/06/08/37/509060837.db2.gz MBORLYDZLVEHIF-YWZLYKJASA-N 1 0 362.518 2.783 20 70 FFIDRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@H]1CCOC1 ZINC000161032157 509062140 /nfs/dbraw/zinc/06/21/40/509062140.db2.gz IIMFVQGXYURQNE-ZFWWWQNUSA-N 1 0 369.303 2.812 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000161038001 509063041 /nfs/dbraw/zinc/06/30/41/509063041.db2.gz ZQPSHHWVKKUTEW-UHFFFAOYSA-N 1 0 352.482 2.823 20 70 FFIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000161092533 509070656 /nfs/dbraw/zinc/07/06/56/509070656.db2.gz OLTVGYZFDAHDTF-QAPCUYQASA-N 1 0 374.506 2.961 20 70 FFIDRO COc1cc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc(OC)c1O ZINC000161100065 509071331 /nfs/dbraw/zinc/07/13/31/509071331.db2.gz BYHBNGIORNRRIE-UHFFFAOYSA-N 1 0 358.438 2.661 20 70 FFIDRO CCOC[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000161165026 509080065 /nfs/dbraw/zinc/08/00/65/509080065.db2.gz KFFNPIBJSWRRIQ-DLBZAZTESA-N 1 0 360.502 2.675 20 70 FFIDRO COc1cccc([C@H](C[NH2+]C2CCC(NC(C)=O)CC2)N2CCCC2)c1 ZINC000161243365 509091765 /nfs/dbraw/zinc/09/17/65/509091765.db2.gz DIPNDXQMMHZHQH-GRERDSQWSA-N 1 0 359.514 2.869 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000161272436 509094724 /nfs/dbraw/zinc/09/47/24/509094724.db2.gz AYJBSYRICZELOM-UHFFFAOYSA-N 1 0 353.457 2.811 20 70 FFIDRO Cc1ccc(I)c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161275853 509095452 /nfs/dbraw/zinc/09/54/52/509095452.db2.gz LQFXWWYJOBGXMM-GHMZBOCLSA-N 1 0 358.223 2.599 20 70 FFIDRO Cc1ccc(I)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161275600 509095967 /nfs/dbraw/zinc/09/59/67/509095967.db2.gz LQFXWWYJOBGXMM-WDEREUQCSA-N 1 0 358.223 2.599 20 70 FFIDRO CN1CCc2nc(NC(=O)c3ccnc(OCC(F)(F)F)c3)sc2C1 ZINC000161283011 509096331 /nfs/dbraw/zinc/09/63/31/509096331.db2.gz BMNCHFFJTIWRSM-UHFFFAOYSA-N 1 0 372.372 2.719 20 70 FFIDRO C[C@]1(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)CCC[NH2+]C1 ZINC000161345698 509104685 /nfs/dbraw/zinc/10/46/85/509104685.db2.gz ASGMJLYCJNDIIL-IBGZPJMESA-N 1 0 373.478 2.816 20 70 FFIDRO Cc1ccc([C@@H](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)[NH+](C)C)cc1 ZINC000161379142 509109382 /nfs/dbraw/zinc/10/93/82/509109382.db2.gz ZBWLUCRDVZMHCU-HXUWFJFHSA-N 1 0 365.477 2.920 20 70 FFIDRO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161430230 509114995 /nfs/dbraw/zinc/11/49/95/509114995.db2.gz KJJZZQNIVBEPKJ-RDJZCZTQSA-N 1 0 361.404 2.678 20 70 FFIDRO C[C@H](CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000159368848 508831401 /nfs/dbraw/zinc/83/14/01/508831401.db2.gz VLSGYITYURPSNV-IIBYNOLFSA-N 1 0 370.468 2.855 20 70 FFIDRO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159533899 508854439 /nfs/dbraw/zinc/85/44/39/508854439.db2.gz QZBLWBUAUTULST-WFASDCNBSA-N 1 0 355.276 2.789 20 70 FFIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000159551264 508857061 /nfs/dbraw/zinc/85/70/61/508857061.db2.gz QEHYACCHNLXCBD-LPHOPBHVSA-N 1 0 363.477 2.593 20 70 FFIDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC(C)(C)c2ccccc2F)c1 ZINC000159578281 508861406 /nfs/dbraw/zinc/86/14/06/508861406.db2.gz KUCIWNPLADAPSS-UHFFFAOYSA-N 1 0 371.456 2.920 20 70 FFIDRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000159629790 508868775 /nfs/dbraw/zinc/86/87/75/508868775.db2.gz GNDHPMSWYPLNEI-CJNGLKHVSA-N 1 0 352.425 2.860 20 70 FFIDRO COc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OCc1cccnc1 ZINC000159643498 508870060 /nfs/dbraw/zinc/87/00/60/508870060.db2.gz NAYYFOIBYPHXFX-YJBOKZPZSA-N 1 0 369.465 2.755 20 70 FFIDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cnn(C)c1 ZINC000159742125 508883484 /nfs/dbraw/zinc/88/34/84/508883484.db2.gz DIYWEEMNJPQBOR-GOSISDBHSA-N 1 0 364.453 2.624 20 70 FFIDRO Cc1ccc(Br)c(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000159746424 508884223 /nfs/dbraw/zinc/88/42/23/508884223.db2.gz ISUJSPVGRPXUSQ-CQSZACIVSA-N 1 0 369.303 2.580 20 70 FFIDRO CCC[NH+]1CCC(NC(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)CC1 ZINC000159749457 508884893 /nfs/dbraw/zinc/88/48/93/508884893.db2.gz ZTJFBCMATUGPPN-UHFFFAOYSA-N 1 0 356.470 2.998 20 70 FFIDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000159763957 508887148 /nfs/dbraw/zinc/88/71/48/508887148.db2.gz MZCPCDORKXVYDG-KRWDZBQOSA-N 1 0 374.506 2.867 20 70 FFIDRO O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159791103 508890986 /nfs/dbraw/zinc/89/09/86/508890986.db2.gz DRJMKSKFDRAGOS-UHFFFAOYSA-N 1 0 364.873 2.644 20 70 FFIDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000159786226 508891295 /nfs/dbraw/zinc/89/12/95/508891295.db2.gz PFHSZLMPDSUORY-NHCUHLMSSA-N 1 0 368.477 2.795 20 70 FFIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000159830756 508898021 /nfs/dbraw/zinc/89/80/21/508898021.db2.gz ORDQOIMWDCDZIC-CHWSQXEVSA-N 1 0 370.844 2.994 20 70 FFIDRO CCN(C(=O)NCCc1nccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159845115 508899448 /nfs/dbraw/zinc/89/94/48/508899448.db2.gz RAAVUDFRBUAVJZ-QGZVFWFLSA-N 1 0 358.511 2.992 20 70 FFIDRO Cc1cc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)ccc1Br ZINC000159866747 508903119 /nfs/dbraw/zinc/90/31/19/508903119.db2.gz IJHGRDFHOWKFDB-DOMZBBRYSA-N 1 0 355.276 2.789 20 70 FFIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N1CCc2ccccc21 ZINC000159925819 508912763 /nfs/dbraw/zinc/91/27/63/508912763.db2.gz JHOBIPMLESBGQW-HOTGVXAUSA-N 1 0 361.449 2.896 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)CC1 ZINC000159929740 508913315 /nfs/dbraw/zinc/91/33/15/508913315.db2.gz BYLDAZNOLKAHNT-CQSZACIVSA-N 1 0 373.457 2.543 20 70 FFIDRO COc1cccc([C@H](O)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000159934852 508913527 /nfs/dbraw/zinc/91/35/27/508913527.db2.gz IYRYJQJTJMUIRA-NRFANRHFSA-N 1 0 368.477 2.818 20 70 FFIDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000160002462 508923527 /nfs/dbraw/zinc/92/35/27/508923527.db2.gz WFRAQJLZDVJQAC-HKUYNNGSSA-N 1 0 365.543 2.702 20 70 FFIDRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC(=O)C[C@H]3C)cc2)CC1 ZINC000160021017 508926588 /nfs/dbraw/zinc/92/65/88/508926588.db2.gz FQSGIFZQQJREJO-UZLBHIALSA-N 1 0 357.498 2.768 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C)nc1)c1ccsc1 ZINC000160032292 508928373 /nfs/dbraw/zinc/92/83/73/508928373.db2.gz DPZQRUWCLLRZMG-INIZCTEOSA-N 1 0 360.483 2.589 20 70 FFIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000160039812 508928915 /nfs/dbraw/zinc/92/89/15/508928915.db2.gz GFZOCVIIWVLUMW-ICFOKQHNSA-N 1 0 371.916 2.945 20 70 FFIDRO O=C(CCc1ccc(-c2ccccc2)o1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160057034 508931908 /nfs/dbraw/zinc/93/19/08/508931908.db2.gz QOOPVDQOAHQPNW-GOSISDBHSA-N 1 0 356.466 2.842 20 70 FFIDRO OCC1(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCCC1 ZINC000160065716 508933152 /nfs/dbraw/zinc/93/31/52/508933152.db2.gz KHNBOUOVJFUWSU-UHFFFAOYSA-N 1 0 356.260 2.863 20 70 FFIDRO [NH3+]CCCNC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000160112472 508939777 /nfs/dbraw/zinc/93/97/77/508939777.db2.gz JRBGIRLAJAOGGK-UHFFFAOYSA-N 1 0 360.302 2.642 20 70 FFIDRO COc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000160149465 508945921 /nfs/dbraw/zinc/94/59/21/508945921.db2.gz ZOXNQHWZGCCULU-AWEZNQCLSA-N 1 0 372.918 2.988 20 70 FFIDRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@](C)(O)C3)cc2)CC1 ZINC000160201625 508953369 /nfs/dbraw/zinc/95/33/69/508953369.db2.gz BMUIFTIJSIBFEU-NRFANRHFSA-N 1 0 359.514 2.975 20 70 FFIDRO CC(C)(C)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000160223523 508956783 /nfs/dbraw/zinc/95/67/83/508956783.db2.gz OGAXXPHACZSJJR-UHFFFAOYSA-N 1 0 359.514 2.955 20 70 FFIDRO O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160249110 508959741 /nfs/dbraw/zinc/95/97/41/508959741.db2.gz VKXLBZJPCIYPDK-OKILXGFUSA-N 1 0 364.371 2.858 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000160251383 508960924 /nfs/dbraw/zinc/96/09/24/508960924.db2.gz GRVGXWYRASUVPE-INIZCTEOSA-N 1 0 360.502 2.751 20 70 FFIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000160266517 508962777 /nfs/dbraw/zinc/96/27/77/508962777.db2.gz YXCLVRNBTUZEGL-DLBZAZTESA-N 1 0 366.452 2.885 20 70 FFIDRO Cc1ccc(C)c(OCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160271976 508963509 /nfs/dbraw/zinc/96/35/09/508963509.db2.gz DJOJDVLZLYIRKI-UXHICEINSA-N 1 0 374.525 2.956 20 70 FFIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160290115 508965441 /nfs/dbraw/zinc/96/54/41/508965441.db2.gz MMFCDCUZNYZKQP-JHJVBQTASA-N 1 0 361.412 2.933 20 70 FFIDRO Cc1cc(C)cc(OCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160349440 508974414 /nfs/dbraw/zinc/97/44/14/508974414.db2.gz WCOJYSVBRDAXML-RTWAWAEBSA-N 1 0 374.525 2.956 20 70 FFIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCN(CC(F)F)CC1 ZINC000160358233 508975283 /nfs/dbraw/zinc/97/52/83/508975283.db2.gz ONIWPTUWKFLBDS-MRXNPFEDSA-N 1 0 360.493 2.623 20 70 FFIDRO O=C(C[C@H]1OCCc2ccccc21)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160363317 508976061 /nfs/dbraw/zinc/97/60/61/508976061.db2.gz SFUNZUPFKIGLKJ-QHAWAJNXSA-N 1 0 372.509 2.575 20 70 FFIDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccccc1OC(F)(F)F ZINC000160372707 508977681 /nfs/dbraw/zinc/97/76/81/508977681.db2.gz BUWUTFYIUPGNMS-CYBMUJFWSA-N 1 0 373.419 2.788 20 70 FFIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000160370044 508977852 /nfs/dbraw/zinc/97/78/52/508977852.db2.gz BQBIAMHJEPDIMZ-IRXDYDNUSA-N 1 0 370.522 2.623 20 70 FFIDRO COc1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1OC(F)F ZINC000160379788 508978621 /nfs/dbraw/zinc/97/86/21/508978621.db2.gz RZHJOKSESVSAKF-MFKMUULPSA-N 1 0 352.385 2.862 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2c2cnn(C)c2)C[N@@H+]1Cc1ccccc1 ZINC000160398889 508981038 /nfs/dbraw/zinc/98/10/38/508981038.db2.gz IJDGHURVQSBCRR-NSISKUIASA-N 1 0 367.497 2.930 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](C2CCCCC2)N(C)C)cc1 ZINC000160419401 508984368 /nfs/dbraw/zinc/98/43/68/508984368.db2.gz KCKHLAUTHBYSIC-HNAYVOBHSA-N 1 0 367.559 2.756 20 70 FFIDRO Cc1c(C(=O)NCc2ccccc2OCC[NH+](C)C)cnn1CC(C)C ZINC000160423686 508984992 /nfs/dbraw/zinc/98/49/92/508984992.db2.gz OOAQWQKUVIFBLL-UHFFFAOYSA-N 1 0 358.486 2.718 20 70 FFIDRO CC[NH+](CC)CCN(CCOC)c1ccc2nnc(-c3ccccc3)n2n1 ZINC000160429016 508985810 /nfs/dbraw/zinc/98/58/10/508985810.db2.gz WSMXJZPCSRPCNM-UHFFFAOYSA-N 1 0 368.485 2.586 20 70 FFIDRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160436215 508986616 /nfs/dbraw/zinc/98/66/16/508986616.db2.gz BAFWBRLPNNSWBX-DOTOQJQBSA-N 1 0 351.516 2.779 20 70 FFIDRO CC[NH+]1CCN(CCCNC(=O)CCc2c[nH]c3c2cccc3C)CC1 ZINC000160441124 508987925 /nfs/dbraw/zinc/98/79/25/508987925.db2.gz ZYKWAVTZSUHASV-UHFFFAOYSA-N 1 0 356.514 2.553 20 70 FFIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2cnc3cc(F)c(F)cc3n2)C[C@@H](C)O1 ZINC000160465337 508990690 /nfs/dbraw/zinc/99/06/90/508990690.db2.gz NQGVNTLMVZYHMZ-MCIONIFRSA-N 1 0 362.424 2.986 20 70 FFIDRO Cn1c2cc(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)ccc2[nH]c1=O ZINC000160492607 508994546 /nfs/dbraw/zinc/99/45/46/508994546.db2.gz VMPNWOLYKVCRMM-UHFFFAOYSA-N 1 0 370.497 2.595 20 70 FFIDRO CCC(=O)Nc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160494073 508994785 /nfs/dbraw/zinc/99/47/85/508994785.db2.gz JKKNWCOBRDJKIX-MOPGFXCFSA-N 1 0 373.497 2.533 20 70 FFIDRO CCOc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1C ZINC000160517796 508997920 /nfs/dbraw/zinc/99/79/20/508997920.db2.gz DIUXXSYWLHDYCL-RTBURBONSA-N 1 0 360.498 2.891 20 70 FFIDRO Cc1sc2ncnc(SCC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2c1C ZINC000160557374 509002613 /nfs/dbraw/zinc/00/26/13/509002613.db2.gz LMHPBCJMOXGVAW-BETUJISGSA-N 1 0 362.524 2.753 20 70 FFIDRO CSc1cc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)ccc1F ZINC000160590284 509006958 /nfs/dbraw/zinc/00/69/58/509006958.db2.gz TWVCIXDSSFEAPG-UHFFFAOYSA-N 1 0 353.507 2.551 20 70 FFIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000160591196 509007883 /nfs/dbraw/zinc/00/78/83/509007883.db2.gz XOTHXNNYNGMASL-GJZGRUSLSA-N 1 0 369.531 2.632 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000160647505 509014057 /nfs/dbraw/zinc/01/40/57/509014057.db2.gz CTIXNBRDCLALPZ-OAHLLOKOSA-N 1 0 350.422 2.875 20 70 FFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000160699311 509021927 /nfs/dbraw/zinc/02/19/27/509021927.db2.gz LBHKDBBFPUTGGI-KRWDZBQOSA-N 1 0 367.497 2.936 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(N(C)C)nc2)CC1 ZINC000160732905 509026102 /nfs/dbraw/zinc/02/61/02/509026102.db2.gz LKDXMZCLCLRUKJ-OAHLLOKOSA-N 1 0 368.485 2.890 20 70 FFIDRO CCC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)c1 ZINC000160749215 509027928 /nfs/dbraw/zinc/02/79/28/509027928.db2.gz GECNQLRCUBACGJ-WMZOPIPTSA-N 1 0 371.481 2.551 20 70 FFIDRO Cc1cc(C[C@@H](C)NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[nH]n1 ZINC000160752164 509028915 /nfs/dbraw/zinc/02/89/15/509028915.db2.gz KDFCTERDZLHJID-MRXNPFEDSA-N 1 0 361.534 2.947 20 70 FFIDRO C[C@@H]1CCC[C@](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)([NH+](C)C)C1 ZINC000160779435 509031920 /nfs/dbraw/zinc/03/19/20/509031920.db2.gz AQAUADGKHBDJGY-VFNWGFHPSA-N 1 0 357.498 2.819 20 70 FFIDRO Cn1cc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(C(F)(F)F)n1 ZINC000160787923 509033254 /nfs/dbraw/zinc/03/32/54/509033254.db2.gz DNOKVRYZLQRWTP-AWEZNQCLSA-N 1 0 373.423 2.599 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000160809000 509035322 /nfs/dbraw/zinc/03/53/22/509035322.db2.gz HHXMEEJZXSWPSS-BEFAXECRSA-N 1 0 362.495 2.759 20 70 FFIDRO O=C(NCC1(Cc2ccccc2)CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000160815415 509036471 /nfs/dbraw/zinc/03/64/71/509036471.db2.gz HQEPZGJCVZILKV-UHFFFAOYSA-N 1 0 357.498 2.516 20 70 FFIDRO CC[C@H](O)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000160827374 509037208 /nfs/dbraw/zinc/03/72/08/509037208.db2.gz NFTXNFFTZDOHCT-KRWDZBQOSA-N 1 0 353.894 2.765 20 70 FFIDRO CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000160840635 509039173 /nfs/dbraw/zinc/03/91/73/509039173.db2.gz IAEYHLHIOBFRST-HNNXBMFYSA-N 1 0 359.518 2.628 20 70 FFIDRO COc1cc(N(C)C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000160855212 509040857 /nfs/dbraw/zinc/04/08/57/509040857.db2.gz HPSUYZARAOBEJJ-ZIAGYGMSSA-N 1 0 350.459 2.701 20 70 FFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000160911357 509047268 /nfs/dbraw/zinc/04/72/68/509047268.db2.gz GOXBXOIQOSKYHQ-GOSISDBHSA-N 1 0 361.534 2.820 20 70 FFIDRO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160948624 509051862 /nfs/dbraw/zinc/05/18/62/509051862.db2.gz MTLGYLPBYZJXFS-MRXNPFEDSA-N 1 0 367.493 2.951 20 70 FFIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)N3CCC[C@@H](C)C3)CC2)CC1 ZINC000160952415 509052402 /nfs/dbraw/zinc/05/24/02/509052402.db2.gz WFTXNXWXYGSUOC-WWDZGPRUSA-N 1 0 357.564 2.596 20 70 FFIDRO CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160967833 509055006 /nfs/dbraw/zinc/05/50/06/509055006.db2.gz LKUNXGREHWKRBL-ZWKOTPCHSA-N 1 0 366.550 2.587 20 70 FFIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)cc1 ZINC000161003729 509058534 /nfs/dbraw/zinc/05/85/34/509058534.db2.gz AYIMOLULQCKDAZ-CQSZACIVSA-N 1 0 359.445 2.867 20 70 FFIDRO Cc1sc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1CS(C)(=O)=O ZINC000161033140 509062238 /nfs/dbraw/zinc/06/22/38/509062238.db2.gz ZYTOXUVOBBWWGG-UHFFFAOYSA-N 1 0 372.556 2.640 20 70 FFIDRO COCCC1(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000161069908 509067476 /nfs/dbraw/zinc/06/74/76/509067476.db2.gz GHADIGOUHGLVHT-UHFFFAOYSA-N 1 0 360.498 2.840 20 70 FFIDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1CCn2ccnc2C1 ZINC000161079392 509069062 /nfs/dbraw/zinc/06/90/62/509069062.db2.gz GIUNRBYZXHHWRA-KRWDZBQOSA-N 1 0 370.522 2.941 20 70 FFIDRO CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)[NH+](C)C ZINC000161157930 509078384 /nfs/dbraw/zinc/07/83/84/509078384.db2.gz MLHXNWYXNBWVDY-KRWDZBQOSA-N 1 0 361.467 2.766 20 70 FFIDRO CC(C)C[C@H](CO)NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000161167764 509079791 /nfs/dbraw/zinc/07/97/91/509079791.db2.gz AHSPBAQIBYGBSJ-AEFFLSMTSA-N 1 0 372.431 2.964 20 70 FFIDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NCc1ccccc1 ZINC000161193412 509083250 /nfs/dbraw/zinc/08/32/50/509083250.db2.gz BWGUAPFOIZMTEZ-HZPDHXFCSA-N 1 0 367.449 2.999 20 70 FFIDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc2)cc1 ZINC000161206031 509085968 /nfs/dbraw/zinc/08/59/68/509085968.db2.gz HSZIWHOSTDUGBS-UYAOXDASSA-N 1 0 351.450 2.885 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)N1CCCN(CC(F)F)CC1)c1ccco1 ZINC000161212923 509086370 /nfs/dbraw/zinc/08/63/70/509086370.db2.gz SZQQASSYMCNRMB-OAHLLOKOSA-N 1 0 372.460 2.645 20 70 FFIDRO CC(=O)N1CC[C@H](CN(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000161216832 509087271 /nfs/dbraw/zinc/08/72/71/509087271.db2.gz GBOVPWNMWZZOHX-FUHWJXTLSA-N 1 0 374.529 2.626 20 70 FFIDRO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000161312708 509100486 /nfs/dbraw/zinc/10/04/86/509100486.db2.gz PBEOJGCSDGDLBJ-STQMWFEESA-N 1 0 367.287 2.726 20 70 FFIDRO C[C@H](Oc1cccc(CO)c1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000161359762 509106637 /nfs/dbraw/zinc/10/66/37/509106637.db2.gz OIOBWSPGKZMYPA-LAUBAEHRSA-N 1 0 368.477 2.900 20 70 FFIDRO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1-n1cccn1 ZINC000161375704 509108339 /nfs/dbraw/zinc/10/83/39/509108339.db2.gz HMEHORCKLGJMIX-HNNXBMFYSA-N 1 0 367.457 2.513 20 70 FFIDRO C[C@@H](CNC(=O)CCc1cc2ccccc2[nH]c1=O)C[NH+]1CCCCC1 ZINC000161387339 509109883 /nfs/dbraw/zinc/10/98/83/509109883.db2.gz XYFYCKLACJBCPS-INIZCTEOSA-N 1 0 355.482 2.699 20 70 FFIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000161427697 509115110 /nfs/dbraw/zinc/11/51/10/509115110.db2.gz NJUHXGLLZUPFCK-QGZVFWFLSA-N 1 0 356.474 2.868 20 70 FFIDRO CCc1noc(-c2ccc(CC[NH2+]C3CCC(NC(C)=O)CC3)cc2)n1 ZINC000161471582 509119841 /nfs/dbraw/zinc/11/98/41/509119841.db2.gz JYGKSCMCYFGVCM-UHFFFAOYSA-N 1 0 356.470 2.878 20 70 FFIDRO CC(C)NC(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000161495667 509121890 /nfs/dbraw/zinc/12/18/90/509121890.db2.gz UJHDNLHRIFIPMN-FQEVSTJZSA-N 1 0 367.493 2.728 20 70 FFIDRO O=C1[C@H](N2CCC([C@@H](O)C(F)(F)F)CC2)CCN1c1ccccc1F ZINC000161510428 509123368 /nfs/dbraw/zinc/12/33/68/509123368.db2.gz KDKFWMQDKQIUAQ-HUUCEWRRSA-N 1 0 360.351 2.566 20 70 FFIDRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000217511322 509270030 /nfs/dbraw/zinc/27/00/30/509270030.db2.gz JDJPLAUGWNPIPA-SJLPKXTDSA-N 1 0 374.506 2.976 20 70 FFIDRO Brc1cc2c(cc1CN[C@H]1CC[N@@H+]3CCCC[C@@H]13)OCO2 ZINC000217698476 509271527 /nfs/dbraw/zinc/27/15/27/509271527.db2.gz YJZNONPMDNVLHH-KBPBESRZSA-N 1 0 353.260 2.894 20 70 FFIDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(F)c(SC)c2)CC1 ZINC000159364842 508831423 /nfs/dbraw/zinc/83/14/23/508831423.db2.gz IMJCCKHOKRYNMG-AWEZNQCLSA-N 1 0 353.507 2.551 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000159369526 508831474 /nfs/dbraw/zinc/83/14/74/508831474.db2.gz QFNPZIZLXYTQGD-NUJGCVRESA-N 1 0 367.559 2.850 20 70 FFIDRO CCN(CCc1nccs1)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000159448806 508843528 /nfs/dbraw/zinc/84/35/28/508843528.db2.gz WJDFJQCWINPSIW-UHFFFAOYSA-N 1 0 368.547 2.607 20 70 FFIDRO CC[C@H](C)NC(=O)CCNC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159450964 508843758 /nfs/dbraw/zinc/84/37/58/508843758.db2.gz XHRZJIGEFTXPHX-PKOBYXMFSA-N 1 0 374.529 2.597 20 70 FFIDRO O=C(c1cccc(OCC(F)(F)F)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000159514553 508852346 /nfs/dbraw/zinc/85/23/46/508852346.db2.gz WQBRNXLVRPPDCE-UHFFFAOYSA-N 1 0 357.376 2.723 20 70 FFIDRO Cc1c([C@@H](C)[NH2+]CCCN2CCCC2=O)nnn1-c1ccc(Cl)cc1 ZINC000159533972 508854974 /nfs/dbraw/zinc/85/49/74/508854974.db2.gz RVGUXNBHXNVLOL-CYBMUJFWSA-N 1 0 361.877 2.892 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)CN1CCc2c(F)cccc2C1)c1ccccc1 ZINC000159556854 508857806 /nfs/dbraw/zinc/85/78/06/508857806.db2.gz PKNFXRWFONJRQC-FQEVSTJZSA-N 1 0 355.457 2.603 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000159552844 508857812 /nfs/dbraw/zinc/85/78/12/508857812.db2.gz TXWKJVLBTVXCSJ-UHFFFAOYSA-N 1 0 355.486 2.726 20 70 FFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000159555973 508858268 /nfs/dbraw/zinc/85/82/68/508858268.db2.gz FNKYWKPOLRMPDP-AWEZNQCLSA-N 1 0 354.445 2.525 20 70 FFIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 ZINC000159577937 508861118 /nfs/dbraw/zinc/86/11/18/508861118.db2.gz RXRCPJVOBPBBQT-HNNXBMFYSA-N 1 0 357.376 2.878 20 70 FFIDRO [NH3+]C1(CNC(=O)Cn2c3ccccc3nc2C(F)(F)F)CCCCC1 ZINC000159592943 508863006 /nfs/dbraw/zinc/86/30/06/508863006.db2.gz ATVDHSHMSQQNFW-UHFFFAOYSA-N 1 0 354.376 2.833 20 70 FFIDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CC1 ZINC000159629705 508868840 /nfs/dbraw/zinc/86/88/40/508868840.db2.gz GCIVGRBQOKIFQU-LBPRGKRZSA-N 1 0 355.276 2.817 20 70 FFIDRO CCC(CC)n1nccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000159647636 508870990 /nfs/dbraw/zinc/87/09/90/508870990.db2.gz QYIRYRCHJPISKD-HKUYNNGSSA-N 1 0 362.518 2.742 20 70 FFIDRO Cn1nccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159761138 508886281 /nfs/dbraw/zinc/88/62/81/508886281.db2.gz SCEBLSCWOFELKY-AZUAARDMSA-N 1 0 367.497 2.616 20 70 FFIDRO CCc1nc(-c2ccc(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)cc2)n[nH]1 ZINC000159765882 508887117 /nfs/dbraw/zinc/88/71/17/508887117.db2.gz RNSSQWDGILTSJU-IRXDYDNUSA-N 1 0 353.470 2.590 20 70 FFIDRO O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159762705 508887205 /nfs/dbraw/zinc/88/72/05/508887205.db2.gz JWRCMLGMBNLQRR-SFHVURJKSA-N 1 0 369.431 2.870 20 70 FFIDRO C[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C[C@H]1CCC[C@@H]1O ZINC000159769128 508887670 /nfs/dbraw/zinc/88/76/70/508887670.db2.gz POOPCOPYZXOJNQ-APWZRJJASA-N 1 0 362.489 2.847 20 70 FFIDRO CC(C)c1n[nH]c(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1Br ZINC000159827335 508897006 /nfs/dbraw/zinc/89/70/06/508897006.db2.gz IXWPSYLYJDYDQL-UHFFFAOYSA-N 1 0 369.307 2.900 20 70 FFIDRO Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cn1 ZINC000159861657 508902446 /nfs/dbraw/zinc/90/24/46/508902446.db2.gz ZKNGBBUCVOQGMO-UHFFFAOYSA-N 1 0 353.466 2.524 20 70 FFIDRO O=C(CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccccc1 ZINC000159888032 508906402 /nfs/dbraw/zinc/90/64/02/508906402.db2.gz MPOGCCFGJQPDIL-GOSISDBHSA-N 1 0 358.486 2.675 20 70 FFIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCc1ccccc1F ZINC000159906170 508909208 /nfs/dbraw/zinc/90/92/08/508909208.db2.gz RQEUSLJCNZOXRI-HUUCEWRRSA-N 1 0 367.428 2.762 20 70 FFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000159913951 508910967 /nfs/dbraw/zinc/91/09/67/508910967.db2.gz WYJNDYHYFIKFBS-KXBFYZLASA-N 1 0 372.490 2.936 20 70 FFIDRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000159987661 508920472 /nfs/dbraw/zinc/92/04/72/508920472.db2.gz JZAOSQMYRUNYRC-GOSISDBHSA-N 1 0 366.509 2.994 20 70 FFIDRO COc1cc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)ccc1S(C)(=O)=O ZINC000159993641 508921424 /nfs/dbraw/zinc/92/14/24/508921424.db2.gz YBNFKCHPPAHSJA-SJCJKPOMSA-N 1 0 369.508 2.719 20 70 FFIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000160059579 508932268 /nfs/dbraw/zinc/93/22/68/508932268.db2.gz VMYZAGLYFKYSRC-OWCLPIDISA-N 1 0 374.529 2.937 20 70 FFIDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C)cn2)C(C)C)cc1 ZINC000160078542 508935226 /nfs/dbraw/zinc/93/52/26/508935226.db2.gz HJDNVXXSWWZCKB-FQEVSTJZSA-N 1 0 371.481 2.999 20 70 FFIDRO CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160111913 508939895 /nfs/dbraw/zinc/93/98/95/508939895.db2.gz XUFHJRLANOVHRN-KRWDZBQOSA-N 1 0 352.906 2.872 20 70 FFIDRO CN(C)[C@@H](CNC(=O)NCc1ccc(O)c(F)c1)c1c(F)cccc1F ZINC000160122454 508941358 /nfs/dbraw/zinc/94/13/58/508941358.db2.gz WIPJEOXDXFELOC-HNNXBMFYSA-N 1 0 367.371 2.912 20 70 FFIDRO O=S(=O)(c1ccc(F)c(F)c1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160126786 508941975 /nfs/dbraw/zinc/94/19/75/508941975.db2.gz USXDMJYCUADUQI-LBPRGKRZSA-N 1 0 362.417 2.743 20 70 FFIDRO COc1ccc(CCC(=O)N2CCC[N@H+](CCOCC3CC3)CC2)cc1 ZINC000160130823 508943154 /nfs/dbraw/zinc/94/31/54/508943154.db2.gz CRQNZNDNROHIQW-UHFFFAOYSA-N 1 0 360.498 2.589 20 70 FFIDRO CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000160134928 508943875 /nfs/dbraw/zinc/94/38/75/508943875.db2.gz MUHSZCYAVQKECE-QRWLVFNGSA-N 1 0 365.518 2.624 20 70 FFIDRO O=C(Cc1ccc(OCc2ccccn2)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160138555 508944315 /nfs/dbraw/zinc/94/43/15/508944315.db2.gz HZWNUXFRXOQRHL-GOSISDBHSA-N 1 0 365.477 2.804 20 70 FFIDRO CCc1ccc([C@@H](C)CC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000160150601 508945829 /nfs/dbraw/zinc/94/58/29/508945829.db2.gz VERBXUNTWSEBKS-KRWDZBQOSA-N 1 0 373.541 2.659 20 70 FFIDRO C[NH+]1CCC(Oc2ccc(NCc3ccc([S@](C)=O)cc3)cn2)CC1 ZINC000160174182 508950004 /nfs/dbraw/zinc/95/00/04/508950004.db2.gz SEOAAOYIBMOCNT-RUZDIDTESA-N 1 0 359.495 2.904 20 70 FFIDRO C[C@H](CSc1ccc(F)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160183748 508950583 /nfs/dbraw/zinc/95/05/83/508950583.db2.gz SHMAHDVHWBZLJK-GDBMZVCRSA-N 1 0 354.491 2.517 20 70 FFIDRO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000160244788 508959000 /nfs/dbraw/zinc/95/90/00/508959000.db2.gz VZGJZBRBPCROAU-YLJYHZDGSA-N 1 0 371.525 2.588 20 70 FFIDRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160244993 508960063 /nfs/dbraw/zinc/96/00/63/508960063.db2.gz ZSPMJHXXCCZNNN-MSOLQXFVSA-N 1 0 362.514 2.849 20 70 FFIDRO Cc1sc2ncnc(SCCC(=O)N3CCC[C@@H]3C[NH3+])c2c1C ZINC000160254626 508960877 /nfs/dbraw/zinc/96/08/77/508960877.db2.gz AKYLAAXQTAKDHR-GFCCVEGCSA-N 1 0 350.513 2.740 20 70 FFIDRO O=C(Cc1cccc2cccnc21)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160259918 508961671 /nfs/dbraw/zinc/96/16/71/508961671.db2.gz MNYFJQJHKWPWTQ-UXHICEINSA-N 1 0 367.493 2.661 20 70 FFIDRO Cc1cccc2[nH]c(CNC(=O)CC3([NH+]4CCOCC4)CCCC3)nc21 ZINC000160292381 508965676 /nfs/dbraw/zinc/96/56/76/508965676.db2.gz JDCQHGDYVYWSSR-UHFFFAOYSA-N 1 0 356.470 2.523 20 70 FFIDRO O=C(CCCOc1cccc(Br)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160369405 508977050 /nfs/dbraw/zinc/97/70/50/508977050.db2.gz ODZAZFDBRMOJOV-GASCZTMLSA-N 1 0 367.287 2.961 20 70 FFIDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160373914 508977777 /nfs/dbraw/zinc/97/77/77/508977777.db2.gz DWUVGQHVYNRHDX-CQSZACIVSA-N 1 0 369.391 2.740 20 70 FFIDRO Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(Br)n1 ZINC000160382106 508978900 /nfs/dbraw/zinc/97/89/00/508978900.db2.gz RITCTBNYJMOPGX-GXTWGEPZSA-N 1 0 352.276 2.709 20 70 FFIDRO O=C(CCC(=O)NC1CCCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000160387365 508979673 /nfs/dbraw/zinc/97/96/73/508979673.db2.gz FZUFHKZQKSCVGM-MRXNPFEDSA-N 1 0 363.527 2.840 20 70 FFIDRO CSc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1F ZINC000160386556 508979725 /nfs/dbraw/zinc/97/97/25/508979725.db2.gz QODQYBAGZXIWHX-CYBMUJFWSA-N 1 0 353.507 2.751 20 70 FFIDRO Cn1cc(C[C@@H]2CC[N@@H+]([C@@H]3CCCN(c4ccccc4F)C3=O)C2)cn1 ZINC000160392472 508980132 /nfs/dbraw/zinc/98/01/32/508980132.db2.gz PORAVZLVESAXIH-HNAYVOBHSA-N 1 0 356.445 2.619 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](C2CCCCC2)N(C)C)cc1 ZINC000160419141 508984518 /nfs/dbraw/zinc/98/45/18/508984518.db2.gz KCKHLAUTHBYSIC-KXBFYZLASA-N 1 0 367.559 2.756 20 70 FFIDRO Cc1nc2n(n1)C[C@@H]([NH2+]C1CCN(Cc3ccc(Cl)cc3)CC1)CC2 ZINC000160457005 508990064 /nfs/dbraw/zinc/99/00/64/508990064.db2.gz YZVFSTOSBXSRRF-SFHVURJKSA-N 1 0 359.905 2.809 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1OC1CCCCC1 ZINC000160504496 508996508 /nfs/dbraw/zinc/99/65/08/508996508.db2.gz TVAVZPJIRHUTID-KRWDZBQOSA-N 1 0 360.498 2.975 20 70 FFIDRO CC(C)Cc1nc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000160513501 508997383 /nfs/dbraw/zinc/99/73/83/508997383.db2.gz MPEBKCKSUKIRPC-SJORKVTESA-N 1 0 365.543 2.839 20 70 FFIDRO C[C@H](Sc1ccccc1Cl)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160584129 509006061 /nfs/dbraw/zinc/00/60/61/509006061.db2.gz YUFPOXXVUPXDLM-ZDUSSCGKSA-N 1 0 356.919 2.641 20 70 FFIDRO C[NH+]1CCC(C(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000160588838 509006716 /nfs/dbraw/zinc/00/67/16/509006716.db2.gz NDEREAGTAUFURM-OAQYLSRUSA-N 1 0 368.477 2.757 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(Cl)c1F ZINC000160597375 509008545 /nfs/dbraw/zinc/00/85/45/509008545.db2.gz UZJKIUWKXLXYGM-JKSUJKDBSA-N 1 0 354.853 2.977 20 70 FFIDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C)nc1 ZINC000160650139 509014783 /nfs/dbraw/zinc/01/47/83/509014783.db2.gz BMWILLWCCKQXFB-UHFFFAOYSA-N 1 0 374.510 2.761 20 70 FFIDRO CN(C(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1)c1ccccc1 ZINC000160656689 509015389 /nfs/dbraw/zinc/01/53/89/509015389.db2.gz ZTEAYHIQWJCONB-INIZCTEOSA-N 1 0 351.450 2.645 20 70 FFIDRO CCCOc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160672593 509017426 /nfs/dbraw/zinc/01/74/26/509017426.db2.gz DAAZGNLXCYYRFV-WOJBJXKFSA-N 1 0 360.498 2.973 20 70 FFIDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC000160671263 509017613 /nfs/dbraw/zinc/01/76/13/509017613.db2.gz CKNSDWYCAJATOR-IRXDYDNUSA-N 1 0 369.509 2.945 20 70 FFIDRO O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000160700498 509022271 /nfs/dbraw/zinc/02/22/71/509022271.db2.gz MYHKQEZYAJRTBB-HSALFYBXSA-N 1 0 369.509 2.659 20 70 FFIDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1C ZINC000160768722 509030221 /nfs/dbraw/zinc/03/02/21/509030221.db2.gz KSWVWKLVCAQFGI-UXHICEINSA-N 1 0 360.498 2.566 20 70 FFIDRO CCc1c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[nH]c(C)c1C(N)=O ZINC000160831697 509037697 /nfs/dbraw/zinc/03/76/97/509037697.db2.gz VEWZZDILASFZFO-QGZVFWFLSA-N 1 0 368.481 2.551 20 70 FFIDRO Cn1cc(CNC(=O)NCCC[NH2+]C2CCCCC2)c(C(F)(F)F)n1 ZINC000160835099 509038606 /nfs/dbraw/zinc/03/86/06/509038606.db2.gz XBSPDFQXYCIHRP-UHFFFAOYSA-N 1 0 361.412 2.551 20 70 FFIDRO Cc1conc1NC(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000160896041 509044899 /nfs/dbraw/zinc/04/48/99/509044899.db2.gz ZAJLWXIRFTUZFU-UHFFFAOYSA-N 1 0 370.453 2.614 20 70 FFIDRO Cn1cc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(C(F)(F)F)n1 ZINC000160899539 509044945 /nfs/dbraw/zinc/04/49/45/509044945.db2.gz VHIRZTUMNXZSEN-AWEZNQCLSA-N 1 0 373.423 2.599 20 70 FFIDRO COCC[N@H+](C)CCCNC(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000160904948 509046733 /nfs/dbraw/zinc/04/67/33/509046733.db2.gz BKHJZEQKNBQUCT-UHFFFAOYSA-N 1 0 373.501 2.887 20 70 FFIDRO CC[C@H](CC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000160913997 509047354 /nfs/dbraw/zinc/04/73/54/509047354.db2.gz ZUQIYJDCWNDBBD-QGZVFWFLSA-N 1 0 361.530 2.721 20 70 FFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1 ZINC000160934110 509050378 /nfs/dbraw/zinc/05/03/78/509050378.db2.gz POQWHKWHZUIFBB-UHFFFAOYSA-N 1 0 374.407 2.653 20 70 FFIDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1cnn(C)c1 ZINC000160941306 509051229 /nfs/dbraw/zinc/05/12/29/509051229.db2.gz AYRMVWBJDMVQTP-JYJNAYRXSA-N 1 0 356.470 2.520 20 70 FFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2cnn(C)c2)CC1 ZINC000160964821 509054336 /nfs/dbraw/zinc/05/43/36/509054336.db2.gz NPGKEDDTEULZBG-IBGZPJMESA-N 1 0 361.534 2.820 20 70 FFIDRO CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160967539 509054749 /nfs/dbraw/zinc/05/47/49/509054749.db2.gz LKUNXGREHWKRBL-MSOLQXFVSA-N 1 0 366.550 2.587 20 70 FFIDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160972382 509054966 /nfs/dbraw/zinc/05/49/66/509054966.db2.gz OOPAJHDTKDWIQZ-AWEZNQCLSA-N 1 0 365.433 2.807 20 70 FFIDRO Cc1ccc(C(=O)N2CCC([NH2+]C3CCN(CC(F)F)CC3)CC2)cc1 ZINC000160995785 509057716 /nfs/dbraw/zinc/05/77/16/509057716.db2.gz AKUDBEHEJWXXCH-UHFFFAOYSA-N 1 0 365.468 2.919 20 70 FFIDRO COC[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)C1CC1 ZINC000161043207 509063902 /nfs/dbraw/zinc/06/39/02/509063902.db2.gz CSNWPGPNUQBANJ-MRXNPFEDSA-N 1 0 369.303 2.812 20 70 FFIDRO CCc1nc(CN2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cs1 ZINC000161053469 509065370 /nfs/dbraw/zinc/06/53/70/509065370.db2.gz GSVIRCWTNGRJFS-UHFFFAOYSA-N 1 0 372.538 2.725 20 70 FFIDRO C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000161087390 509069381 /nfs/dbraw/zinc/06/93/81/509069381.db2.gz SBEAVPSOXWBTSI-LIRRHRJNSA-N 1 0 360.429 2.504 20 70 FFIDRO COc1cccc([C@H](CNC(=O)c2ccnc(Cl)c2F)[NH+](C)C)c1 ZINC000161087911 509069531 /nfs/dbraw/zinc/06/95/31/509069531.db2.gz URFPHESLUVSGBU-AWEZNQCLSA-N 1 0 351.809 2.915 20 70 FFIDRO COc1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc(OC)c1O ZINC000161086087 509069631 /nfs/dbraw/zinc/06/96/31/509069631.db2.gz AISFEXAJPWKPMU-HNNXBMFYSA-N 1 0 362.401 2.581 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)c2cn(C)nc2-c2ccccc2OC)CC1 ZINC000161092391 509070557 /nfs/dbraw/zinc/07/05/57/509070557.db2.gz RMSXNWNIMCNHDU-UHFFFAOYSA-N 1 0 356.470 2.557 20 70 FFIDRO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc(OC)c1O ZINC000161090732 509070592 /nfs/dbraw/zinc/07/05/92/509070592.db2.gz JELPCDOUPSLQSM-QGZVFWFLSA-N 1 0 370.449 2.976 20 70 FFIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161129468 509075027 /nfs/dbraw/zinc/07/50/27/509075027.db2.gz IMFMQZROQGKZCC-NSHDSACASA-N 1 0 352.232 2.595 20 70 FFIDRO O=C(NCc1ccccc1CO)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000161139637 509076080 /nfs/dbraw/zinc/07/60/80/509076080.db2.gz PXYRXIIFPOUXSP-SFHVURJKSA-N 1 0 357.454 2.798 20 70 FFIDRO C[C@@H](CC(=O)N(C)C)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000161151777 509077413 /nfs/dbraw/zinc/07/74/13/509077413.db2.gz JYJLCFGJSJUWJC-BBRMVZONSA-N 1 0 355.885 2.900 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCC(=O)CCC(=O)c1ccc(C)s1 ZINC000161164442 509080078 /nfs/dbraw/zinc/08/00/78/509080078.db2.gz ZBMNOEYSIPDMPS-AWEZNQCLSA-N 1 0 350.484 2.579 20 70 FFIDRO O[C@@H](C1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1)C(F)(F)F ZINC000161205453 509086016 /nfs/dbraw/zinc/08/60/16/509086016.db2.gz AHUPSAMFMCAJDH-INIZCTEOSA-N 1 0 361.360 2.819 20 70 FFIDRO C[C@@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)C[NH+]1CCCCC1 ZINC000161210128 509086817 /nfs/dbraw/zinc/08/68/17/509086817.db2.gz XMCHYJAURUTEEH-HNNXBMFYSA-N 1 0 361.461 2.804 20 70 FFIDRO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccnc1Cl ZINC000161231641 509089587 /nfs/dbraw/zinc/08/95/87/509089587.db2.gz VLAWDACNIASBDN-CQSZACIVSA-N 1 0 360.889 2.877 20 70 FFIDRO CC(C)(C)[C@@H](CCO)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000161274247 509095261 /nfs/dbraw/zinc/09/52/61/509095261.db2.gz NOALLIMVKRKBJC-GOEBONIOSA-N 1 0 353.532 2.981 20 70 FFIDRO CC[N@H+](Cc1ccc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1)C(C)C ZINC000161275931 509095650 /nfs/dbraw/zinc/09/56/50/509095650.db2.gz JJEFDDRUGNDYRM-UHFFFAOYSA-N 1 0 359.514 3.000 20 70 FFIDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000161296589 509098201 /nfs/dbraw/zinc/09/82/01/509098201.db2.gz YNVPMSWSJSFRCT-LRDDRELGSA-N 1 0 363.845 2.784 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C[C@@H]2CCOC2)C2CC2)CC1 ZINC000161308245 509099672 /nfs/dbraw/zinc/09/96/72/509099672.db2.gz BWGVORIMVZOLHM-IRXDYDNUSA-N 1 0 372.513 2.818 20 70 FFIDRO CC(C)CCn1ccc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000161347127 509104967 /nfs/dbraw/zinc/10/49/67/509104967.db2.gz PSALOYLBLFAZNI-MRXNPFEDSA-N 1 0 363.506 2.552 20 70 FFIDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)C1 ZINC000161390480 509110852 /nfs/dbraw/zinc/11/08/52/509110852.db2.gz LYCPBIVAURGZAW-OAHLLOKOSA-N 1 0 371.481 2.801 20 70 FFIDRO O=C1[C@H](N2CCC([C@@H](O)C(F)(F)F)CC2)CCCN1c1ccccc1F ZINC000161397450 509111666 /nfs/dbraw/zinc/11/16/66/509111666.db2.gz WEPYKHNHFJPAQA-HZPDHXFCSA-N 1 0 374.378 2.956 20 70 FFIDRO Cc1ccc(OC[C@@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(C)c1 ZINC000161428600 509115047 /nfs/dbraw/zinc/11/50/47/509115047.db2.gz WDJOMCVCYYHAFY-DOTOQJQBSA-N 1 0 361.404 2.678 20 70 FFIDRO CN1CCN(CC(=O)NCc2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000216731946 509263832 /nfs/dbraw/zinc/26/38/32/509263832.db2.gz XWAPXTKDHYBJFH-LJQANCHMSA-N 1 0 357.885 2.945 20 70 FFIDRO O=C(NCCCOc1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000217299699 509268536 /nfs/dbraw/zinc/26/85/36/509268536.db2.gz IIRMKGSIQNSZFY-UHFFFAOYSA-N 1 0 353.466 2.983 20 70 FFIDRO COc1ccc(O)c(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000218527619 509277921 /nfs/dbraw/zinc/27/79/21/509277921.db2.gz JUKURXTWALSMTQ-SFHVURJKSA-N 1 0 370.449 2.976 20 70 FFIDRO CC(C)c1ccc(N2CC[C@H](C(=O)NC3CC[NH+](C4CC4)CC3)C2=O)cc1 ZINC000159374137 508832235 /nfs/dbraw/zinc/83/22/35/508832235.db2.gz RCNGYCQYXGXIBV-HXUWFJFHSA-N 1 0 369.509 2.906 20 70 FFIDRO O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159410196 508838149 /nfs/dbraw/zinc/83/81/49/508838149.db2.gz AVYNBVNDFLGTIZ-HDICACEKSA-N 1 0 373.460 2.901 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)CSc1cccc(Br)c1)C1CC1 ZINC000159463018 508845172 /nfs/dbraw/zinc/84/51/72/508845172.db2.gz MAOPUIAWMRHJFD-AWEZNQCLSA-N 1 0 357.317 2.998 20 70 FFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000159491030 508849335 /nfs/dbraw/zinc/84/93/35/508849335.db2.gz ARWOUBWQVLFQRA-OAHLLOKOSA-N 1 0 359.474 2.703 20 70 FFIDRO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159529411 508853594 /nfs/dbraw/zinc/85/35/94/508853594.db2.gz OMRJHOVFHCOLCB-SUNKGSAMSA-N 1 0 351.447 2.855 20 70 FFIDRO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C[C@@H]1CCC[C@@H]1O ZINC000159550991 508857507 /nfs/dbraw/zinc/85/75/07/508857507.db2.gz LCWSHMGYCVWDHO-UWJYYQICSA-N 1 0 367.493 2.876 20 70 FFIDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)NC(C)C)cc1 ZINC000159552626 508857817 /nfs/dbraw/zinc/85/78/17/508857817.db2.gz XHQYXSMKKYVAOZ-IBGZPJMESA-N 1 0 374.529 2.727 20 70 FFIDRO [NH3+]C1(CNC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CCCCC1 ZINC000159576695 508861482 /nfs/dbraw/zinc/86/14/82/508861482.db2.gz UHMHFCACYDEEOS-UHFFFAOYSA-N 1 0 364.511 2.794 20 70 FFIDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc(OC)c1O ZINC000159635069 508869589 /nfs/dbraw/zinc/86/95/89/508869589.db2.gz RNLXXJFNPIWCET-UHFFFAOYSA-N 1 0 372.465 2.922 20 70 FFIDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@@]2(C)CCOC2)CC1 ZINC000159665440 508873426 /nfs/dbraw/zinc/87/34/26/508873426.db2.gz KUYZZVNEDITCSJ-SFHVURJKSA-N 1 0 366.893 2.782 20 70 FFIDRO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159687284 508875746 /nfs/dbraw/zinc/87/57/46/508875746.db2.gz JVHWLDPEGRCAAX-QGZVFWFLSA-N 1 0 365.543 2.931 20 70 FFIDRO [NH3+]C1(CNC(=O)CN(Cc2cccnc2)c2ccccc2)CCCCC1 ZINC000159725056 508880654 /nfs/dbraw/zinc/88/06/54/508880654.db2.gz HBSFFJKMPMFMEE-UHFFFAOYSA-N 1 0 352.482 2.866 20 70 FFIDRO O=C(CCCn1cccc1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000159761251 508886487 /nfs/dbraw/zinc/88/64/87/508886487.db2.gz LKJKQLLEHACUQB-UHFFFAOYSA-N 1 0 355.482 2.541 20 70 FFIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000159770046 508888067 /nfs/dbraw/zinc/88/80/67/508888067.db2.gz DPSGTIUNFJGGIS-CQSZACIVSA-N 1 0 362.455 2.545 20 70 FFIDRO CCc1nn(C)c(Cl)c1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000159771707 508888627 /nfs/dbraw/zinc/88/86/27/508888627.db2.gz APNJCQBCGXYGMC-ZDUSSCGKSA-N 1 0 360.889 2.813 20 70 FFIDRO Cc1ccc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cn1 ZINC000159772994 508888640 /nfs/dbraw/zinc/88/86/40/508888640.db2.gz SSOYSSXTABHZDQ-UHFFFAOYSA-N 1 0 358.486 2.634 20 70 FFIDRO C[C@@H](CCNC(=O)c1cccc2[nH]c(=O)oc21)[N@H+](C)Cc1ccccc1 ZINC000159818604 508895529 /nfs/dbraw/zinc/89/55/29/508895529.db2.gz NDGQCBQNRMNUQH-AWEZNQCLSA-N 1 0 353.422 2.762 20 70 FFIDRO CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159820901 508896077 /nfs/dbraw/zinc/89/60/77/508896077.db2.gz ZBPCIVGIZYPIGB-QGZVFWFLSA-N 1 0 372.509 2.966 20 70 FFIDRO O=C(CSCCN1CCOCC1)NCC1(c2ccccc2)CCCC1 ZINC000159826284 508896956 /nfs/dbraw/zinc/89/69/56/508896956.db2.gz NOJSAVVPIAAKKK-UHFFFAOYSA-N 1 0 362.539 2.680 20 70 FFIDRO CC[NH+](CC)C[C@@H]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000159832637 508897884 /nfs/dbraw/zinc/89/78/84/508897884.db2.gz WXRVSRXHUHURBN-BBRMVZONSA-N 1 0 368.319 2.639 20 70 FFIDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCc2nnc(-c3ccccc3)o2)C1 ZINC000159843450 508899206 /nfs/dbraw/zinc/89/92/06/508899206.db2.gz LAQVJRXGRIJUMQ-MRXNPFEDSA-N 1 0 371.485 2.652 20 70 FFIDRO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159857596 508901752 /nfs/dbraw/zinc/90/17/52/508901752.db2.gz BIOVPTYSYSUYIN-OAHLLOKOSA-N 1 0 369.465 2.983 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(N[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000159902274 508908958 /nfs/dbraw/zinc/90/89/58/508908958.db2.gz LGDHZRUTWIGGNH-LIRRHRJNSA-N 1 0 356.445 2.562 20 70 FFIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N1CCc2ccccc21 ZINC000159926213 508912350 /nfs/dbraw/zinc/91/23/50/508912350.db2.gz JHOBIPMLESBGQW-HZPDHXFCSA-N 1 0 361.449 2.896 20 70 FFIDRO C[C@@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1cc2ccccc2o1 ZINC000159947666 508915887 /nfs/dbraw/zinc/91/58/87/508915887.db2.gz UYFDLYSCGRIOKY-QGZVFWFLSA-N 1 0 357.498 2.880 20 70 FFIDRO CC[C@H](CNC(=O)CNC(=O)CC1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000159972367 508919114 /nfs/dbraw/zinc/91/91/14/508919114.db2.gz KTVFMISHPDMLOU-HXUWFJFHSA-N 1 0 371.525 2.636 20 70 FFIDRO CC[C@H](C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)[NH+](C)C ZINC000159984849 508920993 /nfs/dbraw/zinc/92/09/93/508920993.db2.gz PGJRQIUKGSVAEJ-GDBMZVCRSA-N 1 0 360.433 2.922 20 70 FFIDRO Cc1nc(-c2cccs2)sc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160001942 508923789 /nfs/dbraw/zinc/92/37/89/508923789.db2.gz WDEMCSQPBJVPDT-CYBMUJFWSA-N 1 0 365.524 2.757 20 70 FFIDRO Cc1nc(-c2cccs2)sc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160001813 508923824 /nfs/dbraw/zinc/92/38/24/508923824.db2.gz WDEMCSQPBJVPDT-ZDUSSCGKSA-N 1 0 365.524 2.757 20 70 FFIDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000160075662 508935258 /nfs/dbraw/zinc/93/52/58/508935258.db2.gz MMOFEPIURTVODC-OAHLLOKOSA-N 1 0 353.422 2.610 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(-c2cccc(Cl)c2)on1 ZINC000160120012 508941167 /nfs/dbraw/zinc/94/11/67/508941167.db2.gz WRUGOSUFFOVCCX-HNNXBMFYSA-N 1 0 363.845 2.572 20 70 FFIDRO Cc1ccc(SCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000160125930 508942243 /nfs/dbraw/zinc/94/22/43/508942243.db2.gz ZSZKZCPQMFQIDM-QGZVFWFLSA-N 1 0 350.528 2.749 20 70 FFIDRO O=S(=O)(c1c(F)cc(F)cc1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160129619 508942844 /nfs/dbraw/zinc/94/28/44/508942844.db2.gz ZHUKZDSJHFKOQK-CYBMUJFWSA-N 1 0 362.417 2.743 20 70 FFIDRO C[C@@]1(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)CC[NH2+]C1 ZINC000160156908 508946695 /nfs/dbraw/zinc/94/66/95/508946695.db2.gz IGFFQDDARPZEPN-LJQANCHMSA-N 1 0 374.462 2.821 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1F ZINC000160155660 508946922 /nfs/dbraw/zinc/94/69/22/508946922.db2.gz KYURZPVADDIWPG-IRXDYDNUSA-N 1 0 354.853 2.977 20 70 FFIDRO O=C(c1csc(-c2ccc3c(c2)OCCO3)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160155689 508946962 /nfs/dbraw/zinc/94/69/62/508946962.db2.gz ULYDLPGDJYGXNQ-OKILXGFUSA-N 1 0 371.462 2.548 20 70 FFIDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nc[nH]n2)c1 ZINC000160168437 508949041 /nfs/dbraw/zinc/94/90/41/508949041.db2.gz CXYXZECREPHWSP-IBGZPJMESA-N 1 0 361.449 2.866 20 70 FFIDRO CCNC(=O)c1cccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000160198982 508952906 /nfs/dbraw/zinc/95/29/06/508952906.db2.gz IMMGBTREHZWNPR-LAUBAEHRSA-N 1 0 366.509 2.832 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(N(C)C)n1)c1ccco1 ZINC000160215142 508955128 /nfs/dbraw/zinc/95/51/28/508955128.db2.gz RDHKFIOSKMNYHP-MRXNPFEDSA-N 1 0 359.474 2.623 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(-c2cccc(Cl)c2)no1 ZINC000160239336 508958465 /nfs/dbraw/zinc/95/84/65/508958465.db2.gz XGKJACCSFBOLTA-HNNXBMFYSA-N 1 0 363.845 2.572 20 70 FFIDRO CC1CC[NH+](CCNC(=O)N(C)Cc2cc(Br)cn2C)CC1 ZINC000160272402 508963406 /nfs/dbraw/zinc/96/34/06/508963406.db2.gz QGNRFJXSLZNEAO-UHFFFAOYSA-N 1 0 371.323 2.661 20 70 FFIDRO Cc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1NC(=O)c1ccccc1F ZINC000160283044 508964561 /nfs/dbraw/zinc/96/45/61/508964561.db2.gz ZULKLLLTXWRBOO-HNNXBMFYSA-N 1 0 355.413 2.950 20 70 FFIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCNC(=O)C2CCCCC2)C1 ZINC000160286767 508964734 /nfs/dbraw/zinc/96/47/34/508964734.db2.gz CMXRLVATBKXOAV-QZTJIDSGSA-N 1 0 365.562 2.947 20 70 FFIDRO Cc1ccc2nc(C3CC3)cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)c2c1 ZINC000160318519 508969957 /nfs/dbraw/zinc/96/99/57/508969957.db2.gz GSUZWUAGJVSEAO-QGZVFWFLSA-N 1 0 367.493 2.997 20 70 FFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC3CC3)cc1)CC2 ZINC000160341343 508973510 /nfs/dbraw/zinc/97/35/10/508973510.db2.gz ACLGOKLRQRKBTE-YVEFUNNKSA-N 1 0 354.458 2.536 20 70 FFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000160376768 508978336 /nfs/dbraw/zinc/97/83/36/508978336.db2.gz FYXZHFVXCNOVLA-VIFPVBQESA-N 1 0 364.614 2.508 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1nc(Cl)ccc1Cl ZINC000160423945 508985459 /nfs/dbraw/zinc/98/54/59/508985459.db2.gz VRFNCRDAMOSVPN-ZIAGYGMSSA-N 1 0 372.296 2.886 20 70 FFIDRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160435865 508986909 /nfs/dbraw/zinc/98/69/09/508986909.db2.gz BAFWBRLPNNSWBX-WBVHZDCISA-N 1 0 351.516 2.779 20 70 FFIDRO CCN(C)C(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160484514 508992985 /nfs/dbraw/zinc/99/29/85/508992985.db2.gz QIMLPBDDVFAMKE-XYPWUTKMSA-N 1 0 353.507 2.717 20 70 FFIDRO Cc1cc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(-c2ccncc2)n1 ZINC000160484423 508993050 /nfs/dbraw/zinc/99/30/50/508993050.db2.gz DDMUANSQGLENTF-ZIFCJYIRSA-N 1 0 367.497 2.925 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(Cl)ccc1F ZINC000160480187 508993281 /nfs/dbraw/zinc/99/32/81/508993281.db2.gz AONDBGUEEIEBER-IAGOWNOFSA-N 1 0 354.853 2.977 20 70 FFIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ncnc3cc(F)c(F)cc32)C[C@H](C)O1 ZINC000160506632 508996587 /nfs/dbraw/zinc/99/65/87/508996587.db2.gz ZCUNADCUNJCGTJ-MJBXVCDLSA-N 1 0 362.424 2.986 20 70 FFIDRO CC(C)(C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000160514941 508997361 /nfs/dbraw/zinc/99/73/61/508997361.db2.gz VAGMHOAWNFJOKW-DLBZAZTESA-N 1 0 358.507 2.777 20 70 FFIDRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160521675 508997782 /nfs/dbraw/zinc/99/77/82/508997782.db2.gz URNXQCNEAOCLNO-WMZOPIPTSA-N 1 0 362.514 2.714 20 70 FFIDRO O=C(Nc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000160536989 509000202 /nfs/dbraw/zinc/00/02/02/509000202.db2.gz MVIIWCGUMHRQRZ-GASCZTMLSA-N 1 0 355.463 2.967 20 70 FFIDRO Cc1ccccc1SCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160593343 509007536 /nfs/dbraw/zinc/00/75/36/509007536.db2.gz RCIUZZRPLRTMMJ-MSOLQXFVSA-N 1 0 362.539 2.971 20 70 FFIDRO CCCNC(=O)c1cccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000160642063 509013147 /nfs/dbraw/zinc/01/31/47/509013147.db2.gz PPFOCLCMNXUCMP-UHFFFAOYSA-N 1 0 366.509 2.976 20 70 FFIDRO Cc1ccc(C)c(OCCCCC(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160668910 509017364 /nfs/dbraw/zinc/01/73/64/509017364.db2.gz URGZMQBSQRKKFQ-UHFFFAOYSA-N 1 0 362.514 2.673 20 70 FFIDRO CC1CC[NH+](CCCCNS(=O)(=O)Cc2c(F)cccc2F)CC1 ZINC000160686274 509020086 /nfs/dbraw/zinc/02/00/86/509020086.db2.gz FSFPFTNRXXNGCX-UHFFFAOYSA-N 1 0 360.470 2.896 20 70 FFIDRO O=C(/C=C/c1ccc2c(c1)CCO2)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160751611 509029271 /nfs/dbraw/zinc/02/92/71/509029271.db2.gz OMESKTTWZNWTJA-IKGYGIMUSA-N 1 0 370.493 2.519 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)c1cccs1 ZINC000160770195 509030326 /nfs/dbraw/zinc/03/03/26/509030326.db2.gz JJRSGHCKEQQDFI-JTQLQIEISA-N 1 0 361.393 2.931 20 70 FFIDRO CC(C)c1noc(CCC[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)n1 ZINC000160794344 509034275 /nfs/dbraw/zinc/03/42/75/509034275.db2.gz GRJUQRYBQOSUTL-CYBMUJFWSA-N 1 0 366.487 2.848 20 70 FFIDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(NC(N)=O)cc1 ZINC000160895663 509044818 /nfs/dbraw/zinc/04/48/18/509044818.db2.gz XLLVATZFPQRNJN-BBRMVZONSA-N 1 0 359.474 2.554 20 70 FFIDRO O=C(NC[C@H](O)c1ccsc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000160900895 509045636 /nfs/dbraw/zinc/04/56/36/509045636.db2.gz ANPJHHIYWKZZTR-HOTGVXAUSA-N 1 0 363.483 2.901 20 70 FFIDRO C[C@@H](C(=O)NCc1cccc(NC(=O)N(C)C)c1)[C@H]([NH3+])c1ccccc1 ZINC000160956758 509053142 /nfs/dbraw/zinc/05/31/42/509053142.db2.gz MKKJYAOLLMXREK-KDOFPFPSSA-N 1 0 354.454 2.732 20 70 FFIDRO CC(C)[C@H](CCc1ccccc1)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000161016920 509059979 /nfs/dbraw/zinc/05/99/79/509059979.db2.gz UYFPKULAEDPPHS-FQEVSTJZSA-N 1 0 367.493 2.649 20 70 FFIDRO CCC1(CC)[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H]1OC ZINC000161041457 509063760 /nfs/dbraw/zinc/06/37/60/509063760.db2.gz GPSLSWQEHNBJFF-RTBURBONSA-N 1 0 374.529 2.939 20 70 FFIDRO COC1(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)CC[NH2+]CC1 ZINC000161075842 509068216 /nfs/dbraw/zinc/06/82/16/509068216.db2.gz GIGSQDMOYOSTMB-FQEVSTJZSA-N 1 0 352.478 2.898 20 70 FFIDRO CCc1ccc([C@H](CNC(=O)[C@H](C)Oc2cccc(CO)c2)[NH+](C)C)cc1 ZINC000161089947 509069861 /nfs/dbraw/zinc/06/98/61/509069861.db2.gz JBGOFRISGZCQDZ-KKSFZXQISA-N 1 0 370.493 2.928 20 70 FFIDRO O=C(C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)Nc1ccc(Cl)cc1 ZINC000161100719 509070963 /nfs/dbraw/zinc/07/09/63/509070963.db2.gz ZERCMWJGONUXBG-UHFFFAOYSA-N 1 0 361.829 2.766 20 70 FFIDRO CCc1ccc([C@@H](CNC(=O)NCc2ccccc2CO)[NH+](C)C)cc1 ZINC000161114762 509073316 /nfs/dbraw/zinc/07/33/16/509073316.db2.gz YRQSGFJCUVRUKA-HXUWFJFHSA-N 1 0 355.482 2.843 20 70 FFIDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2C)CC1 ZINC000161128364 509074880 /nfs/dbraw/zinc/07/48/80/509074880.db2.gz QKKAUCGHMLHSPL-UHFFFAOYSA-N 1 0 357.376 2.553 20 70 FFIDRO COC[C@H]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000161222914 509087939 /nfs/dbraw/zinc/08/79/39/509087939.db2.gz DNLOKGXYQIJHMP-SJORKVTESA-N 1 0 360.502 2.675 20 70 FFIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000161228698 509088705 /nfs/dbraw/zinc/08/87/05/509088705.db2.gz NNPCMQSDYUWOQV-ACBHZAAOSA-N 1 0 365.562 2.944 20 70 FFIDRO CCN(CCOc1ccc(Br)cc1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161227468 509089221 /nfs/dbraw/zinc/08/92/21/509089221.db2.gz RPMGDCQIRXSVTE-AWEZNQCLSA-N 1 0 355.276 2.819 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCSc1ccc2c(c1)OCCCO2 ZINC000161260970 509092975 /nfs/dbraw/zinc/09/29/75/509092975.db2.gz NSBZFCMKGIQGOV-AWEZNQCLSA-N 1 0 350.484 2.541 20 70 FFIDRO CC(C)(C)CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000161338936 509103396 /nfs/dbraw/zinc/10/33/96/509103396.db2.gz ULGDCWWHEUKARW-OAHLLOKOSA-N 1 0 357.498 2.677 20 70 FFIDRO COCCN(CC(C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161336577 509103572 /nfs/dbraw/zinc/10/35/72/509103572.db2.gz GUWDHUSCLLCXRA-QGZVFWFLSA-N 1 0 362.518 2.921 20 70 FFIDRO CSCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000161369149 509107956 /nfs/dbraw/zinc/10/79/56/509107956.db2.gz BOWUCYIGDXWSEF-ROUUACIJSA-N 1 0 370.607 2.718 20 70 FFIDRO Cc1cc(C[C@H](C)NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)[nH]n1 ZINC000161418439 509113649 /nfs/dbraw/zinc/11/36/49/509113649.db2.gz ZHILGWSXXMXNRA-AWEZNQCLSA-N 1 0 358.511 2.628 20 70 FFIDRO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccco2)C1 ZINC000161430624 509114784 /nfs/dbraw/zinc/11/47/84/509114784.db2.gz CUVHJRVQUXFHAT-WMZOPIPTSA-N 1 0 361.413 2.891 20 70 FFIDRO Cc1noc(Cl)c1CC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000161463632 509118966 /nfs/dbraw/zinc/11/89/66/509118966.db2.gz MGBCJZURDWGWTN-UHFFFAOYSA-N 1 0 364.833 2.708 20 70 FFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2csc(S(C)(=O)=O)c2)c1 ZINC000161477323 509119854 /nfs/dbraw/zinc/11/98/54/509119854.db2.gz NZQGNQUKTKOWBX-UHFFFAOYSA-N 1 0 366.508 2.533 20 70 FFIDRO Cc1noc(Cl)c1CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000161502255 509122646 /nfs/dbraw/zinc/12/26/46/509122646.db2.gz BQHDUSGZIBVYDW-UHFFFAOYSA-N 1 0 353.825 2.908 20 70 FFIDRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)CC1 ZINC000159378463 508833349 /nfs/dbraw/zinc/83/33/49/508833349.db2.gz BMEJTCGAONTKBD-MOPGFXCFSA-N 1 0 362.514 2.752 20 70 FFIDRO CCOCCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000159381985 508834068 /nfs/dbraw/zinc/83/40/68/508834068.db2.gz WIMGGXDZUATWCB-UHFFFAOYSA-N 1 0 370.291 2.921 20 70 FFIDRO C[C@@H](c1ccc(F)c(Cl)c1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159390821 508835212 /nfs/dbraw/zinc/83/52/12/508835212.db2.gz KCUQBVJJOXPDIV-YVEFUNNKSA-N 1 0 353.869 2.954 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000159480593 508847722 /nfs/dbraw/zinc/84/77/22/508847722.db2.gz XUUIQDAIVNQCLJ-NEWSRXKRSA-N 1 0 370.497 2.702 20 70 FFIDRO Cc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(Br)c1 ZINC000159504614 508850794 /nfs/dbraw/zinc/85/07/94/508850794.db2.gz SFQNUHPPBROIDN-DOMZBBRYSA-N 1 0 355.276 2.789 20 70 FFIDRO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159527543 508853619 /nfs/dbraw/zinc/85/36/19/508853619.db2.gz KDMKIQOJAFSJRC-IHPCNDPISA-N 1 0 360.498 2.842 20 70 FFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000159576504 508861699 /nfs/dbraw/zinc/86/16/99/508861699.db2.gz SAMZAXCGOWTYFN-QWRGUYRKSA-N 1 0 354.376 2.678 20 70 FFIDRO COc1cc(C(C)=O)ccc1OCCCC(=O)NCC1([NH3+])CCCCC1 ZINC000159614234 508866193 /nfs/dbraw/zinc/86/61/93/508866193.db2.gz ROTOUWGWYFSJDB-UHFFFAOYSA-N 1 0 362.470 2.835 20 70 FFIDRO C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000159628742 508868004 /nfs/dbraw/zinc/86/80/04/508868004.db2.gz LVYYWXRUVBKBPR-GUYCJALGSA-N 1 0 352.425 2.860 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)CCc1nnc(C2CCCC2)o1)Cc1ccccc1 ZINC000159629618 508868883 /nfs/dbraw/zinc/86/88/83/508868883.db2.gz QMPWMWMUCDJKSA-SFHVURJKSA-N 1 0 370.497 2.949 20 70 FFIDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C[C@H](C)SC)c1 ZINC000159656225 508871768 /nfs/dbraw/zinc/87/17/68/508871768.db2.gz CLUHFSVQFBVRIN-AWEZNQCLSA-N 1 0 351.516 2.838 20 70 FFIDRO Cc1cc(=O)c(C(=O)NCC[NH2+]C2CCCCCC2)nn1-c1ccccc1 ZINC000159663451 508872829 /nfs/dbraw/zinc/87/28/29/508872829.db2.gz VUVZJEOLZNOCSA-UHFFFAOYSA-N 1 0 368.481 2.583 20 70 FFIDRO CCc1c(C(=O)NCC[NH2+]C2CCCCCC2)cnn1-c1ccccn1 ZINC000159702363 508877451 /nfs/dbraw/zinc/87/74/51/508877451.db2.gz ITSKMZFSYIUMQF-UHFFFAOYSA-N 1 0 355.486 2.872 20 70 FFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccnn2C[C@@H]2CCOC2)c1 ZINC000159756873 508885701 /nfs/dbraw/zinc/88/57/01/508885701.db2.gz AHVOMZKBRRRZPK-SFHVURJKSA-N 1 0 371.485 2.693 20 70 FFIDRO CCc1nc(-c2ccc(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)cc2)n[nH]1 ZINC000159766056 508888203 /nfs/dbraw/zinc/88/82/03/508888203.db2.gz RNSSQWDGILTSJU-DLBZAZTESA-N 1 0 353.470 2.590 20 70 FFIDRO O=C(COc1cccc(Br)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159827977 508897221 /nfs/dbraw/zinc/89/72/21/508897221.db2.gz MPTJKORUYZEUSV-UHFFFAOYSA-N 1 0 367.287 2.819 20 70 FFIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C)cc1 ZINC000159850653 508900411 /nfs/dbraw/zinc/90/04/11/508900411.db2.gz FQJHPMUZEFYWOB-JKSUJKDBSA-N 1 0 358.486 2.675 20 70 FFIDRO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1NC(=O)c1ccco1 ZINC000159862622 508902683 /nfs/dbraw/zinc/90/26/83/508902683.db2.gz OSJKFNYLSLVXDN-IYBDPMFKSA-N 1 0 353.422 2.807 20 70 FFIDRO C[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@H+](C)C1CC1 ZINC000159864757 508902737 /nfs/dbraw/zinc/90/27/37/508902737.db2.gz GBIIEJWRRVNKIN-QGZVFWFLSA-N 1 0 350.551 2.767 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000159906694 508908937 /nfs/dbraw/zinc/90/89/37/508908937.db2.gz PAHWYVOJWVWSSY-HOTGVXAUSA-N 1 0 353.507 2.670 20 70 FFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000159913822 508911187 /nfs/dbraw/zinc/91/11/87/508911187.db2.gz WYJNDYHYFIKFBS-BEFAXECRSA-N 1 0 372.490 2.936 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000159948615 508915664 /nfs/dbraw/zinc/91/56/64/508915664.db2.gz HHZYRCQQXXVJFZ-SJORKVTESA-N 1 0 363.465 2.965 20 70 FFIDRO CCOCCOc1cc(C)ccc1CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159964459 508918095 /nfs/dbraw/zinc/91/80/95/508918095.db2.gz WHGMHSWJJYWZAX-UHFFFAOYSA-N 1 0 363.502 2.648 20 70 FFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000159990276 508921706 /nfs/dbraw/zinc/92/17/06/508921706.db2.gz XEJYWCZCPVLLQQ-INIZCTEOSA-N 1 0 371.485 2.944 20 70 FFIDRO Cc1cccn2cc(COc3ccccc3C(=O)NCC(C)(C)[NH3+])nc12 ZINC000160056435 508931642 /nfs/dbraw/zinc/93/16/42/508931642.db2.gz RCQYFDZNEHVENU-UHFFFAOYSA-N 1 0 352.438 2.689 20 70 FFIDRO O=C(CCNC(=O)C1CCCCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160061478 508932511 /nfs/dbraw/zinc/93/25/11/508932511.db2.gz BLLJIDJDXIXUGU-HXUWFJFHSA-N 1 0 371.525 2.854 20 70 FFIDRO Cc1cc(C[C@@H](C)NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)[nH]n1 ZINC000160067504 508933678 /nfs/dbraw/zinc/93/36/78/508933678.db2.gz FJHBDIIPVPWTLV-OAHLLOKOSA-N 1 0 357.502 2.859 20 70 FFIDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160070140 508934007 /nfs/dbraw/zinc/93/40/07/508934007.db2.gz JOSQKSPDPOIXLQ-OAHLLOKOSA-N 1 0 354.454 2.534 20 70 FFIDRO COc1ccc(CCCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(OC)c1 ZINC000160092646 508937655 /nfs/dbraw/zinc/93/76/55/508937655.db2.gz WDEQZYKZIOJSNP-MJGOQNOKSA-N 1 0 360.498 2.969 20 70 FFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc3c2oc(=O)n3C)c1 ZINC000160129465 508942898 /nfs/dbraw/zinc/94/28/98/508942898.db2.gz IXUQFLSHNOLUCT-UHFFFAOYSA-N 1 0 367.449 2.903 20 70 FFIDRO COc1ccc(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160173376 508949855 /nfs/dbraw/zinc/94/98/55/508949855.db2.gz SHHCUXHUQQDJFE-PMACEKPBSA-N 1 0 360.498 2.512 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160203497 508953810 /nfs/dbraw/zinc/95/38/10/508953810.db2.gz NUFZTFHDLJRUKZ-NQIIRXRSSA-N 1 0 367.493 2.854 20 70 FFIDRO Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](CNC(=O)C(C)C)C3)C2=O)cc1 ZINC000160216162 508954899 /nfs/dbraw/zinc/95/48/99/508954899.db2.gz AMFCCJLVAQYPFF-MJGOQNOKSA-N 1 0 357.498 2.585 20 70 FFIDRO O=C(Cc1cccc2cccnc21)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160260054 508961789 /nfs/dbraw/zinc/96/17/89/508961789.db2.gz MNYFJQJHKWPWTQ-PMACEKPBSA-N 1 0 367.493 2.661 20 70 FFIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1ccc(Br)s1 ZINC000160287768 508965408 /nfs/dbraw/zinc/96/54/08/508965408.db2.gz FMEXVXRNLOXVHU-HCKVZZMMSA-N 1 0 373.316 2.659 20 70 FFIDRO COc1ccc(CCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160329406 508971907 /nfs/dbraw/zinc/97/19/07/508971907.db2.gz RYPDQFRFMOJVSI-RTWAWAEBSA-N 1 0 374.525 2.902 20 70 FFIDRO CC(C)OCc1c2ccccc2oc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160357787 508975246 /nfs/dbraw/zinc/97/52/46/508975246.db2.gz XLNCGKCVOBOULU-MRXNPFEDSA-N 1 0 374.481 2.934 20 70 FFIDRO O=C(CCC(=O)NC1CCCC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000160383648 508979266 /nfs/dbraw/zinc/97/92/66/508979266.db2.gz CWWQQANLSSEIIF-LJQANCHMSA-N 1 0 357.498 2.779 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)[nH]c(C(=O)OC)c1C)CC(C)C ZINC000160457031 508989611 /nfs/dbraw/zinc/98/96/11/508989611.db2.gz QLRJAIGDGVMFNM-HNNXBMFYSA-N 1 0 351.491 2.904 20 70 FFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CC1 ZINC000160469855 508991369 /nfs/dbraw/zinc/99/13/69/508991369.db2.gz YINWXPPEZPEGDY-UHFFFAOYSA-N 1 0 360.502 2.691 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@H]1CSc2ccccc21 ZINC000160476093 508992513 /nfs/dbraw/zinc/99/25/13/508992513.db2.gz OAZBAESLZLGACS-BZSNNMDCSA-N 1 0 360.523 2.760 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)CCSc1ccc2c(c1)OCCCO2 ZINC000160481706 508992941 /nfs/dbraw/zinc/99/29/41/508992941.db2.gz POYIFNHSJCTTNZ-UHFFFAOYSA-N 1 0 352.500 2.964 20 70 FFIDRO O=C(CCc1cccc(F)c1F)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160496456 508994833 /nfs/dbraw/zinc/99/48/33/508994833.db2.gz HNJBBAHOUHDOMD-QZTJIDSGSA-N 1 0 366.452 2.782 20 70 FFIDRO C[C@H](Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160495501 508995055 /nfs/dbraw/zinc/99/50/55/508995055.db2.gz PSOCZJQVSAKSPV-XPGWFJOJSA-N 1 0 362.489 2.888 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000160551056 509001769 /nfs/dbraw/zinc/00/17/69/509001769.db2.gz FNYMVTANXDJVHM-UHFFFAOYSA-N 1 0 361.873 2.797 20 70 FFIDRO COc1cc(OC)c(CNC(=O)c2ccc(C[NH+](C)C)cc2)c(OC)c1 ZINC000160565018 509003653 /nfs/dbraw/zinc/00/36/53/509003653.db2.gz JXDKJKHFCNWHJS-UHFFFAOYSA-N 1 0 358.438 2.704 20 70 FFIDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C1 ZINC000160589363 509006426 /nfs/dbraw/zinc/00/64/26/509006426.db2.gz LREOQTSDHYQZDU-INIZCTEOSA-N 1 0 359.514 2.924 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc2ncccc21 ZINC000160648488 509014089 /nfs/dbraw/zinc/01/40/89/509014089.db2.gz FNMPIRKZDXHVEN-UXHICEINSA-N 1 0 353.466 2.733 20 70 FFIDRO COc1ccc(Cl)cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160651566 509014720 /nfs/dbraw/zinc/01/47/20/509014720.db2.gz PVDIDUHPMZENNN-DLBZAZTESA-N 1 0 366.889 2.846 20 70 FFIDRO COc1cccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1OC ZINC000160669184 509017698 /nfs/dbraw/zinc/01/76/98/509017698.db2.gz NYXOPWXDNJARAY-UHFFFAOYSA-N 1 0 363.502 2.967 20 70 FFIDRO Cc1conc1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000160698159 509022006 /nfs/dbraw/zinc/02/20/06/509022006.db2.gz GFFXWURCIYZHRW-KRWDZBQOSA-N 1 0 370.453 2.511 20 70 FFIDRO CC[C@H](O)CCNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000160700809 509022874 /nfs/dbraw/zinc/02/28/74/509022874.db2.gz ODYIEXWLBXMLFJ-HKUYNNGSSA-N 1 0 363.502 2.682 20 70 FFIDRO Cc1cnccc1CCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000160723252 509025060 /nfs/dbraw/zinc/02/50/60/509025060.db2.gz FKTNREQEPZQTRZ-FQEVSTJZSA-N 1 0 366.509 2.796 20 70 FFIDRO C[C@H]1CCC[C@](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)([NH+](C)C)C1 ZINC000160779567 509031813 /nfs/dbraw/zinc/03/18/13/509031813.db2.gz AQAUADGKHBDJGY-BTYIYWSLSA-N 1 0 357.498 2.819 20 70 FFIDRO CCn1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)cn1 ZINC000160781027 509031983 /nfs/dbraw/zinc/03/19/83/509031983.db2.gz UPEVHZPKGGFJHG-NSHDSACASA-N 1 0 351.248 2.955 20 70 FFIDRO Cc1c(C(=O)Nc2ccccc2CC(F)(F)F)nnn1C1CC[NH2+]CC1 ZINC000160798438 509034061 /nfs/dbraw/zinc/03/40/61/509034061.db2.gz WEEPHIPNWDAKTA-UHFFFAOYSA-N 1 0 367.375 2.868 20 70 FFIDRO C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000160853246 509040031 /nfs/dbraw/zinc/04/00/31/509040031.db2.gz MUJZFGNRXLABMI-YJBOKZPZSA-N 1 0 372.490 2.727 20 70 FFIDRO COc1cc(N(C)C(=O)[C@H]2[NH2+]CCc3ccccc32)cc(OC)c1OC ZINC000160856662 509040632 /nfs/dbraw/zinc/04/06/32/509040632.db2.gz LKQXEQOHPUNCFL-SFHVURJKSA-N 1 0 356.422 2.562 20 70 FFIDRO [NH3+]CCCCCCC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000160930247 509049574 /nfs/dbraw/zinc/04/95/74/509049574.db2.gz RHNSKCXTONDFBD-HNNXBMFYSA-N 1 0 351.878 2.861 20 70 FFIDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000160941427 509050981 /nfs/dbraw/zinc/05/09/81/509050981.db2.gz AYRMVWBJDMVQTP-OAGGEKHMSA-N 1 0 356.470 2.520 20 70 FFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000160963818 509054010 /nfs/dbraw/zinc/05/40/10/509054010.db2.gz SJOLTFAZJPNWPG-GOSISDBHSA-N 1 0 358.413 2.954 20 70 FFIDRO Cc1c(CNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)cnn1C ZINC000161000912 509058568 /nfs/dbraw/zinc/05/85/68/509058568.db2.gz IOLSDIPIOADMKO-UHFFFAOYSA-N 1 0 369.513 2.960 20 70 FFIDRO CCc1cccc(CC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000161008424 509059157 /nfs/dbraw/zinc/05/91/57/509059157.db2.gz OEIUJXBSEILMMK-UHFFFAOYSA-N 1 0 372.431 2.905 20 70 FFIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCNC(=O)C1CCCCC1 ZINC000161012466 509060302 /nfs/dbraw/zinc/06/03/02/509060302.db2.gz LLHAZVRKPMRHIB-BRWVUGGUSA-N 1 0 351.535 2.556 20 70 FFIDRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCOC1 ZINC000161031931 509062273 /nfs/dbraw/zinc/06/22/73/509062273.db2.gz IIMFVQGXYURQNE-DZGCQCFKSA-N 1 0 369.303 2.812 20 70 FFIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000161058147 509065661 /nfs/dbraw/zinc/06/56/61/509065661.db2.gz FQCXMTAUOOQYLP-UHFFFAOYSA-N 1 0 365.477 2.587 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000161079027 509067899 /nfs/dbraw/zinc/06/78/99/509067899.db2.gz KAMMRWHHCVDVBX-QGZVFWFLSA-N 1 0 359.514 2.763 20 70 FFIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000161091520 509070450 /nfs/dbraw/zinc/07/04/50/509070450.db2.gz BDGLUFDSLZLNIE-DYESRHJHSA-N 1 0 368.477 2.900 20 70 FFIDRO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000161140566 509077010 /nfs/dbraw/zinc/07/70/10/509077010.db2.gz QPPPBVZTWSMYSZ-OAHLLOKOSA-N 1 0 367.534 2.728 20 70 FFIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000161170699 509080558 /nfs/dbraw/zinc/08/05/58/509080558.db2.gz AFUVKUBORBIAJL-KURKYZTESA-N 1 0 361.486 2.619 20 70 FFIDRO CC(C)c1noc(CCCNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000161171352 509080926 /nfs/dbraw/zinc/08/09/26/509080926.db2.gz DFWDTPCHPDNLGH-HNNXBMFYSA-N 1 0 351.495 2.689 20 70 FFIDRO CC(C)c1noc(CCCNC(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000161181580 509082009 /nfs/dbraw/zinc/08/20/09/509082009.db2.gz ACQCSFTVLCORGB-UHFFFAOYSA-N 1 0 359.474 2.687 20 70 FFIDRO CN(C[C@@H]1CCC[C@H]1O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000161193634 509084423 /nfs/dbraw/zinc/08/44/23/509084423.db2.gz ICLISGWALHCGKB-DLBZAZTESA-N 1 0 369.575 2.541 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000161231951 509089721 /nfs/dbraw/zinc/08/97/21/509089721.db2.gz WBBQKUCINJOWKN-AWEZNQCLSA-N 1 0 369.387 2.656 20 70 FFIDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161281826 509096452 /nfs/dbraw/zinc/09/64/52/509096452.db2.gz URFAGMDEOUPLFD-QGZVFWFLSA-N 1 0 356.474 2.820 20 70 FFIDRO CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000161295055 509098461 /nfs/dbraw/zinc/09/84/61/509098461.db2.gz NNLGKEFYNJAATL-IAGOWNOFSA-N 1 0 351.535 2.652 20 70 FFIDRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161301340 509098903 /nfs/dbraw/zinc/09/89/03/509098903.db2.gz QXUQOZYPVYORKR-MRXNPFEDSA-N 1 0 358.269 2.780 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)NCc3ccc(C[NH+](C)C)cc3)cc2)n1 ZINC000161319467 509101671 /nfs/dbraw/zinc/10/16/71/509101671.db2.gz SMMQFYUDWCULQV-UHFFFAOYSA-N 1 0 364.453 2.865 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000161328298 509103010 /nfs/dbraw/zinc/10/30/10/509103010.db2.gz WNFBLRJOOTZQRN-LBPRGKRZSA-N 1 0 350.513 2.611 20 70 FFIDRO Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1I ZINC000161339335 509103808 /nfs/dbraw/zinc/10/38/08/509103808.db2.gz HBDHFKQMBLCNRX-NEPJUHHUSA-N 1 0 358.223 2.599 20 70 FFIDRO CC(C)c1ccc(N2CC[C@H](C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1 ZINC000161342798 509104333 /nfs/dbraw/zinc/10/43/33/509104333.db2.gz FVMVCAGJFVWTOA-OXJNMPFZSA-N 1 0 369.509 2.763 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)c1cn(-c2cccc(C)c2)nn1)c1ccco1 ZINC000161410720 509112919 /nfs/dbraw/zinc/11/29/19/509112919.db2.gz TYNSMRSVLAPEOE-SFHVURJKSA-N 1 0 367.453 2.982 20 70 FFIDRO CC(C)c1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000161424604 509113861 /nfs/dbraw/zinc/11/38/61/509113861.db2.gz BOEAPZZFSGDFNR-INIZCTEOSA-N 1 0 368.543 2.523 20 70 FFIDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c(OC)c1 ZINC000161428124 509114524 /nfs/dbraw/zinc/11/45/24/509114524.db2.gz AODDYPGTSVIIGJ-RDJZCZTQSA-N 1 0 372.465 2.787 20 70 FFIDRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](CNC(C)=O)C2)cc1)C(C)C ZINC000161440291 509115653 /nfs/dbraw/zinc/11/56/53/509115653.db2.gz GFFVPMNIWAVVSK-LJQANCHMSA-N 1 0 359.514 2.905 20 70 FFIDRO O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000161450839 509116904 /nfs/dbraw/zinc/11/69/04/509116904.db2.gz OMRLEXUFBABLIK-UYAOXDASSA-N 1 0 366.436 2.962 20 70 FFIDRO CC(=O)NC1CCC([NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)CC1 ZINC000161497677 509122214 /nfs/dbraw/zinc/12/22/14/509122214.db2.gz SCIRJFVCTGALRZ-GPANFISMSA-N 1 0 367.440 2.904 20 70 FFIDRO C[C@@H](CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000159362713 508831455 /nfs/dbraw/zinc/83/14/55/508831455.db2.gz VAORZVAZGMNGIS-LAUBAEHRSA-N 1 0 352.478 2.716 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000159373583 508832377 /nfs/dbraw/zinc/83/23/77/508832377.db2.gz QEFMZAQFAIBZMQ-BFYDXBDKSA-N 1 0 354.516 2.793 20 70 FFIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000159442352 508842480 /nfs/dbraw/zinc/84/24/80/508842480.db2.gz QHEZHRVNAWFGLF-GASCZTMLSA-N 1 0 359.470 2.619 20 70 FFIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000159454619 508844256 /nfs/dbraw/zinc/84/42/56/508844256.db2.gz FQLNUYLQSXKCCT-CQSZACIVSA-N 1 0 357.545 2.704 20 70 FFIDRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nn1-c1ccc(F)cc1F ZINC000159460341 508845059 /nfs/dbraw/zinc/84/50/59/508845059.db2.gz YILCIQMTAGUYES-CABCVRRESA-N 1 0 360.408 2.768 20 70 FFIDRO CCc1ccc([C@H](CO)NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000159498432 508850159 /nfs/dbraw/zinc/85/01/59/508850159.db2.gz ZLIWYFJKCMAJAA-FQEVSTJZSA-N 1 0 359.514 2.989 20 70 FFIDRO CC[C@@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[NH+](C)C ZINC000159543820 508856100 /nfs/dbraw/zinc/85/61/00/508856100.db2.gz WGJDJRZELMPAOH-AWEZNQCLSA-N 1 0 372.296 2.618 20 70 FFIDRO CN(C[C@H]1CCC[C@H]1O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000159551673 508857339 /nfs/dbraw/zinc/85/73/39/508857339.db2.gz QEHYACCHNLXCBD-VQIMIIECSA-N 1 0 363.477 2.593 20 70 FFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000159576381 508860548 /nfs/dbraw/zinc/86/05/48/508860548.db2.gz SAMZAXCGOWTYFN-MNOVXSKESA-N 1 0 354.376 2.678 20 70 FFIDRO CCC(CC)(C[NH2+]CC(=O)Nc1cc(Cl)ccc1OC)C(=O)OC ZINC000159650820 508871292 /nfs/dbraw/zinc/87/12/92/508871292.db2.gz PLAPHMBIUIBACY-UHFFFAOYSA-N 1 0 356.850 2.856 20 70 FFIDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(N3CCCC3=O)ccc2F)c1 ZINC000159714763 508880122 /nfs/dbraw/zinc/88/01/22/508880122.db2.gz HBMLFTXZXMLSFA-UHFFFAOYSA-N 1 0 369.440 2.944 20 70 FFIDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159753217 508885627 /nfs/dbraw/zinc/88/56/27/508885627.db2.gz XSNGIQALBXWDPG-UHFFFAOYSA-N 1 0 354.498 2.944 20 70 FFIDRO Cc1c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cnn1C1CCOCC1 ZINC000159785477 508890492 /nfs/dbraw/zinc/89/04/92/508890492.db2.gz WRLMIZLVENVQFQ-FQEVSTJZSA-N 1 0 370.497 2.884 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)CCc1nc(-c2ccoc2)no1)C1CCCCC1 ZINC000159828491 508897180 /nfs/dbraw/zinc/89/71/80/508897180.db2.gz CIXYNFSGGWSJIS-MRXNPFEDSA-N 1 0 360.458 2.889 20 70 FFIDRO CC(C)NC(=O)Nc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159828270 508897211 /nfs/dbraw/zinc/89/72/11/508897211.db2.gz IFNCUDVSROPRDP-UHFFFAOYSA-N 1 0 358.486 2.821 20 70 FFIDRO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159848994 508900039 /nfs/dbraw/zinc/90/00/39/508900039.db2.gz LDZJOHHDTPTDMA-HZPDHXFCSA-N 1 0 358.486 2.820 20 70 FFIDRO CCNC(=O)COc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)cc1OC ZINC000159872275 508904432 /nfs/dbraw/zinc/90/44/32/508904432.db2.gz DZHDREDOLIHLKB-UHFFFAOYSA-N 1 0 372.465 2.851 20 70 FFIDRO CCC(CC)(CNC(=O)N[C@H]1CCC(=O)N(C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000159879791 508905288 /nfs/dbraw/zinc/90/52/88/508905288.db2.gz SCYFZYXYQOWFMJ-WMZOPIPTSA-N 1 0 374.529 2.816 20 70 FFIDRO CC[C@@H](CNC(=O)CNC(=O)CC1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000159972224 508919004 /nfs/dbraw/zinc/91/90/04/508919004.db2.gz KTVFMISHPDMLOU-FQEVSTJZSA-N 1 0 371.525 2.636 20 70 FFIDRO C[C@@H](Sc1ccccc1Cl)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160023914 508927651 /nfs/dbraw/zinc/92/76/51/508927651.db2.gz NBFWPRFBPLSQDC-KGLIPLIRSA-N 1 0 356.919 2.784 20 70 FFIDRO O=C(CCc1ccc(-c2ccccc2)o1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160056908 508931948 /nfs/dbraw/zinc/93/19/48/508931948.db2.gz QOOPVDQOAHQPNW-SFHVURJKSA-N 1 0 356.466 2.842 20 70 FFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000160107360 508939460 /nfs/dbraw/zinc/93/94/60/508939460.db2.gz VXFCEGXQYCBMTO-IVMQYODDSA-N 1 0 363.546 2.842 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000160172092 508949145 /nfs/dbraw/zinc/94/91/45/508949145.db2.gz ZDALFWRAMSVYCQ-DLBZAZTESA-N 1 0 354.853 2.977 20 70 FFIDRO Cc1ccc2nc(COc3cccc(C(=O)N4CCC[C@@H]4C[NH3+])c3)cn2c1 ZINC000160197287 508952687 /nfs/dbraw/zinc/95/26/87/508952687.db2.gz UORFEVSPRZNYLC-GOSISDBHSA-N 1 0 364.449 2.785 20 70 FFIDRO C[C@@H](CNC(=O)N1CCO[C@H](c2cccs2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160203250 508953410 /nfs/dbraw/zinc/95/34/10/508953410.db2.gz HNDOCBMBUCOSNI-PMPSAXMXSA-N 1 0 351.516 2.951 20 70 FFIDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160205023 508954438 /nfs/dbraw/zinc/95/44/38/508954438.db2.gz AUYBTJVBSURQFZ-DYESRHJHSA-N 1 0 359.514 2.975 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(OC(F)F)c1 ZINC000160212214 508954936 /nfs/dbraw/zinc/95/49/36/508954936.db2.gz JXBPBIGSQYXKEW-DLBZAZTESA-N 1 0 368.424 2.786 20 70 FFIDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCO[C@@H](c2ccsc2)C1 ZINC000160241367 508959221 /nfs/dbraw/zinc/95/92/21/508959221.db2.gz ITHUDILWICUTFU-LJQANCHMSA-N 1 0 371.506 2.889 20 70 FFIDRO Cn1cnc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)cnc21 ZINC000160262745 508961502 /nfs/dbraw/zinc/96/15/02/508961502.db2.gz JUXVVPXEJMFGSS-UHFFFAOYSA-N 1 0 371.872 2.826 20 70 FFIDRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC000160394196 508981320 /nfs/dbraw/zinc/98/13/20/508981320.db2.gz QNYXPLWCFLMBKS-VQTJNVASSA-N 1 0 370.493 2.883 20 70 FFIDRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cncc(F)c1 ZINC000160400443 508982280 /nfs/dbraw/zinc/98/22/80/508982280.db2.gz RESJZQCILQPRHY-HNNXBMFYSA-N 1 0 374.435 2.749 20 70 FFIDRO CC(C)CNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160420587 508984507 /nfs/dbraw/zinc/98/45/07/508984507.db2.gz LDSRUMRLQLVOLM-XYPWUTKMSA-N 1 0 353.507 2.621 20 70 FFIDRO Cc1cc(N2CCC[C@@H]2C[NH+]2CCCCC2)n2nc(C(F)(F)F)nc2n1 ZINC000160437516 508986485 /nfs/dbraw/zinc/98/64/85/508986485.db2.gz IGLQAWYCXNXQQD-CYBMUJFWSA-N 1 0 368.407 2.906 20 70 FFIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCOC2(C1)CCCCCC2 ZINC000160476315 508992210 /nfs/dbraw/zinc/99/22/10/508992210.db2.gz CZKUUZKBSOBSQR-GOSISDBHSA-N 1 0 352.519 2.731 20 70 FFIDRO CCOc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1C ZINC000160517557 508998134 /nfs/dbraw/zinc/99/81/34/508998134.db2.gz DIUXXSYWLHDYCL-MOPGFXCFSA-N 1 0 360.498 2.891 20 70 FFIDRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160553931 509001850 /nfs/dbraw/zinc/00/18/50/509001850.db2.gz BXVWBSQWBMLFAW-MRXNPFEDSA-N 1 0 362.514 2.572 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000160552311 509001945 /nfs/dbraw/zinc/00/19/45/509001945.db2.gz JZAVSTDREXXTLH-NMLBUPMWSA-N 1 0 360.473 2.813 20 70 FFIDRO COc1ccccc1CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160559450 509002734 /nfs/dbraw/zinc/00/27/34/509002734.db2.gz BBRFVJMSRYXFSJ-OALUTQOASA-N 1 0 360.498 2.512 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000160563123 509003733 /nfs/dbraw/zinc/00/37/33/509003733.db2.gz WNRIQMFDZQTFBP-NSHDSACASA-N 1 0 358.408 2.542 20 70 FFIDRO COc1ccccc1/C=C/C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160603681 509009197 /nfs/dbraw/zinc/00/91/97/509009197.db2.gz DTKDLHWZPWOZKR-MMKWGKFASA-N 1 0 358.482 2.593 20 70 FFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000160612886 509010287 /nfs/dbraw/zinc/01/02/87/509010287.db2.gz UCVMRZYFRHHFIF-MSOLQXFVSA-N 1 0 371.481 2.789 20 70 FFIDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000160646569 509013968 /nfs/dbraw/zinc/01/39/68/509013968.db2.gz ATPMWVJGWWEHMA-HOTGVXAUSA-N 1 0 355.486 2.960 20 70 FFIDRO O=C([C@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160734814 509026868 /nfs/dbraw/zinc/02/68/68/509026868.db2.gz AOHIHWZPZUJHGV-AEFFLSMTSA-N 1 0 364.436 2.639 20 70 FFIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)CS(=O)(=O)C(C)(C)C ZINC000160751620 509028862 /nfs/dbraw/zinc/02/88/62/509028862.db2.gz HXVUSERREORKAW-UHFFFAOYSA-N 1 0 370.515 2.559 20 70 FFIDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1C ZINC000160769123 509030399 /nfs/dbraw/zinc/03/03/99/509030399.db2.gz KSWVWKLVCAQFGI-VQTJNVASSA-N 1 0 360.498 2.566 20 70 FFIDRO COc1cccc(Cl)c1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160783661 509032311 /nfs/dbraw/zinc/03/23/11/509032311.db2.gz DXSZRAOUTXFHLS-HOTGVXAUSA-N 1 0 374.868 2.714 20 70 FFIDRO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160810184 509035418 /nfs/dbraw/zinc/03/54/18/509035418.db2.gz NNEWTFAPBPFEII-WMZOPIPTSA-N 1 0 359.518 2.900 20 70 FFIDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000160882284 509043551 /nfs/dbraw/zinc/04/35/51/509043551.db2.gz JEGDQCVWNKDDBT-KBPBESRZSA-N 1 0 359.470 2.618 20 70 FFIDRO CCc1nnc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)s1 ZINC000160882406 509043576 /nfs/dbraw/zinc/04/35/76/509043576.db2.gz APMKCJVZJQBPIK-UHFFFAOYSA-N 1 0 360.483 2.557 20 70 FFIDRO O=C(Nc1ccn(CC(F)(F)F)n1)NC1CC[NH+](C2CCCC2)CC1 ZINC000160909864 509046523 /nfs/dbraw/zinc/04/65/23/509046523.db2.gz GEUONUYBVKLHEF-UHFFFAOYSA-N 1 0 359.396 2.974 20 70 FFIDRO CCC[NH+]1CCC(NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000160924716 509048651 /nfs/dbraw/zinc/04/86/51/509048651.db2.gz ZJHBVKRYLXMMHC-QZTJIDSGSA-N 1 0 373.541 2.900 20 70 FFIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)N3CCCCCC3)CC2)CC1 ZINC000160965637 509053980 /nfs/dbraw/zinc/05/39/80/509053980.db2.gz WBPPNOPUGGCUNI-UHFFFAOYSA-N 1 0 357.564 2.740 20 70 FFIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC000160961851 509054428 /nfs/dbraw/zinc/05/44/28/509054428.db2.gz MEUVOTFXVGLQQQ-YYZRRKBYSA-N 1 0 371.591 2.842 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000160969117 509055157 /nfs/dbraw/zinc/05/51/57/509055157.db2.gz XKOSOAWKNUAQAL-DLBZAZTESA-N 1 0 374.529 2.997 20 70 FFIDRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCOC1 ZINC000161032057 509062354 /nfs/dbraw/zinc/06/23/54/509062354.db2.gz IIMFVQGXYURQNE-UKRRQHHQSA-N 1 0 369.303 2.812 20 70 FFIDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc(C)c1F ZINC000161037545 509063020 /nfs/dbraw/zinc/06/30/20/509063020.db2.gz RZNPYOCPWZFXKL-AWEZNQCLSA-N 1 0 357.429 2.508 20 70 FFIDRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000161066170 509066750 /nfs/dbraw/zinc/06/67/50/509066750.db2.gz SUVMHUVYDFXLPT-QFBILLFUSA-N 1 0 359.514 2.905 20 70 FFIDRO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1CCOCC1 ZINC000161076094 509068107 /nfs/dbraw/zinc/06/81/07/509068107.db2.gz JHOWPVHIEFQQLC-MRXNPFEDSA-N 1 0 373.497 2.542 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)cc1 ZINC000161212060 509086657 /nfs/dbraw/zinc/08/66/57/509086657.db2.gz UPYFSWZUBRNQQH-UHFFFAOYSA-N 1 0 365.433 2.650 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)NCc3cccc(C[NH+](C)C)c3)cc2)n1 ZINC000161241768 509090726 /nfs/dbraw/zinc/09/07/26/509090726.db2.gz NOAMHIGEJSOPTF-UHFFFAOYSA-N 1 0 364.453 2.865 20 70 FFIDRO CCc1ccc([C@@H](NC(=O)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000161274020 509094650 /nfs/dbraw/zinc/09/46/50/509094650.db2.gz MJOQTJBZYOEJKK-HXUWFJFHSA-N 1 0 374.506 2.597 20 70 FFIDRO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000161274040 509095166 /nfs/dbraw/zinc/09/51/66/509095166.db2.gz HCXIVQZLYXWOPE-AWEZNQCLSA-N 1 0 354.834 2.705 20 70 FFIDRO CC(C)NC(=O)c1ccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000161289107 509097726 /nfs/dbraw/zinc/09/77/26/509097726.db2.gz NPVCCMBMZFOPAI-LJQANCHMSA-N 1 0 371.456 2.997 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000161296170 509098246 /nfs/dbraw/zinc/09/82/46/509098246.db2.gz CUKWDBAJUIIGCE-UHFFFAOYSA-N 1 0 366.465 2.988 20 70 FFIDRO CNC(=O)c1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000161415305 509113122 /nfs/dbraw/zinc/11/31/22/509113122.db2.gz BQFBDUCOXHMVPI-BEFAXECRSA-N 1 0 366.465 2.688 20 70 FFIDRO O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000161450574 509117185 /nfs/dbraw/zinc/11/71/85/509117185.db2.gz OMRLEXUFBABLIK-AZUAARDMSA-N 1 0 366.436 2.962 20 70 FFIDRO CCC(CC)n1nccc1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000161469917 509119799 /nfs/dbraw/zinc/11/97/99/509119799.db2.gz WCAKPTMCILMGFI-HUUCEWRRSA-N 1 0 350.507 2.862 20 70 FFIDRO Cc1ccc(CNC(=O)CN2CCO[C@@]3(CCc4ccccc43)C2)cc1F ZINC000159385577 508834447 /nfs/dbraw/zinc/83/44/47/508834447.db2.gz VZWMVTXXYUDPPU-QFIPXVFZSA-N 1 0 368.452 2.924 20 70 FFIDRO CNC(=O)c1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000159410404 508838382 /nfs/dbraw/zinc/83/83/82/508838382.db2.gz IYFZVOJTVFIUPG-UHFFFAOYSA-N 1 0 366.893 2.942 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000159412077 508838673 /nfs/dbraw/zinc/83/86/73/508838673.db2.gz PJEWZBHIMIHQFS-CYBMUJFWSA-N 1 0 371.403 2.738 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cnn(C)c1C)c1cccc(OC)c1 ZINC000159417467 508839248 /nfs/dbraw/zinc/83/92/48/508839248.db2.gz OJTXVIPOYNGPOX-LJQANCHMSA-N 1 0 373.501 2.619 20 70 FFIDRO O=C(c1c[nH]nc1-c1cccc(OC(F)F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159429157 508840896 /nfs/dbraw/zinc/84/08/96/508840896.db2.gz ZJWKAPVWSJPACP-BETUJISGSA-N 1 0 362.380 2.645 20 70 FFIDRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000159450208 508844037 /nfs/dbraw/zinc/84/40/37/508844037.db2.gz XXMBPRVSCFSFGC-HRCADAONSA-N 1 0 357.498 2.692 20 70 FFIDRO Cc1c([C@H](C)[NH2+]CCCN2CCCC2=O)nnn1-c1cccc(Cl)c1 ZINC000159468055 508845968 /nfs/dbraw/zinc/84/59/68/508845968.db2.gz FXGIHVWSWORLIU-ZDUSSCGKSA-N 1 0 361.877 2.892 20 70 FFIDRO COCCNc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000159485460 508848569 /nfs/dbraw/zinc/84/85/69/508848569.db2.gz OAISDDROARXJQP-FQEVSTJZSA-N 1 0 374.529 2.905 20 70 FFIDRO C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159487087 508848715 /nfs/dbraw/zinc/84/87/15/508848715.db2.gz SQUGJNUKXLZMFG-XUJVJEKNSA-N 1 0 355.276 2.869 20 70 FFIDRO CCC(CC)c1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)on1 ZINC000159531455 508853870 /nfs/dbraw/zinc/85/38/70/508853870.db2.gz WMPDZWLNSCVGDN-UHFFFAOYSA-N 1 0 371.485 2.655 20 70 FFIDRO CC1CC[NH+](C[C@H](O)CNC(=O)C(C)(C)c2cccc(Cl)c2)CC1 ZINC000159547470 508857006 /nfs/dbraw/zinc/85/70/06/508857006.db2.gz VNMSJNIFCJSALV-QGZVFWFLSA-N 1 0 352.906 2.827 20 70 FFIDRO Cc1cc(F)cc2c(O)c(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)cnc12 ZINC000159564249 508858942 /nfs/dbraw/zinc/85/89/42/508858942.db2.gz ZVCKATBZMLATIS-AWEZNQCLSA-N 1 0 359.445 2.683 20 70 FFIDRO C[N@H+](CCCNC(=O)Nc1ccnn1C[C@H]1CCOC1)C1CCCCC1 ZINC000159736632 508882281 /nfs/dbraw/zinc/88/22/81/508882281.db2.gz PNNHDOKXSUPUCB-MRXNPFEDSA-N 1 0 363.506 2.696 20 70 FFIDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159769164 508888033 /nfs/dbraw/zinc/88/80/33/508888033.db2.gz WRMYTZKRMAOEMP-GOSISDBHSA-N 1 0 366.527 2.766 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000159770311 508888953 /nfs/dbraw/zinc/88/89/53/508888953.db2.gz AYAXACDUSQGVBG-INIZCTEOSA-N 1 0 358.486 2.612 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21)C1CCCCC1 ZINC000159830924 508897985 /nfs/dbraw/zinc/89/79/85/508897985.db2.gz XXBRADOQLRBGMV-SFHVURJKSA-N 1 0 359.445 2.908 20 70 FFIDRO CCCn1ccc2ccc(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)cc21 ZINC000159851125 508900138 /nfs/dbraw/zinc/90/01/38/508900138.db2.gz WIBLUOQFEOSEBH-UHFFFAOYSA-N 1 0 352.442 2.820 20 70 FFIDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C)cc1 ZINC000159850430 508900253 /nfs/dbraw/zinc/90/02/53/508900253.db2.gz FQJHPMUZEFYWOB-HOTGVXAUSA-N 1 0 358.486 2.675 20 70 FFIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccc(-n2cnnn2)cc1 ZINC000159876872 508904738 /nfs/dbraw/zinc/90/47/38/508904738.db2.gz VZHQLXOEHYYMGK-LSDHHAIUSA-N 1 0 368.510 2.821 20 70 FFIDRO Cc1nc(-c2ncccn2)sc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159877329 508904932 /nfs/dbraw/zinc/90/49/32/508904932.db2.gz MGDOKSQRBWVQDO-UHFFFAOYSA-N 1 0 357.483 2.513 20 70 FFIDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000159903988 508909153 /nfs/dbraw/zinc/90/91/53/508909153.db2.gz JOXYRFGVZFHPSZ-INIZCTEOSA-N 1 0 373.419 2.593 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000159989658 508921823 /nfs/dbraw/zinc/92/18/23/508921823.db2.gz QEOYRPBTGBOXFF-UHFFFAOYSA-N 1 0 355.276 2.554 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccccc2OC(F)(F)F)CC1 ZINC000159971198 508919320 /nfs/dbraw/zinc/91/93/20/508919320.db2.gz PJNZKYYBPLUCSM-UHFFFAOYSA-N 1 0 359.392 2.865 20 70 FFIDRO COCCCOc1cccc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000159996471 508922681 /nfs/dbraw/zinc/92/26/81/508922681.db2.gz RFNKRGQSIRUOAD-WBVHZDCISA-N 1 0 361.486 2.526 20 70 FFIDRO C[C@H](N1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1)C(F)(F)F ZINC000160022637 508926733 /nfs/dbraw/zinc/92/67/33/508926733.db2.gz PLKBPXLIHKUXQF-AWEZNQCLSA-N 1 0 363.468 2.840 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c1 ZINC000160077024 508934981 /nfs/dbraw/zinc/93/49/81/508934981.db2.gz JCVVIPNYMLDCGY-CQSZACIVSA-N 1 0 363.483 2.628 20 70 FFIDRO COc1cc(C)c(S(=O)(=O)NCC[NH2+]C2CCCCCC2)cc1OC ZINC000160147135 508945307 /nfs/dbraw/zinc/94/53/07/508945307.db2.gz PJQCUEYUORZTDA-UHFFFAOYSA-N 1 0 370.515 2.603 20 70 FFIDRO C[C@H](CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000160151976 508945987 /nfs/dbraw/zinc/94/59/87/508945987.db2.gz HDQQQDUDNYJZHG-HUUCEWRRSA-N 1 0 371.447 2.951 20 70 FFIDRO Cc1n[nH]c(C)c1[C@@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160158073 508947890 /nfs/dbraw/zinc/94/78/90/508947890.db2.gz HMYHCPSAVKLBLY-OALUTQOASA-N 1 0 369.513 2.583 20 70 FFIDRO CSC[C@](C)(O)CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000160200246 508953401 /nfs/dbraw/zinc/95/34/01/508953401.db2.gz RCJUMAAKHNDLHC-DNVCBOLYSA-N 1 0 365.543 2.625 20 70 FFIDRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160237550 508958449 /nfs/dbraw/zinc/95/84/49/508958449.db2.gz MHFQPNJYNSKKSL-GXSJLCMTSA-N 1 0 361.667 2.820 20 70 FFIDRO O=C(Cc1cccc(Cl)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160250248 508960094 /nfs/dbraw/zinc/96/00/94/508960094.db2.gz BASIFBUDQDXJFV-ZWKOTPCHSA-N 1 0 350.890 2.767 20 70 FFIDRO CC[C@@H](CC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(OC)cc1 ZINC000160252193 508960686 /nfs/dbraw/zinc/96/06/86/508960686.db2.gz JUZPVUWXDHEJSB-KRWDZBQOSA-N 1 0 360.498 2.902 20 70 FFIDRO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)sc2cccc(F)c12 ZINC000160308882 508968545 /nfs/dbraw/zinc/96/85/45/508968545.db2.gz DBUDZZGKWGZBCJ-ZDUSSCGKSA-N 1 0 350.459 2.925 20 70 FFIDRO COCCN(CC(F)F)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160321674 508970185 /nfs/dbraw/zinc/97/01/85/508970185.db2.gz JOKZZPQLXBVBHY-ZBFHGGJFSA-N 1 0 355.429 2.573 20 70 FFIDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](CCO)CSC ZINC000160319884 508970256 /nfs/dbraw/zinc/97/02/56/508970256.db2.gz ICNQWDRUJKTQHX-AAEUAGOBSA-N 1 0 360.907 2.769 20 70 FFIDRO CC[C@H](OC1CCCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160334805 508972578 /nfs/dbraw/zinc/97/25/78/508972578.db2.gz UGGWRSRSVIYGMW-QYZOEREBSA-N 1 0 352.519 2.608 20 70 FFIDRO Cc1ccsc1CCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000160369601 508976833 /nfs/dbraw/zinc/97/68/33/508976833.db2.gz WLPQWTATYGEPBO-UHFFFAOYSA-N 1 0 372.538 2.842 20 70 FFIDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000160385918 508979201 /nfs/dbraw/zinc/97/92/01/508979201.db2.gz BCTBOLIWJPRCBE-QGZVFWFLSA-N 1 0 367.478 2.896 20 70 FFIDRO CNC(=O)c1cccc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000160393228 508980059 /nfs/dbraw/zinc/98/00/59/508980059.db2.gz IISHSGXDRHEDSW-BEFAXECRSA-N 1 0 366.465 2.831 20 70 FFIDRO COc1cccc([C@H](C)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160415622 508983785 /nfs/dbraw/zinc/98/37/85/508983785.db2.gz CFWQBYZEQXAMBO-YSSFQJQWSA-N 1 0 360.498 2.683 20 70 FFIDRO Cc1ccc([C@H](CNC(=O)NCCc2ccncc2C)[NH+]2CCCC2)o1 ZINC000160449488 508988218 /nfs/dbraw/zinc/98/82/18/508988218.db2.gz XPZJDTDIINOOSU-SFHVURJKSA-N 1 0 356.470 2.970 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000160467500 508991592 /nfs/dbraw/zinc/99/15/92/508991592.db2.gz BNUGDZZDVWBFOR-UHFFFAOYSA-N 1 0 372.469 2.594 20 70 FFIDRO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@](C)(O)c2ccc(F)cc2)CC1 ZINC000160472123 508991651 /nfs/dbraw/zinc/99/16/51/508991651.db2.gz NHRHGBMBPNAWSK-IBGZPJMESA-N 1 0 351.466 2.595 20 70 FFIDRO COc1cccc([C@@H]2C[C@H]2C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160497498 508995474 /nfs/dbraw/zinc/99/54/74/508995474.db2.gz BOXJWWAYXMVLER-BQJUDKOJSA-N 1 0 372.509 2.683 20 70 FFIDRO CCOc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1C ZINC000160517664 508997970 /nfs/dbraw/zinc/99/79/70/508997970.db2.gz DIUXXSYWLHDYCL-OALUTQOASA-N 1 0 360.498 2.891 20 70 FFIDRO O=C(NCCOCc1ccc(Cl)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000160529605 508998902 /nfs/dbraw/zinc/99/89/02/508998902.db2.gz XCQJLLICZKUOMZ-QGZVFWFLSA-N 1 0 365.905 2.984 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC000160559983 509003409 /nfs/dbraw/zinc/00/34/09/509003409.db2.gz NHBIKAKFQHUATR-UHFFFAOYSA-N 1 0 352.385 2.925 20 70 FFIDRO O=C(CCCc1cccs1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160566210 509003867 /nfs/dbraw/zinc/00/38/67/509003867.db2.gz QBCMTHWHZHOGDY-QZTJIDSGSA-N 1 0 350.528 2.955 20 70 FFIDRO COc1cc(CN(C)C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])c(SC)cc1OC ZINC000160674001 509017535 /nfs/dbraw/zinc/01/75/35/509017535.db2.gz WLEFPGVFGWPQGX-BVNNNZQISA-N 1 0 364.511 2.758 20 70 FFIDRO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160682892 509019602 /nfs/dbraw/zinc/01/96/02/509019602.db2.gz DEBNUYQQMHHCCK-NQIIRXRSSA-N 1 0 360.498 2.717 20 70 FFIDRO CCOc1cc2[nH+]ccc(N3CCS(=O)(=O)[C@H](C)C3)c2cc1OCC ZINC000160753005 509028842 /nfs/dbraw/zinc/02/88/42/509028842.db2.gz OBHSACVMRUOWDY-CYBMUJFWSA-N 1 0 364.467 2.656 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)o1 ZINC000160754633 509029108 /nfs/dbraw/zinc/02/91/08/509029108.db2.gz AKIFHEOMRXXRBM-STQMWFEESA-N 1 0 371.275 2.540 20 70 FFIDRO CCOc1ccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160753404 509029247 /nfs/dbraw/zinc/02/92/47/509029247.db2.gz IPOQHZGQMSZKSH-HYVMVLATSA-N 1 0 372.509 2.983 20 70 FFIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000160773253 509031074 /nfs/dbraw/zinc/03/10/74/509031074.db2.gz LQPHKUHCQPJARL-QGZVFWFLSA-N 1 0 368.477 2.727 20 70 FFIDRO CC(C)c1noc(CCC[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)n1 ZINC000160794239 509033973 /nfs/dbraw/zinc/03/39/73/509033973.db2.gz GRJUQRYBQOSUTL-ZDUSSCGKSA-N 1 0 366.487 2.848 20 70 FFIDRO CCN(C(=O)NCCc1cscn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160820205 509036388 /nfs/dbraw/zinc/03/63/88/509036388.db2.gz IBSNHUXUGQWJRE-SFHVURJKSA-N 1 0 358.511 2.992 20 70 FFIDRO CCn1cc(C2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)cn1 ZINC000160825826 509037005 /nfs/dbraw/zinc/03/70/05/509037005.db2.gz CWEZGRDXPGDSCO-GOSISDBHSA-N 1 0 359.518 2.809 20 70 FFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000160902040 509045745 /nfs/dbraw/zinc/04/57/45/509045745.db2.gz QNNZBZOWNUJBFH-APWZRJJASA-N 1 0 361.486 2.987 20 70 FFIDRO C[C@H](CC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1F ZINC000160911166 509047581 /nfs/dbraw/zinc/04/75/81/509047581.db2.gz LKSJNBAAUZCYTF-CQSZACIVSA-N 1 0 353.457 2.601 20 70 FFIDRO CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160949748 509051683 /nfs/dbraw/zinc/05/16/83/509051683.db2.gz DOMQUECSMBJPAY-HNNXBMFYSA-N 1 0 353.466 2.876 20 70 FFIDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160977481 509055557 /nfs/dbraw/zinc/05/55/57/509055557.db2.gz ZHZLVAPRTCLANB-SJORKVTESA-N 1 0 366.465 2.676 20 70 FFIDRO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc(OC)c1O ZINC000160976857 509055582 /nfs/dbraw/zinc/05/55/82/509055582.db2.gz GHSOSQASBBSSPK-LBPRGKRZSA-N 1 0 350.440 2.504 20 70 FFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)cc1 ZINC000160990508 509057177 /nfs/dbraw/zinc/05/71/77/509057177.db2.gz XKJCXJWXSQPEOL-AWEZNQCLSA-N 1 0 358.486 2.922 20 70 FFIDRO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccc(NC(N)=O)cc1 ZINC000161014742 509060168 /nfs/dbraw/zinc/06/01/68/509060168.db2.gz AIWIOMDQXASKKG-CQSZACIVSA-N 1 0 361.490 2.802 20 70 FFIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000161038452 509063176 /nfs/dbraw/zinc/06/31/76/509063176.db2.gz ALFLDGCGPMGZAO-ZCNNSNEGSA-N 1 0 354.450 2.877 20 70 FFIDRO CC(C)[NH+](CCSCc1nnc2n1c1ccccc1c(=O)n2C)C(C)C ZINC000161070460 509067440 /nfs/dbraw/zinc/06/74/40/509067440.db2.gz ULZUXILVXRNFLY-UHFFFAOYSA-N 1 0 373.526 2.933 20 70 FFIDRO COc1cccc(-c2ccc(CNC(=O)C3(OC)CC[NH2+]CC3)cc2)c1 ZINC000161080279 509068937 /nfs/dbraw/zinc/06/89/37/509068937.db2.gz SKOJSJSMINGMPA-UHFFFAOYSA-N 1 0 354.450 2.747 20 70 FFIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161101243 509071516 /nfs/dbraw/zinc/07/15/16/509071516.db2.gz CSCPWOCWYCJODP-NVXWUHKLSA-N 1 0 361.486 2.699 20 70 FFIDRO O=C(Nc1cnn(CC(F)(F)F)c1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000161192804 509083502 /nfs/dbraw/zinc/08/35/02/509083502.db2.gz QWHKNLCBPGJHJS-UHFFFAOYSA-N 1 0 352.360 2.705 20 70 FFIDRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cccc1C(F)(F)F ZINC000161213677 509086195 /nfs/dbraw/zinc/08/61/95/509086195.db2.gz AEZYUIRYLBMCJQ-UHFFFAOYSA-N 1 0 369.387 2.695 20 70 FFIDRO Cc1c(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000161231615 509090065 /nfs/dbraw/zinc/09/00/65/509090065.db2.gz RXDUJJFWEQGJLU-BEFAXECRSA-N 1 0 367.497 2.777 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000161245102 509091774 /nfs/dbraw/zinc/09/17/74/509091774.db2.gz ANCJXNPFVGIOTH-UXHICEINSA-N 1 0 365.477 2.758 20 70 FFIDRO Cc1cnccc1CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000161261254 509092981 /nfs/dbraw/zinc/09/29/81/509092981.db2.gz IETWWMMJYWTJIF-FQEVSTJZSA-N 1 0 352.482 2.896 20 70 FFIDRO Cc1ccc(C(C)(C)CN(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000161255560 509093197 /nfs/dbraw/zinc/09/31/97/509093197.db2.gz WBFZPPUHZGFEJP-UHFFFAOYSA-N 1 0 355.486 2.561 20 70 FFIDRO C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)CCC[NH2+]C1 ZINC000161297467 509099156 /nfs/dbraw/zinc/09/91/56/509099156.db2.gz UCKBYOIOLTVJEI-LJQANCHMSA-N 1 0 373.478 2.816 20 70 FFIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)C1 ZINC000161328038 509102848 /nfs/dbraw/zinc/10/28/48/509102848.db2.gz GOQAKIYGLAVYRI-INIZCTEOSA-N 1 0 359.514 2.876 20 70 FFIDRO CC(C)c1ccc(N2CC[C@@H](C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1 ZINC000161343128 509104371 /nfs/dbraw/zinc/10/43/71/509104371.db2.gz FVMVCAGJFVWTOA-UZLBHIALSA-N 1 0 369.509 2.763 20 70 FFIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)ccc2NC1=O ZINC000161374735 509108533 /nfs/dbraw/zinc/10/85/33/509108533.db2.gz RHIMQOQHFBXKTJ-KKBFJZEXSA-N 1 0 373.497 2.999 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000161375645 509108625 /nfs/dbraw/zinc/10/86/25/509108625.db2.gz XLHKCUJYCDKSRH-UHFFFAOYSA-N 1 0 374.529 2.997 20 70 FFIDRO C[C@H](CNC(=O)CCc1cc2ccccc2[nH]c1=O)C[NH+]1CCCCC1 ZINC000161387474 509109801 /nfs/dbraw/zinc/10/98/01/509109801.db2.gz XYFYCKLACJBCPS-MRXNPFEDSA-N 1 0 355.482 2.699 20 70 FFIDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c(OC)c1 ZINC000161428311 509114677 /nfs/dbraw/zinc/11/46/77/509114677.db2.gz AODDYPGTSVIIGJ-DOTOQJQBSA-N 1 0 372.465 2.787 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCc3ccc(OC)cc32)c1 ZINC000161426210 509115015 /nfs/dbraw/zinc/11/50/15/509115015.db2.gz YKDYLZIQHKPOBF-ORAYPTAESA-N 1 0 360.479 2.941 20 70 FFIDRO C[N@H+](CCCNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Cc1ccccc1 ZINC000161467670 509118651 /nfs/dbraw/zinc/11/86/51/509118651.db2.gz DCHITRDXZCXAMG-OTWHNJEPSA-N 1 0 357.498 2.765 20 70 FFIDRO CCC(=O)N1CC[C@@H](C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000161484251 509120227 /nfs/dbraw/zinc/12/02/27/509120227.db2.gz KECLRCNKYJVVRC-HXUWFJFHSA-N 1 0 371.525 2.616 20 70 FFIDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1 ZINC000161511020 509123104 /nfs/dbraw/zinc/12/31/04/509123104.db2.gz UUJMGCROVGGHJG-MAUKXSAKSA-N 1 0 362.495 2.875 20 70 FFIDRO COc1cc(/C=C/C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1OCC(C)C ZINC000159368615 508831376 /nfs/dbraw/zinc/83/13/76/508831376.db2.gz DBNNMCXYZUYUEG-GZNAHNRGSA-N 1 0 358.482 2.955 20 70 FFIDRO CCOc1c(Cl)cc(/C=C/C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000159370152 508832372 /nfs/dbraw/zinc/83/23/72/508832372.db2.gz QUESUGOFUMXYMS-PXPVJAHISA-N 1 0 364.873 2.973 20 70 FFIDRO O=C(CN1CCO[C@]2(CCc3ccccc32)C1)NCc1ccccc1F ZINC000159385789 508834072 /nfs/dbraw/zinc/83/40/72/508834072.db2.gz SAGBKIVMDGNERI-OAQYLSRUSA-N 1 0 354.425 2.616 20 70 FFIDRO COc1cc([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)ccc1S(C)(=O)=O ZINC000159380085 508834481 /nfs/dbraw/zinc/83/44/81/508834481.db2.gz IXYIZPSMFVAXSX-KBXCAEBGSA-N 1 0 357.516 2.937 20 70 FFIDRO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000159432434 508841536 /nfs/dbraw/zinc/84/15/36/508841536.db2.gz OFHNPYZHXOHVMK-ACJLOTCBSA-N 1 0 357.433 2.565 20 70 FFIDRO C[C@@H]([NH3+])C(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000159483224 508848558 /nfs/dbraw/zinc/84/85/58/508848558.db2.gz DOXQBPMYIGUZJL-GFCCVEGCSA-N 1 0 356.401 2.702 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000159498484 508850231 /nfs/dbraw/zinc/85/02/31/508850231.db2.gz HBKPEDMJKKYJRK-MRXNPFEDSA-N 1 0 356.474 2.757 20 70 FFIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(OCc2nccn2C)cc1 ZINC000159499298 508851041 /nfs/dbraw/zinc/85/10/41/508851041.db2.gz LDAUNHWUJZHISU-INIZCTEOSA-N 1 0 356.470 2.662 20 70 FFIDRO CSCC[C@H]([NH3+])C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000159511172 508851702 /nfs/dbraw/zinc/85/17/02/508851702.db2.gz AIPLGMWPEWYGLZ-HOTGVXAUSA-N 1 0 356.919 2.692 20 70 FFIDRO C[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)C[C@H]1CCC[C@@H]1O ZINC000159525047 508853218 /nfs/dbraw/zinc/85/32/18/508853218.db2.gz DXSGURALMBEWRQ-DOMZBBRYSA-N 1 0 368.861 2.533 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)cn2)CC1 ZINC000159536404 508854874 /nfs/dbraw/zinc/85/48/74/508854874.db2.gz QPWXYGGUNDTLNS-WBVHZDCISA-N 1 0 372.419 2.854 20 70 FFIDRO COc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1Cn1cccn1 ZINC000159556114 508858134 /nfs/dbraw/zinc/85/81/34/508858134.db2.gz CPXATZQZXOZTEQ-INIZCTEOSA-N 1 0 356.470 2.603 20 70 FFIDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)CN(C)C[C@H]1CCC[C@@H]1O ZINC000159581997 508861268 /nfs/dbraw/zinc/86/12/68/508861268.db2.gz ASPVJRGXOVCXST-KGLIPLIRSA-N 1 0 368.499 2.573 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)CC1 ZINC000159603346 508864310 /nfs/dbraw/zinc/86/43/10/508864310.db2.gz YJCLPBYROAMFHK-UHFFFAOYSA-N 1 0 359.518 2.555 20 70 FFIDRO CC[C@H](COC)[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000159622005 508866826 /nfs/dbraw/zinc/86/68/26/508866826.db2.gz WOFCOTNCZRBRPZ-GFCCVEGCSA-N 1 0 373.291 2.592 20 70 FFIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000159650321 508871373 /nfs/dbraw/zinc/87/13/73/508871373.db2.gz ZCQUHPRHXNKLOB-UHFFFAOYSA-N 1 0 373.541 2.713 20 70 FFIDRO COC(=O)C1CCC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159669384 508873639 /nfs/dbraw/zinc/87/36/39/508873639.db2.gz MCWRPAGZCFHVIA-RXQRSOPUSA-N 1 0 373.497 2.538 20 70 FFIDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000159785959 508890093 /nfs/dbraw/zinc/89/00/93/508890093.db2.gz PFHSZLMPDSUORY-LEWJYISDSA-N 1 0 368.477 2.795 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)CC1 ZINC000159827652 508896931 /nfs/dbraw/zinc/89/69/31/508896931.db2.gz WKKLDSKULSXGES-UHFFFAOYSA-N 1 0 363.502 2.719 20 70 FFIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCCc1cccs1 ZINC000159901463 508908475 /nfs/dbraw/zinc/90/84/75/508908475.db2.gz KRHGHDFOKHAATG-HUUCEWRRSA-N 1 0 369.494 2.727 20 70 FFIDRO C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H](O)C[NH+]4CCCCC4)cc3c2C1 ZINC000159928840 508912337 /nfs/dbraw/zinc/91/23/37/508912337.db2.gz HDRQUWMNQQKZMN-NVXWUHKLSA-N 1 0 369.509 2.869 20 70 FFIDRO Cc1cccc([C@H](C)C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)c1 ZINC000159942476 508914970 /nfs/dbraw/zinc/91/49/70/508914970.db2.gz GZUGPUDQNAVJSU-KRWDZBQOSA-N 1 0 365.477 2.542 20 70 FFIDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CCCCO2)CC1 ZINC000160031890 508928455 /nfs/dbraw/zinc/92/84/55/508928455.db2.gz OUWJDSAREHSKPB-KRWDZBQOSA-N 1 0 351.878 2.990 20 70 FFIDRO CCOc1cc(CCCNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)ccc1OC ZINC000160063185 508932763 /nfs/dbraw/zinc/93/27/63/508932763.db2.gz OVBGQGNAHGDZJV-LJQANCHMSA-N 1 0 368.477 2.857 20 70 FFIDRO C[C@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C[N@@H+]1Cc1ccccc1 ZINC000160079401 508936012 /nfs/dbraw/zinc/93/60/12/508936012.db2.gz KEWKOVUZFBCNCV-CEDBRAGKSA-N 1 0 365.477 2.607 20 70 FFIDRO CC(C)[C@H](SCc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160093050 508937497 /nfs/dbraw/zinc/93/74/97/508937497.db2.gz SVTDMEPFKCOIMB-MOPGFXCFSA-N 1 0 364.555 2.907 20 70 FFIDRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000160160423 508947840 /nfs/dbraw/zinc/94/78/40/508947840.db2.gz VTYZXOKVOCIPLT-CABCVRRESA-N 1 0 371.447 2.636 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000160171971 508949077 /nfs/dbraw/zinc/94/90/77/508949077.db2.gz ZDALFWRAMSVYCQ-IAGOWNOFSA-N 1 0 354.853 2.977 20 70 FFIDRO Cc1cccc2c(CC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)c[nH]c21 ZINC000160220370 508955863 /nfs/dbraw/zinc/95/58/63/508955863.db2.gz LGASRIBTBIBTLB-PMACEKPBSA-N 1 0 369.509 2.903 20 70 FFIDRO CCOC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160217017 508955905 /nfs/dbraw/zinc/95/59/05/508955905.db2.gz CYSKIZVAOMLZDJ-VQIMIIECSA-N 1 0 373.497 2.634 20 70 FFIDRO C[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000160220126 508955918 /nfs/dbraw/zinc/95/59/18/508955918.db2.gz CIRLDQVTKZORQI-NEPJUHHUSA-N 1 0 356.392 2.878 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000160230082 508957808 /nfs/dbraw/zinc/95/78/08/508957808.db2.gz GEKFQKOFUWWZHJ-IRXDYDNUSA-N 1 0 374.529 2.997 20 70 FFIDRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000160237236 508958358 /nfs/dbraw/zinc/95/83/58/508958358.db2.gz LDHMPQCDXBBQSQ-SJLPKXTDSA-N 1 0 363.502 2.692 20 70 FFIDRO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1cc(Br)cn1C ZINC000160234773 508958375 /nfs/dbraw/zinc/95/83/75/508958375.db2.gz ZMDJRBLFCISYOY-GFCCVEGCSA-N 1 0 359.312 2.659 20 70 FFIDRO C[C@H]1CCC[N@H+](CCNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)C1 ZINC000160257591 508961572 /nfs/dbraw/zinc/96/15/72/508961572.db2.gz HNEOLTCAYPFNKP-IVMQYODDSA-N 1 0 363.546 2.700 20 70 FFIDRO COc1cccc(/C(C)=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160265383 508962607 /nfs/dbraw/zinc/96/26/07/508962607.db2.gz IUEZIVAYDKNEJQ-MMCLUGKTSA-N 1 0 372.509 2.983 20 70 FFIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCNC(=O)C2CCCCC2)C1 ZINC000160286482 508965155 /nfs/dbraw/zinc/96/51/55/508965155.db2.gz CMXRLVATBKXOAV-HDICACEKSA-N 1 0 365.562 2.947 20 70 FFIDRO C[C@@H](O)C[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)C1CCCCC1 ZINC000160312863 508969065 /nfs/dbraw/zinc/96/90/65/508969065.db2.gz UAJUHHLDHCSGAZ-CQSZACIVSA-N 1 0 350.507 2.672 20 70 FFIDRO O=C(NCCCCC[NH+]1CCCCC1)N1CCN(Cc2ccccn2)CC1 ZINC000160330886 508971635 /nfs/dbraw/zinc/97/16/35/508971635.db2.gz JUUDPAZLRWVWCY-UHFFFAOYSA-N 1 0 373.545 2.565 20 70 FFIDRO COc1cc(Cl)ccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160345645 508974196 /nfs/dbraw/zinc/97/41/96/508974196.db2.gz GQOHCYYKMGYFNT-IAGOWNOFSA-N 1 0 366.889 2.846 20 70 FFIDRO CCOc1ccc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160366767 508976998 /nfs/dbraw/zinc/97/69/98/508976998.db2.gz DDJZIOFUBFEMNQ-WOJBJXKFSA-N 1 0 360.498 2.512 20 70 FFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cnn(-c3ccc(F)cc3)c1C)CC2 ZINC000160397807 508981267 /nfs/dbraw/zinc/98/12/67/508981267.db2.gz DBZJUNZAIWRZIF-LRDDRELGSA-N 1 0 354.433 2.885 20 70 FFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cnn(-c3ccc(F)cc3)c1C)CC2 ZINC000160397436 508981277 /nfs/dbraw/zinc/98/12/77/508981277.db2.gz DBZJUNZAIWRZIF-MLGOLLRUSA-N 1 0 354.433 2.885 20 70 FFIDRO CC(C)CCn1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)n1 ZINC000160448724 508988295 /nfs/dbraw/zinc/98/82/95/508988295.db2.gz AIOVSSUWDNFSCB-INIZCTEOSA-N 1 0 351.495 2.504 20 70 FFIDRO C[C@@H](CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000160452825 508989320 /nfs/dbraw/zinc/98/93/20/508989320.db2.gz IMKHLHNUXLDVGU-GJZGRUSLSA-N 1 0 356.474 2.724 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000160465041 508990806 /nfs/dbraw/zinc/99/08/06/508990806.db2.gz OZULFTCITZYZLZ-YYWHXJBOSA-N 1 0 352.478 2.906 20 70 FFIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ncnc3cc(F)c(F)cc32)C[C@@H](C)O1 ZINC000160506926 508996655 /nfs/dbraw/zinc/99/66/55/508996655.db2.gz ZCUNADCUNJCGTJ-MCIONIFRSA-N 1 0 362.424 2.986 20 70 FFIDRO C[NH+](C)CC1CCC(NC(=O)NCc2cccc(N3CC=CC3)c2)CC1 ZINC000160535870 508999531 /nfs/dbraw/zinc/99/95/31/508999531.db2.gz WSKFMJFBCKDSEN-UHFFFAOYSA-N 1 0 356.514 2.982 20 70 FFIDRO O=C(C[NH2+][C@H]1CCc2cc(Br)ccc21)NCC(F)(F)F ZINC000160531662 508999731 /nfs/dbraw/zinc/99/97/31/508999731.db2.gz CSXIJIKMRYSWTI-NSHDSACASA-N 1 0 351.166 2.705 20 70 FFIDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000160544447 509000418 /nfs/dbraw/zinc/00/04/18/509000418.db2.gz PJMQKOHOZOGVPF-QGZVFWFLSA-N 1 0 374.529 2.903 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2cccs2)CCCCC1 ZINC000160583093 509006160 /nfs/dbraw/zinc/00/61/60/509006160.db2.gz XKPQAPAHPICBPX-MRXNPFEDSA-N 1 0 350.528 2.913 20 70 FFIDRO O=C(Cc1ccc(F)cc1Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160601232 509008262 /nfs/dbraw/zinc/00/82/62/509008262.db2.gz IFHJSQMXDQJYCF-ZWKOTPCHSA-N 1 0 368.880 2.906 20 70 FFIDRO Cc1cccc(OCCC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000160623984 509011736 /nfs/dbraw/zinc/01/17/36/509011736.db2.gz DACWZFANMQCAIL-UXHICEINSA-N 1 0 368.477 2.516 20 70 FFIDRO CCOCCO[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000160668077 509017022 /nfs/dbraw/zinc/01/70/22/509017022.db2.gz SFDVVEAKBOGSKJ-IBGZPJMESA-N 1 0 367.534 2.621 20 70 FFIDRO Cc1ccc(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)c(OCC[NH+](C)C)c1 ZINC000160678058 509018528 /nfs/dbraw/zinc/01/85/28/509018528.db2.gz KAGMPHRLFBXIMN-ICSRJNTNSA-N 1 0 369.465 2.715 20 70 FFIDRO Cc1cccc(C)c1OCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160693792 509021262 /nfs/dbraw/zinc/02/12/62/509021262.db2.gz KGWFJDGJEAJCHZ-RBUKOAKNSA-N 1 0 360.498 2.566 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2)n1 ZINC000160697313 509021822 /nfs/dbraw/zinc/02/18/22/509021822.db2.gz YMBUEEPPORCRKF-SFHVURJKSA-N 1 0 364.453 2.907 20 70 FFIDRO O=C(CCCc1nc2ccccc2s1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160700025 509021973 /nfs/dbraw/zinc/02/19/73/509021973.db2.gz NEJCBXJREXKCIV-OAHLLOKOSA-N 1 0 361.511 2.582 20 70 FFIDRO CC1CC[NH+](CCCNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000160700095 509022152 /nfs/dbraw/zinc/02/21/52/509022152.db2.gz VYNXOMWBLFKOTO-UHFFFAOYSA-N 1 0 356.474 2.726 20 70 FFIDRO CC(=O)N1CCCc2cc(NC(=O)NC3CC[NH+](C4CC4)CC3)ccc21 ZINC000160838986 509038435 /nfs/dbraw/zinc/03/84/35/509038435.db2.gz VLYCJXYCDPANBJ-UHFFFAOYSA-N 1 0 356.470 2.734 20 70 FFIDRO Cc1cc(N2CCOCC2)ccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000160841084 509039479 /nfs/dbraw/zinc/03/94/79/509039479.db2.gz MHADUBIGWLVINI-FXAWDEMLSA-N 1 0 372.513 2.780 20 70 FFIDRO C[C@H](CC(=O)c1cccs1)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000160853622 509039927 /nfs/dbraw/zinc/03/99/27/509039927.db2.gz MUJZFGNRXLABMI-CRAIPNDOSA-N 1 0 372.490 2.727 20 70 FFIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160853154 509040161 /nfs/dbraw/zinc/04/01/61/509040161.db2.gz HIKKAFFVLJYFMU-QGZVFWFLSA-N 1 0 366.465 2.630 20 70 FFIDRO COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1C ZINC000160859074 509040718 /nfs/dbraw/zinc/04/07/18/509040718.db2.gz UONYWTPQSAJYGO-KRWDZBQOSA-N 1 0 369.465 2.813 20 70 FFIDRO CC[NH+]1CCC(CCNC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)CC1 ZINC000160876143 509042954 /nfs/dbraw/zinc/04/29/54/509042954.db2.gz NZWVLBJDSFKSAP-UHFFFAOYSA-N 1 0 356.470 2.937 20 70 FFIDRO C[NH+](C)C1CCN(CCNC(=O)c2occc2-c2ccc(F)cc2)CC1 ZINC000160913504 509047255 /nfs/dbraw/zinc/04/72/55/509047255.db2.gz NDMOBQJJPBYWAR-UHFFFAOYSA-N 1 0 359.445 2.842 20 70 FFIDRO COC(=O)CCC1CC[NH+]([C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000160923349 509049017 /nfs/dbraw/zinc/04/90/17/509049017.db2.gz RJSBXZHTHMIWNL-GOSISDBHSA-N 1 0 362.445 2.986 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000160968997 509054859 /nfs/dbraw/zinc/05/48/59/509054859.db2.gz XKOSOAWKNUAQAL-IRXDYDNUSA-N 1 0 374.529 2.997 20 70 FFIDRO COCCN(C(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC000160972191 509055212 /nfs/dbraw/zinc/05/52/12/509055212.db2.gz PURLZPHOYLVJSR-HNNXBMFYSA-N 1 0 364.486 2.709 20 70 FFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000160989925 509057073 /nfs/dbraw/zinc/05/70/73/509057073.db2.gz RKOVPLKBSRUIRJ-SFHVURJKSA-N 1 0 374.533 2.573 20 70 FFIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000160990517 509057221 /nfs/dbraw/zinc/05/72/21/509057221.db2.gz RBAIGQQRHREBDB-KURKYZTESA-N 1 0 351.535 2.953 20 70 FFIDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(F)cc1F ZINC000161018553 509060505 /nfs/dbraw/zinc/06/05/05/509060505.db2.gz VRDRKKWXOOEZBD-PELKAZGASA-N 1 0 367.318 2.782 20 70 FFIDRO COc1cc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)ccc1S(C)(=O)=O ZINC000161020033 509060745 /nfs/dbraw/zinc/06/07/45/509060745.db2.gz MPMQOBLSAGJIDU-RHSMWYFYSA-N 1 0 363.479 2.873 20 70 FFIDRO COCC[C@@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161040742 509063898 /nfs/dbraw/zinc/06/38/98/509063898.db2.gz ULZVOEDHNQJDRK-CYBMUJFWSA-N 1 0 357.292 2.812 20 70 FFIDRO C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000161092646 509070430 /nfs/dbraw/zinc/07/04/30/509070430.db2.gz OLTVGYZFDAHDTF-MAUKXSAKSA-N 1 0 374.506 2.961 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000161116159 509073347 /nfs/dbraw/zinc/07/33/47/509073347.db2.gz VMPLVUWKUXQDQI-UHFFFAOYSA-N 1 0 362.470 2.515 20 70 FFIDRO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000161151543 509077660 /nfs/dbraw/zinc/07/76/60/509077660.db2.gz JYJLCFGJSJUWJC-XJKSGUPXSA-N 1 0 355.885 2.900 20 70 FFIDRO Cc1conc1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000161178911 509081331 /nfs/dbraw/zinc/08/13/31/509081331.db2.gz IDGQKHQXFZIGRZ-UHFFFAOYSA-N 1 0 370.453 2.614 20 70 FFIDRO CC(C)c1ncc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)s1 ZINC000161193700 509084246 /nfs/dbraw/zinc/08/42/46/509084246.db2.gz HDGWYTRFTYJBPG-HOTGVXAUSA-N 1 0 364.559 2.897 20 70 FFIDRO CC(C)c1ncc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)s1 ZINC000161193824 509084399 /nfs/dbraw/zinc/08/43/99/509084399.db2.gz HDGWYTRFTYJBPG-HZPDHXFCSA-N 1 0 364.559 2.897 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000161205248 509085406 /nfs/dbraw/zinc/08/54/06/509085406.db2.gz WEXYIEBZVVMKAQ-UHFFFAOYSA-N 1 0 370.291 2.577 20 70 FFIDRO COc1cccc(NC(=O)[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc2)c1 ZINC000161204381 509085604 /nfs/dbraw/zinc/08/56/04/509085604.db2.gz YUVURDVPOIAVAB-XLIONFOSSA-N 1 0 367.449 2.585 20 70 FFIDRO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccnc1Cl ZINC000161231521 509089862 /nfs/dbraw/zinc/08/98/62/509089862.db2.gz VLAWDACNIASBDN-AWEZNQCLSA-N 1 0 360.889 2.877 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)Cc2ccncc2)CC1 ZINC000161278471 509095598 /nfs/dbraw/zinc/09/55/98/509095598.db2.gz YWDKAIHCTRKTIC-MRXNPFEDSA-N 1 0 353.470 2.844 20 70 FFIDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000161296773 509098474 /nfs/dbraw/zinc/09/84/74/509098474.db2.gz YNVPMSWSJSFRCT-BLLLJJGKSA-N 1 0 363.845 2.784 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000161404791 509112189 /nfs/dbraw/zinc/11/21/89/509112189.db2.gz HULIOIMRISBODC-UKRRQHHQSA-N 1 0 357.454 2.552 20 70 FFIDRO CCOc1cccc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000161416181 509113879 /nfs/dbraw/zinc/11/38/79/509113879.db2.gz PCMLUZMUIPOHOU-DFNIBXOVSA-N 1 0 372.513 2.860 20 70 FFIDRO COCCc1ccc(OCCCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161452022 509117021 /nfs/dbraw/zinc/11/70/21/509117021.db2.gz GWBGANLFCXVRDA-DFNIBXOVSA-N 1 0 360.498 2.776 20 70 FFIDRO CC[N@H+](C)[C@@H](C(=O)NC[C@@H](O)c1cc(OC)ccc1OC)c1ccccc1 ZINC000216733825 509263305 /nfs/dbraw/zinc/26/33/05/509263305.db2.gz KNEBAYMRJWNAOF-UYAOXDASSA-N 1 0 372.465 2.546 20 70 FFIDRO CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000217201484 509267758 /nfs/dbraw/zinc/26/77/58/509267758.db2.gz RPVOAGKSNSLNJB-SJLPKXTDSA-N 1 0 359.470 2.622 20 70 FFIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000159376403 508833476 /nfs/dbraw/zinc/83/34/76/508833476.db2.gz OOAUSGFJEHAZAP-OAHLLOKOSA-N 1 0 354.447 2.866 20 70 FFIDRO Cc1nc2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)cc2s1 ZINC000159462049 508845236 /nfs/dbraw/zinc/84/52/36/508845236.db2.gz CIMYGJOJCCBGGM-AWEZNQCLSA-N 1 0 374.510 2.637 20 70 FFIDRO COc1ccc2oc(C[N@@H+]3CCCC[C@@H]3CCNS(C)(=O)=O)cc2c1 ZINC000159467942 508846091 /nfs/dbraw/zinc/84/60/91/508846091.db2.gz VMXHHLSHTSIOAX-OAHLLOKOSA-N 1 0 366.483 2.735 20 70 FFIDRO Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@@H](C)[NH3+])C3)cc1 ZINC000159488115 508848678 /nfs/dbraw/zinc/84/86/78/508848678.db2.gz IDJFIZVAHZFIHI-CQSZACIVSA-N 1 0 352.438 2.871 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)cn2)CC1 ZINC000159536290 508854324 /nfs/dbraw/zinc/85/43/24/508854324.db2.gz QPWXYGGUNDTLNS-NVXWUHKLSA-N 1 0 372.419 2.854 20 70 FFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000159535990 508854345 /nfs/dbraw/zinc/85/43/45/508854345.db2.gz SMWREDXWSRGCGH-KRWDZBQOSA-N 1 0 370.497 2.838 20 70 FFIDRO Cc1c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cnn1C1CCOCC1 ZINC000159537895 508854640 /nfs/dbraw/zinc/85/46/40/508854640.db2.gz FYAQKEKXDDJYLX-IBGZPJMESA-N 1 0 374.460 2.715 20 70 FFIDRO O=C(c1ccc(Cl)cc1)N1CCC([NH2+]CCCN2CCCC2=O)CC1 ZINC000159552741 508857803 /nfs/dbraw/zinc/85/78/03/508857803.db2.gz CBXJJRHRWRYOLJ-UHFFFAOYSA-N 1 0 363.889 2.547 20 70 FFIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(I)cc1 ZINC000159564217 508858833 /nfs/dbraw/zinc/85/88/33/508858833.db2.gz ZMGWTHOJPDDDHK-GFCCVEGCSA-N 1 0 372.250 2.954 20 70 FFIDRO CC[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000159576189 508860381 /nfs/dbraw/zinc/86/03/81/508860381.db2.gz UEFWHRLWHQQNJU-OAHLLOKOSA-N 1 0 351.878 2.987 20 70 FFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000159576621 508861690 /nfs/dbraw/zinc/86/16/90/508861690.db2.gz SAMZAXCGOWTYFN-GHMZBOCLSA-N 1 0 354.376 2.678 20 70 FFIDRO COc1ccc2cc(CN(C)C(=O)C[N@H+](C)C[C@@H]3CCC[C@@H]3O)ccc2c1 ZINC000159628930 508867695 /nfs/dbraw/zinc/86/76/95/508867695.db2.gz PAIIPXAGBYLUJE-FPOVZHCZSA-N 1 0 370.493 2.900 20 70 FFIDRO C[C@@H](Oc1ccccc1Br)C(=O)NCC1([NH3+])CCCCC1 ZINC000159637467 508869687 /nfs/dbraw/zinc/86/96/87/508869687.db2.gz SABQSNKPAYTVRC-GFCCVEGCSA-N 1 0 355.276 2.994 20 70 FFIDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@H]1CCN(C2CC2)C1=O ZINC000159646980 508871396 /nfs/dbraw/zinc/87/13/96/508871396.db2.gz PFEYGKDGMVZCND-INIZCTEOSA-N 1 0 367.287 2.913 20 70 FFIDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC1CCOCC1 ZINC000159660288 508872695 /nfs/dbraw/zinc/87/26/95/508872695.db2.gz ZKXLRHWFCITNTO-PXNSSMCTSA-N 1 0 359.514 2.965 20 70 FFIDRO COc1cccc(-c2nc(C)c(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)[nH]2)c1 ZINC000159723144 508880626 /nfs/dbraw/zinc/88/06/26/508880626.db2.gz VFUCQWMSHPGBOA-AEFFLSMTSA-N 1 0 368.481 2.950 20 70 FFIDRO Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(Br)n1 ZINC000159727636 508881582 /nfs/dbraw/zinc/88/15/82/508881582.db2.gz QAYANFLBIAFAQW-TZMCWYRMSA-N 1 0 352.276 2.709 20 70 FFIDRO C[NH+](C)CCN(C(=O)NCCc1cnn(-c2ccccc2)c1)C1CCCC1 ZINC000159747669 508884080 /nfs/dbraw/zinc/88/40/80/508884080.db2.gz GHTRPJXJXJSJST-UHFFFAOYSA-N 1 0 369.513 2.931 20 70 FFIDRO CCCC[C@@H](CC)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159759384 508886480 /nfs/dbraw/zinc/88/64/80/508886480.db2.gz QNCOQAFUGBTTSJ-QGZVFWFLSA-N 1 0 354.516 2.766 20 70 FFIDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc2c1oc(=O)n2C ZINC000159772075 508888847 /nfs/dbraw/zinc/88/88/47/508888847.db2.gz AOTNWBWTAYZPFL-UHFFFAOYSA-N 1 0 367.449 2.902 20 70 FFIDRO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159775720 508889461 /nfs/dbraw/zinc/88/94/61/508889461.db2.gz NNGHRYYPICFRPJ-CQSZACIVSA-N 1 0 355.438 2.940 20 70 FFIDRO Cc1ccc(I)cc1C(=O)NCC[NH2+]C(C)(C)C ZINC000159806779 508894019 /nfs/dbraw/zinc/89/40/19/508894019.db2.gz DNXAJBNPWQBUDA-UHFFFAOYSA-N 1 0 360.239 2.718 20 70 FFIDRO Cc1cc(C(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)oc1C ZINC000159821393 508896147 /nfs/dbraw/zinc/89/61/47/508896147.db2.gz CJEAFNIESFGIBJ-MRXNPFEDSA-N 1 0 355.438 2.846 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21)C1CCCCC1 ZINC000159831045 508897663 /nfs/dbraw/zinc/89/76/63/508897663.db2.gz XXBRADOQLRBGMV-GOSISDBHSA-N 1 0 359.445 2.908 20 70 FFIDRO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159850936 508900079 /nfs/dbraw/zinc/90/00/79/508900079.db2.gz LNSHKTVIPWKZJE-GJZGRUSLSA-N 1 0 358.486 2.818 20 70 FFIDRO CCC(C)(C)c1ccc(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000159846805 508900191 /nfs/dbraw/zinc/90/01/91/508900191.db2.gz WPGBRJBPCHQJKX-KRWDZBQOSA-N 1 0 360.546 2.809 20 70 FFIDRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159855559 508900832 /nfs/dbraw/zinc/90/08/32/508900832.db2.gz HOLXNUUURBQOQZ-HUUCEWRRSA-N 1 0 367.457 2.723 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000159859601 508901895 /nfs/dbraw/zinc/90/18/95/508901895.db2.gz CHQURJWJMAMMGT-CQSZACIVSA-N 1 0 364.467 2.565 20 70 FFIDRO COC(=O)[C@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccnc1 ZINC000159904358 508909099 /nfs/dbraw/zinc/90/90/99/508909099.db2.gz YDPHBLSERBKRKO-HNAYVOBHSA-N 1 0 354.454 2.506 20 70 FFIDRO CCCOc1ccc(Cl)cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159902910 508909345 /nfs/dbraw/zinc/90/93/45/508909345.db2.gz GYYNENIGHXTIKX-OAHLLOKOSA-N 1 0 354.878 2.705 20 70 FFIDRO CC[C@H](C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)[NH+](C)C ZINC000159982729 508920529 /nfs/dbraw/zinc/92/05/29/508920529.db2.gz RKVMEPMPESFNIZ-GOEBONIOSA-N 1 0 360.433 2.922 20 70 FFIDRO C[C@H](CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)[NH+]1CCC(C)CC1 ZINC000159994652 508922502 /nfs/dbraw/zinc/92/25/02/508922502.db2.gz RESDELIKPAVMJD-OAHLLOKOSA-N 1 0 360.502 2.691 20 70 FFIDRO CC(C)[C@H](CNC(=O)[C@H](C)Oc1cccc(CO)c1)[NH+]1CCC(C)CC1 ZINC000160007889 508924206 /nfs/dbraw/zinc/92/42/06/508924206.db2.gz BULIPTNHGJNSMI-PXNSSMCTSA-N 1 0 362.514 2.819 20 70 FFIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000160005708 508924304 /nfs/dbraw/zinc/92/43/04/508924304.db2.gz KHKCYNWUTUTWQZ-TVRKMHQQSA-N 1 0 360.498 2.669 20 70 FFIDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000160004176 508924473 /nfs/dbraw/zinc/92/44/73/508924473.db2.gz KRPMMCDGAPLVCU-CQSZACIVSA-N 1 0 366.893 2.990 20 70 FFIDRO Cc1c(/C=C/C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cnn1C ZINC000160020621 508926767 /nfs/dbraw/zinc/92/67/67/508926767.db2.gz ABEATYYGTUYCHH-CMDGGOBGSA-N 1 0 352.482 2.831 20 70 FFIDRO C[NH+](C)CCN(C(=O)CCN1c2ccccc2CCC1=O)C1CCCC1 ZINC000160058247 508931277 /nfs/dbraw/zinc/93/12/77/508931277.db2.gz UOFNOKKRGXMMDU-UHFFFAOYSA-N 1 0 357.498 2.689 20 70 FFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160077424 508935082 /nfs/dbraw/zinc/93/50/82/508935082.db2.gz SAAXTBVXEIDWAH-INIZCTEOSA-N 1 0 366.465 2.678 20 70 FFIDRO O=S(=O)(c1ccccc1OC(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160104921 508939044 /nfs/dbraw/zinc/93/90/44/508939044.db2.gz TVBIXBOYIFXXLD-AWEZNQCLSA-N 1 0 374.453 2.927 20 70 FFIDRO O=S(=O)(c1cc(F)c(F)cc1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160152657 508946234 /nfs/dbraw/zinc/94/62/34/508946234.db2.gz FVFGGNAVPRQLDZ-LBPRGKRZSA-N 1 0 362.417 2.743 20 70 FFIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000160153577 508946811 /nfs/dbraw/zinc/94/68/11/508946811.db2.gz YGZUCDWTQJXZII-CABCVRRESA-N 1 0 371.447 2.636 20 70 FFIDRO CCNC(=O)c1cccc(CN[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)c1 ZINC000160174634 508949979 /nfs/dbraw/zinc/94/99/79/508949979.db2.gz ZIBYIRKXZYQIBI-PXNSSMCTSA-N 1 0 361.530 2.663 20 70 FFIDRO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000160224699 508956983 /nfs/dbraw/zinc/95/69/83/508956983.db2.gz IJTVJKMTCAUWBL-FXAWDEMLSA-N 1 0 370.449 2.753 20 70 FFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1nnn(-c3cccc(Cl)c3)c1C)CC2 ZINC000160308152 508968656 /nfs/dbraw/zinc/96/86/56/508968656.db2.gz XSXNTKBEMGKDDN-XHDPSFHLSA-N 1 0 371.876 2.795 20 70 FFIDRO CN(C[C@H]1CCC[C@@H]1O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000160326263 508971106 /nfs/dbraw/zinc/97/11/06/508971106.db2.gz DIWBNCPEBLSOIN-JZXOWHBKSA-N 1 0 365.543 2.763 20 70 FFIDRO C[C@H](CCOc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160335930 508972593 /nfs/dbraw/zinc/97/25/93/508972593.db2.gz NQLWSDFKQBPJNO-UIFIKXQLSA-N 1 0 374.525 2.976 20 70 FFIDRO Cc1cc(C)cc(OCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160349577 508974357 /nfs/dbraw/zinc/97/43/57/508974357.db2.gz WCOJYSVBRDAXML-SFTDATJTSA-N 1 0 374.525 2.956 20 70 FFIDRO Cc1ccc(C(=O)N[C@H](CC(=O)N2CCC[C@@H]2C[NH3+])c2ccccc2)cc1 ZINC000160358766 508975833 /nfs/dbraw/zinc/97/58/33/508975833.db2.gz HYGHAZYQJJGROG-WOJBJXKFSA-N 1 0 365.477 2.806 20 70 FFIDRO CCc1ccc([C@H](CNC(=O)c2cccc(-n3ccnn3)c2)[NH+](C)C)cc1 ZINC000160376282 508978840 /nfs/dbraw/zinc/97/88/40/508978840.db2.gz HHGWHCYSKDJNDL-FQEVSTJZSA-N 1 0 363.465 2.862 20 70 FFIDRO O=C(CCC(=O)NC1CCCC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000160383760 508979225 /nfs/dbraw/zinc/97/92/25/508979225.db2.gz CWWQQANLSSEIIF-IBGZPJMESA-N 1 0 357.498 2.779 20 70 FFIDRO O=C(Cn1ccc2ccccc21)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160404186 508981748 /nfs/dbraw/zinc/98/17/48/508981748.db2.gz HEBKCSXOICMGIA-UXHICEINSA-N 1 0 355.482 2.525 20 70 FFIDRO C[NH+](C)CCCC1CCN(C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000160453341 508989186 /nfs/dbraw/zinc/98/91/86/508989186.db2.gz ZHLQAJWZKJZQJL-UHFFFAOYSA-N 1 0 361.534 2.525 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2cc(OC)ccc2OCc2ccccn2)C1 ZINC000160487934 508993985 /nfs/dbraw/zinc/99/39/85/508993985.db2.gz ILGZHDRXXGLPIG-NADMHLTPSA-N 1 0 367.449 2.503 20 70 FFIDRO CCC(=O)Nc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160494354 508995108 /nfs/dbraw/zinc/99/51/08/508995108.db2.gz JKKNWCOBRDJKIX-RTBURBONSA-N 1 0 373.497 2.533 20 70 FFIDRO Cc1cc2ccccc2n1CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160532106 508999514 /nfs/dbraw/zinc/99/95/14/508999514.db2.gz MAZGVRTTYUAZRQ-SFTDATJTSA-N 1 0 369.509 2.834 20 70 FFIDRO O=C(C[NH2+][C@@H]1CCc2cc(Br)ccc21)NCC(F)(F)F ZINC000160531775 508999769 /nfs/dbraw/zinc/99/97/69/508999769.db2.gz CSXIJIKMRYSWTI-LLVKDONJSA-N 1 0 351.166 2.705 20 70 FFIDRO O=C(CCCc1cccs1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160566339 509004203 /nfs/dbraw/zinc/00/42/03/509004203.db2.gz QBCMTHWHZHOGDY-ZWKOTPCHSA-N 1 0 350.528 2.955 20 70 FFIDRO CC[C@](C)(O)C[NH+]1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000160580452 509006071 /nfs/dbraw/zinc/00/60/71/509006071.db2.gz FGJHEJDNTLYBOR-UZLBHIALSA-N 1 0 358.486 2.885 20 70 FFIDRO Cc1nc(-c2cccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)c2)cs1 ZINC000160587449 509006737 /nfs/dbraw/zinc/00/67/37/509006737.db2.gz KGQRMJNXEKZEFC-QGZVFWFLSA-N 1 0 359.495 2.695 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN3CCC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000160601807 509008413 /nfs/dbraw/zinc/00/84/13/509008413.db2.gz FXGSIAIPZDJABX-MRXNPFEDSA-N 1 0 369.465 2.697 20 70 FFIDRO COc1ccccc1/C=C/C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160603416 509009152 /nfs/dbraw/zinc/00/91/52/509009152.db2.gz DTKDLHWZPWOZKR-ONNQBUSKSA-N 1 0 358.482 2.593 20 70 FFIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000160614291 509010139 /nfs/dbraw/zinc/01/01/39/509010139.db2.gz PTUMNFLNNHMKGH-ZDUSSCGKSA-N 1 0 359.396 2.831 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc2ncccc21 ZINC000160648747 509013901 /nfs/dbraw/zinc/01/39/01/509013901.db2.gz FNMPIRKZDXHVEN-WOJBJXKFSA-N 1 0 353.466 2.733 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1occc1Br ZINC000160656597 509015052 /nfs/dbraw/zinc/01/50/52/509015052.db2.gz BJFMOHHVEFOFMP-ZIAGYGMSSA-N 1 0 371.275 2.540 20 70 FFIDRO O=C(CCC(=O)c1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160658598 509015758 /nfs/dbraw/zinc/01/57/58/509015758.db2.gz FSOJCRYRXVYEMA-UYAOXDASSA-N 1 0 358.482 2.534 20 70 FFIDRO COc1cc(CN(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)c(SC)cc1OC ZINC000160674726 509018234 /nfs/dbraw/zinc/01/82/34/509018234.db2.gz PBQQEUBHBHRIGC-GXTWGEPZSA-N 1 0 352.500 2.902 20 70 FFIDRO Cc1ccc(NC(=O)N[C@@H](CO)Cc2ccccc2)c(OCC[NH+](C)C)c1 ZINC000160679423 509018331 /nfs/dbraw/zinc/01/83/31/509018331.db2.gz YRLWLVNRAMQOFE-GOSISDBHSA-N 1 0 371.481 2.661 20 70 FFIDRO O=C(CCc1cccc(OC2CCCC2)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160686479 509020492 /nfs/dbraw/zinc/02/04/92/509020492.db2.gz XGGKHFGYELAAMT-IBGZPJMESA-N 1 0 374.525 2.904 20 70 FFIDRO CC[C@@H](O)CCNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000160700943 509022517 /nfs/dbraw/zinc/02/25/17/509022517.db2.gz ODYIEXWLBXMLFJ-MJGOQNOKSA-N 1 0 363.502 2.682 20 70 FFIDRO Cn1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000160713775 509023532 /nfs/dbraw/zinc/02/35/32/509023532.db2.gz BFUWVWZLQRRMAP-QZTJIDSGSA-N 1 0 363.461 2.544 20 70 FFIDRO Cc1ccc2c(c1)[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)CO2 ZINC000160732850 509025992 /nfs/dbraw/zinc/02/59/92/509025992.db2.gz MNRYHDGSUOFZGZ-MJGOQNOKSA-N 1 0 353.466 2.901 20 70 FFIDRO Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000160745755 509027593 /nfs/dbraw/zinc/02/75/93/509027593.db2.gz NPKBAJSLYVUJGL-OAHLLOKOSA-N 1 0 371.506 2.636 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Br)o1 ZINC000160754889 509028857 /nfs/dbraw/zinc/02/88/57/509028857.db2.gz AKIFHEOMRXXRBM-QWHCGFSZSA-N 1 0 371.275 2.540 20 70 FFIDRO O=C(CNC1CC[NH+](CC2CC2)CC1)Nc1ccc(Br)cc1 ZINC000160778545 509031914 /nfs/dbraw/zinc/03/19/14/509031914.db2.gz MZCGEHWQJUMRKH-UHFFFAOYSA-N 1 0 366.303 2.852 20 70 FFIDRO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160809921 509035676 /nfs/dbraw/zinc/03/56/76/509035676.db2.gz NNEWTFAPBPFEII-AEFFLSMTSA-N 1 0 359.518 2.900 20 70 FFIDRO COC(=O)c1[nH]c(C)c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1C ZINC000160885833 509043588 /nfs/dbraw/zinc/04/35/88/509043588.db2.gz DMWNWROLPSLLFE-UHFFFAOYSA-N 1 0 361.417 2.549 20 70 FFIDRO CCC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000160887250 509044541 /nfs/dbraw/zinc/04/45/41/509044541.db2.gz IETJHGGQUAVOJP-WCQYABFASA-N 1 0 363.239 2.809 20 70 FFIDRO CCCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160984628 509056734 /nfs/dbraw/zinc/05/67/34/509056734.db2.gz QBBBAQZUKHGQBH-OAHLLOKOSA-N 1 0 353.466 2.705 20 70 FFIDRO CC(C)[C@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC000161008107 509059407 /nfs/dbraw/zinc/05/94/07/509059407.db2.gz POTZMZHRCQGDEJ-SFHVURJKSA-N 1 0 360.479 2.723 20 70 FFIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCNC(=O)C1CCCCC1 ZINC000161012215 509060210 /nfs/dbraw/zinc/06/02/10/509060210.db2.gz LLHAZVRKPMRHIB-IXDOHACOSA-N 1 0 351.535 2.556 20 70 FFIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(Cl)s1 ZINC000161027285 509061369 /nfs/dbraw/zinc/06/13/69/509061369.db2.gz HRMHXUFMIXZTOH-CYBMUJFWSA-N 1 0 365.886 2.858 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)CC1 ZINC000161053783 509065126 /nfs/dbraw/zinc/06/51/26/509065126.db2.gz YFFNBTXTNOZVQB-UHFFFAOYSA-N 1 0 373.476 2.992 20 70 FFIDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccccc1SC(C)C ZINC000161062999 509066527 /nfs/dbraw/zinc/06/65/27/509066527.db2.gz IMRGRJSBQKNPEH-UHFFFAOYSA-N 1 0 351.516 2.974 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)CC1 ZINC000161100004 509071528 /nfs/dbraw/zinc/07/15/28/509071528.db2.gz RLTGRFWALFBVQQ-GOSISDBHSA-N 1 0 365.905 2.755 20 70 FFIDRO COC(=O)c1csc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000161105171 509072194 /nfs/dbraw/zinc/07/21/94/509072194.db2.gz IBCCWTLAKPJTOU-OAHLLOKOSA-N 1 0 361.467 2.829 20 70 FFIDRO Cc1ccc(NC(=O)[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccccc2)cc1 ZINC000161206280 509085789 /nfs/dbraw/zinc/08/57/89/509085789.db2.gz HSZIWHOSTDUGBS-ICSRJNTNSA-N 1 0 351.450 2.885 20 70 FFIDRO CCN(CCOc1ccc(Br)cc1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161227594 509089020 /nfs/dbraw/zinc/08/90/20/509089020.db2.gz RPMGDCQIRXSVTE-CQSZACIVSA-N 1 0 355.276 2.819 20 70 FFIDRO CC(=O)NC1CCC([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000161244058 509091416 /nfs/dbraw/zinc/09/14/16/509091416.db2.gz XMZVKIIHKJIHPV-UHFFFAOYSA-N 1 0 352.862 2.691 20 70 FFIDRO CC(C)[NH2+]CCC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000161264789 509094003 /nfs/dbraw/zinc/09/40/03/509094003.db2.gz KQYCFCNDFXGNLK-HXUWFJFHSA-N 1 0 374.506 2.684 20 70 FFIDRO Cc1ccc(I)c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161275723 509095572 /nfs/dbraw/zinc/09/55/72/509095572.db2.gz LQFXWWYJOBGXMM-QWRGUYRKSA-N 1 0 358.223 2.599 20 70 FFIDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000161306336 509099954 /nfs/dbraw/zinc/09/99/54/509099954.db2.gz ARUXPHZBPSIKTI-GFCCVEGCSA-N 1 0 366.893 2.942 20 70 FFIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000161302350 509100156 /nfs/dbraw/zinc/10/01/56/509100156.db2.gz MYRXWQNCDNOENR-BBRMVZONSA-N 1 0 369.303 2.780 20 70 FFIDRO CCC[NH+](CCC)CCCNC(=O)c1cnn(C2CCOCC2)c1C ZINC000161326121 509102153 /nfs/dbraw/zinc/10/21/53/509102153.db2.gz YFQPCMRXUNKKTC-UHFFFAOYSA-N 1 0 350.507 2.785 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000161328188 509102774 /nfs/dbraw/zinc/10/27/74/509102774.db2.gz WNFBLRJOOTZQRN-GFCCVEGCSA-N 1 0 350.513 2.611 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H](CO)CC(C)(C)C)CC1 ZINC000161339833 509103686 /nfs/dbraw/zinc/10/36/86/509103686.db2.gz AKWLEIQOGASXFK-YJBOKZPZSA-N 1 0 362.518 2.703 20 70 FFIDRO C[C@@]1(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)CCC[NH2+]C1 ZINC000161345826 509104423 /nfs/dbraw/zinc/10/44/23/509104423.db2.gz ASGMJLYCJNDIIL-LJQANCHMSA-N 1 0 373.478 2.816 20 70 FFIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C[C@@H](C)C3CC[NH2+]CC3)ccc2NC1=O ZINC000161379940 509109114 /nfs/dbraw/zinc/10/91/14/509109114.db2.gz MGPNWRWPBKRSFB-LBTNJELSSA-N 1 0 373.497 2.999 20 70 FFIDRO O=C(CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1)N1CCc2ccccc21 ZINC000161461384 509118099 /nfs/dbraw/zinc/11/80/99/509118099.db2.gz SPDXTVPNWJYXDB-KRWDZBQOSA-N 1 0 356.388 2.601 20 70 FFIDRO COC(=O)c1ccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)nc1 ZINC000161480116 509120416 /nfs/dbraw/zinc/12/04/16/509120416.db2.gz FPMRDUQSSNCNGC-UHFFFAOYSA-N 1 0 359.470 2.641 20 70 FFIDRO COc1ccc2cccc(CC(=O)NC[C@@H](O)C[NH+]3CCC(C)CC3)c2c1 ZINC000159378877 508833484 /nfs/dbraw/zinc/83/34/84/508833484.db2.gz HWSWKXFOPRYSDR-LJQANCHMSA-N 1 0 370.493 2.600 20 70 FFIDRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C[C@H](C)O1 ZINC000159420782 508840038 /nfs/dbraw/zinc/84/00/38/508840038.db2.gz QWJQSUYVTDVQDJ-IARIHHJXSA-N 1 0 352.425 2.684 20 70 FFIDRO CCc1ccc(-n2nc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c3c2CCC3)cc1 ZINC000159435678 508841511 /nfs/dbraw/zinc/84/15/11/508841511.db2.gz MAXKXMOOUUJYGQ-CALCHBBNSA-N 1 0 364.493 2.890 20 70 FFIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000159455863 508844447 /nfs/dbraw/zinc/84/44/47/508844447.db2.gz YTJODKICTFAPMM-MAZHCROVSA-N 1 0 356.388 2.904 20 70 FFIDRO CCc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[nH]c(C)c1C(N)=O ZINC000159460068 508845051 /nfs/dbraw/zinc/84/50/51/508845051.db2.gz NMNFSTVAJZHIAW-OAHLLOKOSA-N 1 0 372.469 2.534 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000159479010 508847687 /nfs/dbraw/zinc/84/76/87/508847687.db2.gz BBGSMAVDBDBHMS-LBPRGKRZSA-N 1 0 355.841 2.512 20 70 FFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000159542918 508856151 /nfs/dbraw/zinc/85/61/51/508856151.db2.gz NHCLIZPPFSBGMU-OCCSQVGLSA-N 1 0 366.387 2.977 20 70 FFIDRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(C)(C)c2cccc(Cl)c2)CC1 ZINC000159547605 508857122 /nfs/dbraw/zinc/85/71/22/508857122.db2.gz VNMSJNIFCJSALV-KRWDZBQOSA-N 1 0 352.906 2.827 20 70 FFIDRO C[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C[C@H]1CCC[C@@H]1O ZINC000159554314 508857870 /nfs/dbraw/zinc/85/78/70/508857870.db2.gz LNNKDIRUNUKOQG-DOMZBBRYSA-N 1 0 362.367 2.554 20 70 FFIDRO C[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)C[C@@H]1CCC[C@@H]1O ZINC000159568839 508860022 /nfs/dbraw/zinc/86/00/22/508860022.db2.gz HZCVMKNWGDVXIA-ICSRJNTNSA-N 1 0 356.466 2.901 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)C1(NC(=O)OC(C)(C)C)CC1)c1cccc(F)c1 ZINC000159640641 508869565 /nfs/dbraw/zinc/86/95/65/508869565.db2.gz OBTNAYXHGZQADQ-OAHLLOKOSA-N 1 0 365.449 2.602 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC1CCOCC1 ZINC000159660147 508872499 /nfs/dbraw/zinc/87/24/99/508872499.db2.gz ZKXLRHWFCITNTO-XLIONFOSSA-N 1 0 359.514 2.965 20 70 FFIDRO CC[NH+]1CCC(CCNC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000159696785 508876514 /nfs/dbraw/zinc/87/65/14/508876514.db2.gz YIMMRCPFAZBSCK-ZDUSSCGKSA-N 1 0 372.435 2.772 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000159695255 508876543 /nfs/dbraw/zinc/87/65/43/508876543.db2.gz MBXOYVXTJPAKRQ-UHFFFAOYSA-N 1 0 359.392 2.821 20 70 FFIDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000159870120 508903099 /nfs/dbraw/zinc/90/30/99/508903099.db2.gz RXAMYSZGCIHBHW-GHTZIAJQSA-N 1 0 369.465 2.925 20 70 FFIDRO CCC(CC)(CNC(=O)N[C@@H]1CCC(=O)N(C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000159879933 508905266 /nfs/dbraw/zinc/90/52/66/508905266.db2.gz SCYFZYXYQOWFMJ-SJLPKXTDSA-N 1 0 374.529 2.816 20 70 FFIDRO COc1ccccc1CNC(=O)[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159880527 508905604 /nfs/dbraw/zinc/90/56/04/508905604.db2.gz RYKAWXXNBLOCDO-INIZCTEOSA-N 1 0 355.482 2.898 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000159906398 508909160 /nfs/dbraw/zinc/90/91/60/508909160.db2.gz PAHWYVOJWVWSSY-JKSUJKDBSA-N 1 0 353.507 2.670 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)c1ccc(-n2ccnn2)cc1 ZINC000159905889 508909223 /nfs/dbraw/zinc/90/92/23/508909223.db2.gz RQEUSLJCNZOXRI-CABCVRRESA-N 1 0 367.428 2.762 20 70 FFIDRO CC[C@H]1CN(CCc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000159916696 508911080 /nfs/dbraw/zinc/91/10/80/508911080.db2.gz KCDWMFTVHDIRGE-ZBFHGGJFSA-N 1 0 360.420 2.905 20 70 FFIDRO Cc1[nH]nc(C(C)C)c1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000159917351 508911226 /nfs/dbraw/zinc/91/12/26/508911226.db2.gz MDOATQIMHKKGKQ-UHFFFAOYSA-N 1 0 369.513 2.784 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1ccc(-n2ccnn2)cc1 ZINC000159923758 508912064 /nfs/dbraw/zinc/91/20/64/508912064.db2.gz AEXYIAHJXVBDHL-KGLIPLIRSA-N 1 0 355.467 2.684 20 70 FFIDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000159930595 508913444 /nfs/dbraw/zinc/91/34/44/508913444.db2.gz PWQDMWAXLLXMQC-HUUCEWRRSA-N 1 0 365.437 2.954 20 70 FFIDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CC1 ZINC000159934954 508913517 /nfs/dbraw/zinc/91/35/17/508913517.db2.gz VWRZELWIXLZBMI-UHFFFAOYSA-N 1 0 360.502 2.691 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000159930623 508913674 /nfs/dbraw/zinc/91/36/74/508913674.db2.gz AIVRZDMEGLWLMW-CYBMUJFWSA-N 1 0 361.421 2.674 20 70 FFIDRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159949351 508915869 /nfs/dbraw/zinc/91/58/69/508915869.db2.gz BFXKQCRUJXRPHY-LSDHHAIUSA-N 1 0 365.437 2.954 20 70 FFIDRO CC(C)(CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)[NH+]1CCCCC1 ZINC000159976307 508919870 /nfs/dbraw/zinc/91/98/70/508919870.db2.gz DFPODUMNSCTZNW-UHFFFAOYSA-N 1 0 360.502 2.836 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000159986293 508921025 /nfs/dbraw/zinc/92/10/25/508921025.db2.gz YSVBIRWVCDAXAK-RLLQIKCJSA-N 1 0 367.497 2.578 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Oc2nccs2)c1 ZINC000160008573 508925217 /nfs/dbraw/zinc/92/52/17/508925217.db2.gz PXHPVSGLLHNNJE-HNNXBMFYSA-N 1 0 361.467 2.512 20 70 FFIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160022144 508926613 /nfs/dbraw/zinc/92/66/13/508926613.db2.gz RDRSMIVFJHYRDM-UVTDQMKNSA-N 1 0 371.868 2.748 20 70 FFIDRO Cc1cc(C[C@H](C)NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)[nH]n1 ZINC000160067596 508933388 /nfs/dbraw/zinc/93/33/88/508933388.db2.gz FJHBDIIPVPWTLV-HNNXBMFYSA-N 1 0 357.502 2.859 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(-c2cccc(Cl)c2)on1 ZINC000160120167 508941119 /nfs/dbraw/zinc/94/11/19/508941119.db2.gz WRUGOSUFFOVCCX-OAHLLOKOSA-N 1 0 363.845 2.572 20 70 FFIDRO O=C(Cc1cc(F)c(F)cc1F)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160153157 508946713 /nfs/dbraw/zinc/94/67/13/508946713.db2.gz TUFWQWYUSAUEPX-ZWKOTPCHSA-N 1 0 370.415 2.531 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000160171842 508949084 /nfs/dbraw/zinc/94/90/84/508949084.db2.gz ZDALFWRAMSVYCQ-IRXDYDNUSA-N 1 0 354.853 2.977 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000160172892 508949203 /nfs/dbraw/zinc/94/92/03/508949203.db2.gz BFZKYBVMYNPDNT-OAGGEKHMSA-N 1 0 360.502 2.862 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCc2n[nH]cc2C1)c1ccsc1 ZINC000160214071 508955277 /nfs/dbraw/zinc/95/52/77/508955277.db2.gz NTGMSXZQYFNTAJ-WBVHZDCISA-N 1 0 361.515 2.711 20 70 FFIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000160266631 508962406 /nfs/dbraw/zinc/96/24/06/508962406.db2.gz YXCLVRNBTUZEGL-IRXDYDNUSA-N 1 0 366.452 2.885 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(F)c(F)c(F)c1 ZINC000160299024 508966268 /nfs/dbraw/zinc/96/62/68/508966268.db2.gz PEMRWBUHBPFRNZ-HZPDHXFCSA-N 1 0 356.388 2.602 20 70 FFIDRO O[C@@H](COCc1ccccc1F)C[NH+]1CCN(c2cccs2)CC1 ZINC000160323897 508970985 /nfs/dbraw/zinc/97/09/85/508970985.db2.gz AYRNYOYNCVOVRC-MRXNPFEDSA-N 1 0 350.459 2.587 20 70 FFIDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cnc2c(c1)ncn2C ZINC000160343987 508973458 /nfs/dbraw/zinc/97/34/58/508973458.db2.gz AHLXTBSYZUNRLB-UHFFFAOYSA-N 1 0 351.454 2.692 20 70 FFIDRO CCCNC(=O)c1cccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000160357853 508975162 /nfs/dbraw/zinc/97/51/62/508975162.db2.gz DTHRJWABDCFXJG-UHFFFAOYSA-N 1 0 353.466 2.818 20 70 FFIDRO CCOCCC[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000160360268 508975947 /nfs/dbraw/zinc/97/59/47/508975947.db2.gz WQODRKXSOWBMJG-CQSZACIVSA-N 1 0 360.454 2.727 20 70 FFIDRO Cc1nc(-c2ccsc2)ccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160364680 508976913 /nfs/dbraw/zinc/97/69/13/508976913.db2.gz UUTLTZCCCASZOM-MRXNPFEDSA-N 1 0 359.495 2.695 20 70 FFIDRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC000160394572 508981140 /nfs/dbraw/zinc/98/11/40/508981140.db2.gz QNYXPLWCFLMBKS-UXHICEINSA-N 1 0 370.493 2.883 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000160452932 508989104 /nfs/dbraw/zinc/98/91/04/508989104.db2.gz YFYXYGPNRYHBEA-CYBMUJFWSA-N 1 0 372.435 2.951 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)C1 ZINC000160466091 508990502 /nfs/dbraw/zinc/99/05/02/508990502.db2.gz ZHOAKWDIHZFICQ-CYBMUJFWSA-N 1 0 358.442 2.968 20 70 FFIDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160463821 508990850 /nfs/dbraw/zinc/99/08/50/508990850.db2.gz KIUKOUHEIXYGQJ-VQIMIIECSA-N 1 0 361.486 2.843 20 70 FFIDRO C[C@@H](Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160495355 508994609 /nfs/dbraw/zinc/99/46/09/508994609.db2.gz PSOCZJQVSAKSPV-YSSFQJQWSA-N 1 0 362.489 2.888 20 70 FFIDRO Cc1cc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(-c2cccnc2)n1 ZINC000160496065 508994776 /nfs/dbraw/zinc/99/47/76/508994776.db2.gz XOTAGHRVOPGWEY-ZIFCJYIRSA-N 1 0 367.497 2.925 20 70 FFIDRO O=C(CCc1cc(F)ccc1F)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160544575 509000313 /nfs/dbraw/zinc/00/03/13/509000313.db2.gz QPGNQWXTDCMADZ-RBUKOAKNSA-N 1 0 366.452 2.782 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 ZINC000160549374 509001561 /nfs/dbraw/zinc/00/15/61/509001561.db2.gz XOGQYHGPLGHQLK-UHFFFAOYSA-N 1 0 367.493 2.510 20 70 FFIDRO O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000160613731 509010248 /nfs/dbraw/zinc/01/02/48/509010248.db2.gz BMXBUZDGLMCRRG-GOSISDBHSA-N 1 0 359.518 2.565 20 70 FFIDRO O=C(COc1ccccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160650365 509014375 /nfs/dbraw/zinc/01/43/75/509014375.db2.gz QXXKFJUONGVMGI-IAGOWNOFSA-N 1 0 366.889 2.603 20 70 FFIDRO COc1ccc(Cl)cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160651301 509014655 /nfs/dbraw/zinc/01/46/55/509014655.db2.gz PVDIDUHPMZENNN-IRXDYDNUSA-N 1 0 366.889 2.846 20 70 FFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000160655514 509015112 /nfs/dbraw/zinc/01/51/12/509015112.db2.gz MFFUVQDVXZCQDC-UXHICEINSA-N 1 0 357.498 2.862 20 70 FFIDRO CC[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1F ZINC000160654755 509015170 /nfs/dbraw/zinc/01/51/70/509015170.db2.gz KWNOVXXGTGJWDI-KRWDZBQOSA-N 1 0 354.422 2.896 20 70 FFIDRO Cc1cccc(-n2cc(C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)nn2)c1 ZINC000160662032 509015729 /nfs/dbraw/zinc/01/57/29/509015729.db2.gz IOQBXXIBGKRZNX-LJQANCHMSA-N 1 0 367.428 2.748 20 70 FFIDRO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160682765 509019467 /nfs/dbraw/zinc/01/94/67/509019467.db2.gz DEBNUYQQMHHCCK-WIYYLYMNSA-N 1 0 360.498 2.717 20 70 FFIDRO Cc1cccc(OCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1C ZINC000160710610 509023674 /nfs/dbraw/zinc/02/36/74/509023674.db2.gz RXDUPASUYDXWTP-UXHICEINSA-N 1 0 374.525 2.956 20 70 FFIDRO O=C1CCCN1C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000160715042 509024393 /nfs/dbraw/zinc/02/43/93/509024393.db2.gz LCSJMKZNZWXZKF-KRWDZBQOSA-N 1 0 351.441 2.669 20 70 FFIDRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1O ZINC000160772046 509031104 /nfs/dbraw/zinc/03/11/04/509031104.db2.gz ANWGXNBRJDCQFB-UHFFFAOYSA-N 1 0 370.449 2.804 20 70 FFIDRO Cc1c(NC(=O)N[C@H](C)CN2CCOCC2)cnn1-c1cc(C)ccc1C ZINC000160854769 509040275 /nfs/dbraw/zinc/04/02/75/509040275.db2.gz YEXKTFHRNLUWIK-MRXNPFEDSA-N 1 0 371.485 2.640 20 70 FFIDRO CC[NH+]1CCC(CCNC(=O)CCCOc2ccc3c(c2)OCO3)CC1 ZINC000160868290 509041563 /nfs/dbraw/zinc/04/15/63/509041563.db2.gz LBFBMDXKXAPILA-UHFFFAOYSA-N 1 0 362.470 2.813 20 70 FFIDRO CCC[C@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000160886982 509043916 /nfs/dbraw/zinc/04/39/16/509043916.db2.gz IETJHGGQUAVOJP-AAEUAGOBSA-N 1 0 363.239 2.809 20 70 FFIDRO CCC[N@H+](CC)CCNC(=O)Cc1cc(OC)ccc1Br ZINC000160900289 509045709 /nfs/dbraw/zinc/04/57/09/509045709.db2.gz UEDDWNNKNWLMKF-UHFFFAOYSA-N 1 0 357.292 2.848 20 70 FFIDRO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000160918917 509048280 /nfs/dbraw/zinc/04/82/80/509048280.db2.gz IJJWPVFTVRCDIX-SFHVURJKSA-N 1 0 367.449 2.706 20 70 FFIDRO CS(=O)(=O)Cc1ccccc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160945967 509051985 /nfs/dbraw/zinc/05/19/85/509051985.db2.gz HCVYUGVIUOHKSG-UHFFFAOYSA-N 1 0 358.507 2.990 20 70 FFIDRO COc1ccc(CNC(=O)C[NH2+][C@H]2CSCCc3ccccc32)cc1 ZINC000161005705 509059599 /nfs/dbraw/zinc/05/95/99/509059599.db2.gz VYYJBOHTYISPPB-IBGZPJMESA-N 1 0 356.491 2.932 20 70 FFIDRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000161066493 509066874 /nfs/dbraw/zinc/06/68/74/509066874.db2.gz SUVMHUVYDFXLPT-APWZRJJASA-N 1 0 359.514 2.905 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCC(=O)CCC(=O)c1ccc(C)s1 ZINC000161164310 509079746 /nfs/dbraw/zinc/07/97/46/509079746.db2.gz ZBMNOEYSIPDMPS-CQSZACIVSA-N 1 0 350.484 2.579 20 70 FFIDRO CC1CC[NH+](CC(=O)NC2(c3ccc(F)cc3F)CCOCC2)CC1 ZINC000161172774 509080826 /nfs/dbraw/zinc/08/08/26/509080826.db2.gz HNZATOQSXLQALB-UHFFFAOYSA-N 1 0 352.425 2.819 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NCc1ccccc1 ZINC000161193304 509083201 /nfs/dbraw/zinc/08/32/01/509083201.db2.gz BWGUAPFOIZMTEZ-JKSUJKDBSA-N 1 0 367.449 2.999 20 70 FFIDRO CC[NH+]1CCC(N(C)C(=O)CSc2n[nH]c(-c3ccc(C)cc3)n2)CC1 ZINC000161234821 509089569 /nfs/dbraw/zinc/08/95/69/509089569.db2.gz MAEQWPZBVGNRTQ-UHFFFAOYSA-N 1 0 373.526 2.815 20 70 FFIDRO Cc1cnccc1CCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000161261370 509093061 /nfs/dbraw/zinc/09/30/61/509093061.db2.gz IETWWMMJYWTJIF-HXUWFJFHSA-N 1 0 352.482 2.896 20 70 FFIDRO Cc1ccc2cc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)ccc2n1 ZINC000161260534 509093416 /nfs/dbraw/zinc/09/34/16/509093416.db2.gz JEMXAHONOKSSKP-UHFFFAOYSA-N 1 0 371.481 2.889 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000161277744 509095849 /nfs/dbraw/zinc/09/58/49/509095849.db2.gz XJSXXHQYORZSSO-QGZVFWFLSA-N 1 0 367.921 2.595 20 70 FFIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000161359658 509106903 /nfs/dbraw/zinc/10/69/03/509106903.db2.gz OIOBWSPGKZMYPA-UTKZUKDTSA-N 1 0 368.477 2.900 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000161359855 509107226 /nfs/dbraw/zinc/10/72/26/509107226.db2.gz JQVHILTZYJVGND-CQSZACIVSA-N 1 0 352.360 2.715 20 70 FFIDRO CNC(=O)c1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000161415426 509113311 /nfs/dbraw/zinc/11/33/11/509113311.db2.gz BQFBDUCOXHMVPI-KXBFYZLASA-N 1 0 366.465 2.688 20 70 FFIDRO O=C(NC1CC1)c1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000161434667 509115877 /nfs/dbraw/zinc/11/58/77/509115877.db2.gz FHATWDWXZZKBFZ-UHFFFAOYSA-N 1 0 369.509 2.917 20 70 FFIDRO COc1cc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)ccc1S(C)(=O)=O ZINC000161488508 509121318 /nfs/dbraw/zinc/12/13/18/509121318.db2.gz WKWXZEYPPLOKSQ-PBHICJAKSA-N 1 0 363.479 2.525 20 70 FFIDRO O=C(c1cccc(Nc2cnccn2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159399913 508836719 /nfs/dbraw/zinc/83/67/19/508836719.db2.gz LJZRMUFSVRYLAK-GOSISDBHSA-N 1 0 351.454 2.921 20 70 FFIDRO O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159450320 508843505 /nfs/dbraw/zinc/84/35/05/508843505.db2.gz BSJDOOJKLLVXIH-OLZOCXBDSA-N 1 0 370.419 2.620 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2OC(C)C)C1 ZINC000159459407 508845004 /nfs/dbraw/zinc/84/50/04/508845004.db2.gz MDIXJDBBOBLCEN-MRXNPFEDSA-N 1 0 361.486 2.506 20 70 FFIDRO CC[NH+](CC)CCCNC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000159468842 508846104 /nfs/dbraw/zinc/84/61/04/508846104.db2.gz UHPWDIDJYFDDOI-INIZCTEOSA-N 1 0 352.548 2.868 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(Nc3cnn(C)c3)c2)C1 ZINC000159567099 508859844 /nfs/dbraw/zinc/85/98/44/508859844.db2.gz FKBPFTVIFWVYNS-MRXNPFEDSA-N 1 0 355.486 2.871 20 70 FFIDRO CC(=O)Nc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)ccc1C ZINC000159580491 508861417 /nfs/dbraw/zinc/86/14/17/508861417.db2.gz SQYOJAOYTKTLLE-IBGZPJMESA-N 1 0 373.497 2.670 20 70 FFIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 ZINC000159577805 508861591 /nfs/dbraw/zinc/86/15/91/508861591.db2.gz RXRCPJVOBPBBQT-OAHLLOKOSA-N 1 0 357.376 2.878 20 70 FFIDRO O=C(c1cc(-c2cccs2)n[nH]1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159576528 508861612 /nfs/dbraw/zinc/86/16/12/508861612.db2.gz DSNUNMOTEMZIKS-OAHLLOKOSA-N 1 0 374.510 2.855 20 70 FFIDRO COc1ccc(OC(F)F)c(CNC(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000159586017 508862204 /nfs/dbraw/zinc/86/22/04/508862204.db2.gz DMFPNTLMCXLARU-UHFFFAOYSA-N 1 0 359.417 2.778 20 70 FFIDRO COc1ccc(-n2ccc(C(=O)NCC[NH2+]C3CCCCCC3)n2)cc1 ZINC000159697519 508877297 /nfs/dbraw/zinc/87/72/97/508877297.db2.gz OHKDRVDXHBUHRI-UHFFFAOYSA-N 1 0 356.470 2.923 20 70 FFIDRO CC(C)C[C@H](CCO)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159785188 508890287 /nfs/dbraw/zinc/89/02/87/508890287.db2.gz OALJKMPQHUISKQ-HOJAQTOUSA-N 1 0 361.530 2.851 20 70 FFIDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCOC2(CCCC2)C1 ZINC000159829669 508897770 /nfs/dbraw/zinc/89/77/70/508897770.db2.gz BHIMDVVNPBLBSO-UHFFFAOYSA-N 1 0 357.498 2.789 20 70 FFIDRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159855388 508900783 /nfs/dbraw/zinc/90/07/83/508900783.db2.gz HOLXNUUURBQOQZ-LSDHHAIUSA-N 1 0 367.457 2.723 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000159879083 508904970 /nfs/dbraw/zinc/90/49/70/508904970.db2.gz QRPDUJKYXPHYGF-MRXNPFEDSA-N 1 0 359.495 2.516 20 70 FFIDRO CCCOc1nc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc2ccccc21 ZINC000159932028 508913197 /nfs/dbraw/zinc/91/31/97/508913197.db2.gz GITLHZWSBZSWLL-QGZVFWFLSA-N 1 0 371.481 2.600 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000159929881 508913349 /nfs/dbraw/zinc/91/33/49/508913349.db2.gz VDUHASGXDIAAAH-AWEZNQCLSA-N 1 0 373.457 2.543 20 70 FFIDRO CC[C@H]1Oc2cc([C@H](C)NC(=O)N3CCC[N@H+](CC)CC3)ccc2NC1=O ZINC000159936184 508914372 /nfs/dbraw/zinc/91/43/72/508914372.db2.gz OHGMAMDSMCIWEW-WMLDXEAASA-N 1 0 374.485 2.594 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000160011960 508925037 /nfs/dbraw/zinc/92/50/37/508925037.db2.gz FIGKNPBNYKYMPZ-MRXNPFEDSA-N 1 0 371.456 2.828 20 70 FFIDRO CC(C)(C(N)=O)c1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000160034565 508928073 /nfs/dbraw/zinc/92/80/73/508928073.db2.gz BLIAXSLNBPUZKW-UHFFFAOYSA-N 1 0 358.486 2.542 20 70 FFIDRO C[C@H]1C[C@H](N(C)C(=O)NCCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000160044282 508929621 /nfs/dbraw/zinc/92/96/21/508929621.db2.gz KSPVNFNLPLCIRU-PKOBYXMFSA-N 1 0 355.486 2.578 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000160043295 508929860 /nfs/dbraw/zinc/92/98/60/508929860.db2.gz CTXHSXSWYAHXCJ-INIZCTEOSA-N 1 0 364.490 2.501 20 70 FFIDRO CCS(=O)(=O)c1cccc(CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000160080228 508935621 /nfs/dbraw/zinc/93/56/21/508935621.db2.gz MRMDLALDRUJJLR-QGZVFWFLSA-N 1 0 368.543 2.505 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCOc2ccc(F)cc2F)c1 ZINC000160083548 508936151 /nfs/dbraw/zinc/93/61/51/508936151.db2.gz LUKNJTMXSSGKOW-LBPRGKRZSA-N 1 0 370.421 2.603 20 70 FFIDRO CC[C@H](CNC(=O)c1cnc2c(c1)ncn2C)[N@@H+]1CCc2ccccc2C1 ZINC000160094690 508937473 /nfs/dbraw/zinc/93/74/73/508937473.db2.gz GXYFRCCXAUEKLX-GOSISDBHSA-N 1 0 363.465 2.535 20 70 FFIDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc(O)cc1 ZINC000160130639 508942858 /nfs/dbraw/zinc/94/28/58/508942858.db2.gz UVFCRMMZRGBJLX-UHFFFAOYSA-N 1 0 354.454 2.845 20 70 FFIDRO Cc1c(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cnn1C ZINC000160140594 508944433 /nfs/dbraw/zinc/94/44/33/508944433.db2.gz NVWRFXFDKMXPKZ-UHFFFAOYSA-N 1 0 355.486 2.501 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1F ZINC000160155791 508946938 /nfs/dbraw/zinc/94/69/38/508946938.db2.gz KYURZPVADDIWPG-IAGOWNOFSA-N 1 0 354.853 2.977 20 70 FFIDRO CCOc1ccc(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160166299 508948405 /nfs/dbraw/zinc/94/84/05/508948405.db2.gz SZEYFTBTIJQERY-RTWAWAEBSA-N 1 0 374.525 2.902 20 70 FFIDRO C[NH+]1CCC(Oc2ccc(NCc3ccc([S@@](C)=O)cc3)cn2)CC1 ZINC000160174281 508949926 /nfs/dbraw/zinc/94/99/26/508949926.db2.gz SEOAAOYIBMOCNT-VWLOTQADSA-N 1 0 359.495 2.904 20 70 FFIDRO COc1cccc(-c2nc(C)c(C(=O)N3CC[NH+](CC(C)C)CC3)[nH]2)c1 ZINC000160339926 508973488 /nfs/dbraw/zinc/97/34/88/508973488.db2.gz TUPGILMDCXHNCB-UHFFFAOYSA-N 1 0 356.470 2.808 20 70 FFIDRO CC(C)OCc1c2ccccc2oc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160357677 508974990 /nfs/dbraw/zinc/97/49/90/508974990.db2.gz XLNCGKCVOBOULU-INIZCTEOSA-N 1 0 374.481 2.934 20 70 FFIDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000160440923 508987536 /nfs/dbraw/zinc/98/75/36/508987536.db2.gz TYUHQJFLEYIJEJ-VBQJREDUSA-N 1 0 350.459 2.562 20 70 FFIDRO O=C(c1nc(C2CC2)n(-c2ccccc2Cl)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160477992 508992213 /nfs/dbraw/zinc/99/22/13/508992213.db2.gz RWIXQSATCZOUMG-OKILXGFUSA-N 1 0 371.872 2.765 20 70 FFIDRO COc1cccc(CCC[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)c1 ZINC000160506117 508996520 /nfs/dbraw/zinc/99/65/20/508996520.db2.gz XVTYWWDKWCMYID-UHFFFAOYSA-N 1 0 373.541 2.694 20 70 FFIDRO COc1cc(OC)c([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1Cl ZINC000160525029 508998888 /nfs/dbraw/zinc/99/88/88/508998888.db2.gz VHZYRJIUIBDENF-JQWIXIFHSA-N 1 0 350.850 2.923 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000160543034 509000618 /nfs/dbraw/zinc/00/06/18/509000618.db2.gz KNNSEONZCXCGTE-MOPGFXCFSA-N 1 0 359.514 2.678 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000160595071 509007380 /nfs/dbraw/zinc/00/73/80/509007380.db2.gz NGBLPQZYVKTIOF-TZIWHRDSSA-N 1 0 368.477 2.770 20 70 FFIDRO O=C(Cc1ccc(F)cc1Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160601005 509008208 /nfs/dbraw/zinc/00/82/08/509008208.db2.gz IFHJSQMXDQJYCF-ROUUACIJSA-N 1 0 368.880 2.906 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc2ncccc21 ZINC000160648628 509013695 /nfs/dbraw/zinc/01/36/95/509013695.db2.gz FNMPIRKZDXHVEN-PMACEKPBSA-N 1 0 353.466 2.733 20 70 FFIDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1 ZINC000160660685 509015860 /nfs/dbraw/zinc/01/58/60/509015860.db2.gz VKKIHOSQVPRIAI-OQUILHJVSA-N 1 0 365.499 2.540 20 70 FFIDRO CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160661271 509016126 /nfs/dbraw/zinc/01/61/26/509016126.db2.gz RHWBOSWTSIQBKX-ZIAGYGMSSA-N 1 0 353.488 2.684 20 70 FFIDRO Cc1nc(-c2cccs2)ccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160695019 509021853 /nfs/dbraw/zinc/02/18/53/509021853.db2.gz VDFASEMLHZFIAE-OAHLLOKOSA-N 1 0 359.495 2.695 20 70 FFIDRO Cc1cccc2[nH]cc(CC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)c21 ZINC000160703149 509022861 /nfs/dbraw/zinc/02/28/61/509022861.db2.gz IKJPIQYRTFQCPZ-UXHICEINSA-N 1 0 369.509 2.903 20 70 FFIDRO CC[N@H+](Cc1ccc(C(=O)Nc2cnc(OC)c(C(N)=O)c2)cc1)C(C)C ZINC000160742770 509027659 /nfs/dbraw/zinc/02/76/59/509027659.db2.gz XAACWUAJLHJAFI-UHFFFAOYSA-N 1 0 370.453 2.672 20 70 FFIDRO CCOCCC1(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCCC1 ZINC000160749363 509028288 /nfs/dbraw/zinc/02/82/88/509028288.db2.gz DDRQUKACKMSWSD-VQTJNVASSA-N 1 0 374.525 2.725 20 70 FFIDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cnn(C)c1 ZINC000160778226 509031762 /nfs/dbraw/zinc/03/17/62/509031762.db2.gz MIDDXWXPZWMNQW-CQSZACIVSA-N 1 0 351.248 2.862 20 70 FFIDRO COc1cc(N(C)C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000160855468 509040966 /nfs/dbraw/zinc/04/09/66/509040966.db2.gz HPSUYZARAOBEJJ-KGLIPLIRSA-N 1 0 350.459 2.701 20 70 FFIDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(NC(N)=O)cc1 ZINC000160895796 509045076 /nfs/dbraw/zinc/04/50/76/509045076.db2.gz XLLVATZFPQRNJN-CJNGLKHVSA-N 1 0 359.474 2.554 20 70 FFIDRO CN(C(=O)c1n[nH]c2c1CCC2)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160939648 509050920 /nfs/dbraw/zinc/05/09/20/509050920.db2.gz DHALLHSBBYUBOG-UHFFFAOYSA-N 1 0 354.454 2.650 20 70 FFIDRO Cc1nn(C)cc1C[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000160983291 509056373 /nfs/dbraw/zinc/05/63/73/509056373.db2.gz JBASUMHABSGMFW-UHFFFAOYSA-N 1 0 361.921 2.684 20 70 FFIDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(F)cc1F ZINC000161018280 509060846 /nfs/dbraw/zinc/06/08/46/509060846.db2.gz VRDRKKWXOOEZBD-UFBFGSQYSA-N 1 0 367.318 2.782 20 70 FFIDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000161021196 509060948 /nfs/dbraw/zinc/06/09/48/509060948.db2.gz VFQIUWBMZLVZML-OAHLLOKOSA-N 1 0 365.477 2.631 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000161036153 509062889 /nfs/dbraw/zinc/06/28/89/509062889.db2.gz VYTJKGRYDGPSAU-UHFFFAOYSA-N 1 0 372.513 2.779 20 70 FFIDRO COCCC1(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CCC1 ZINC000161092945 509070619 /nfs/dbraw/zinc/07/06/19/509070619.db2.gz CQCITZZKBVMKIC-QGZVFWFLSA-N 1 0 351.466 2.934 20 70 FFIDRO C[C@H](Oc1cccc(CO)c1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000161100353 509071449 /nfs/dbraw/zinc/07/14/49/509071449.db2.gz GVDWGSDODLKGMZ-KRWDZBQOSA-N 1 0 356.466 2.585 20 70 FFIDRO CCc1nn(C)cc1CNC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161103663 509072011 /nfs/dbraw/zinc/07/20/11/509072011.db2.gz LIBFPZLYMIADHW-LJQANCHMSA-N 1 0 369.513 2.789 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000161135993 509076111 /nfs/dbraw/zinc/07/61/11/509076111.db2.gz IDHSERNNTOBMCR-OAHLLOKOSA-N 1 0 363.889 2.541 20 70 FFIDRO COCC[NH+]1CCC(NC(=O)c2cccc(C)c2Br)CC1 ZINC000161182075 509082047 /nfs/dbraw/zinc/08/20/47/509082047.db2.gz WSBQHUHSSJBNQM-UHFFFAOYSA-N 1 0 355.276 2.598 20 70 FFIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2F)C[C@@H](C)O1 ZINC000161196606 509084327 /nfs/dbraw/zinc/08/43/27/509084327.db2.gz DKALNXGYSJFYRI-RKVPGOIHSA-N 1 0 366.452 2.998 20 70 FFIDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000161217733 509087393 /nfs/dbraw/zinc/08/73/93/509087393.db2.gz JYPJDVGEHBKUJR-QWHCGFSZSA-N 1 0 359.297 2.840 20 70 FFIDRO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161231837 509089838 /nfs/dbraw/zinc/08/98/38/509089838.db2.gz KYQYGINETDDKFJ-WBVHZDCISA-N 1 0 361.404 2.678 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOc2cc(C)cc(C)c2)cc1 ZINC000161255389 509093021 /nfs/dbraw/zinc/09/30/21/509093021.db2.gz CGJZGDMTYJECCN-INIZCTEOSA-N 1 0 362.495 2.941 20 70 FFIDRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000161273908 509094809 /nfs/dbraw/zinc/09/48/09/509094809.db2.gz HCXIVQZLYXWOPE-CQSZACIVSA-N 1 0 354.834 2.705 20 70 FFIDRO CCC[C@H]1CN(C(=O)NCc2cc3ccccc3[nH]2)CC[N@@H+]1CCOC ZINC000161293564 509098187 /nfs/dbraw/zinc/09/81/87/509098187.db2.gz CBHITZOKHNYQLM-SFHVURJKSA-N 1 0 358.486 2.810 20 70 FFIDRO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000161294920 509098229 /nfs/dbraw/zinc/09/82/29/509098229.db2.gz NNLGKEFYNJAATL-IRXDYDNUSA-N 1 0 351.535 2.652 20 70 FFIDRO C[N@H+](CCO)C1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000161336898 509103503 /nfs/dbraw/zinc/10/35/03/509103503.db2.gz BWYRQWJBDGYMKP-GOSISDBHSA-N 1 0 365.905 2.889 20 70 FFIDRO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000161404075 509112052 /nfs/dbraw/zinc/11/20/52/509112052.db2.gz GQLIRTFWJBEYJK-RCCFBDPRSA-N 1 0 351.535 2.508 20 70 FFIDRO CC(C)CC(=O)NCCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000161450985 509117092 /nfs/dbraw/zinc/11/70/92/509117092.db2.gz CNPIXIUVNOZXPX-UHFFFAOYSA-N 1 0 351.535 2.653 20 70 FFIDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC000161510751 509123125 /nfs/dbraw/zinc/12/31/25/509123125.db2.gz UUJMGCROVGGHJG-QAPCUYQASA-N 1 0 362.495 2.875 20 70 FFIDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC000161510823 509123132 /nfs/dbraw/zinc/12/31/32/509123132.db2.gz UUJMGCROVGGHJG-YJBOKZPZSA-N 1 0 362.495 2.875 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)CN1CCc2ccc(F)cc2C1)c1ccccc1 ZINC000159367585 508831831 /nfs/dbraw/zinc/83/18/31/508831831.db2.gz LYORAMDNEMOUBX-FQEVSTJZSA-N 1 0 355.457 2.603 20 70 FFIDRO CN(C)c1cccc(CN(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000159392467 508835736 /nfs/dbraw/zinc/83/57/36/508835736.db2.gz STQLCAOIDIKVQM-OAQYLSRUSA-N 1 0 368.525 2.604 20 70 FFIDRO Cc1ccc(-n2nc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c3c2CCC3)c(C)c1 ZINC000159433205 508841615 /nfs/dbraw/zinc/84/16/15/508841615.db2.gz NTUNXXHGSBHGTD-CALCHBBNSA-N 1 0 364.493 2.944 20 70 FFIDRO C[C@H]([NH3+])C(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000159482777 508848555 /nfs/dbraw/zinc/84/85/55/508848555.db2.gz DOXQBPMYIGUZJL-LBPRGKRZSA-N 1 0 356.401 2.702 20 70 FFIDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1cccc(I)c1 ZINC000159578991 508861239 /nfs/dbraw/zinc/86/12/39/508861239.db2.gz HSBAUBOJOYSOGO-UHFFFAOYSA-N 1 0 374.266 2.538 20 70 FFIDRO CCC(CC)[C@H](CNC(=O)C[C@@H](C)c1c(C)n[nH]c1C)[NH+]1CCOCC1 ZINC000159580142 508861449 /nfs/dbraw/zinc/86/14/49/508861449.db2.gz DCPYHOPGRBDEEV-KDOFPFPSSA-N 1 0 364.534 2.773 20 70 FFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000159578488 508861563 /nfs/dbraw/zinc/86/15/63/508861563.db2.gz TYLPKWBKKXDLMP-ICSRJNTNSA-N 1 0 369.509 2.803 20 70 FFIDRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCSC2)c1 ZINC000159599400 508863621 /nfs/dbraw/zinc/86/36/21/508863621.db2.gz NUCANEKZFDGAIA-NSHDSACASA-N 1 0 373.316 2.673 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000159618887 508866828 /nfs/dbraw/zinc/86/68/28/508866828.db2.gz IWTKFEYQRVVGPZ-CYBMUJFWSA-N 1 0 353.532 2.555 20 70 FFIDRO COc1ccc2cc(CN(C)C(=O)C[N@H+](C)C[C@H]3CCC[C@@H]3O)ccc2c1 ZINC000159629055 508868592 /nfs/dbraw/zinc/86/85/92/508868592.db2.gz PAIIPXAGBYLUJE-CTNGQTDRSA-N 1 0 370.493 2.900 20 70 FFIDRO Cc1cc(Br)oc1C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000159696660 508876451 /nfs/dbraw/zinc/87/64/51/508876451.db2.gz ICSZSISZOZCGMC-UHFFFAOYSA-N 1 0 373.291 2.781 20 70 FFIDRO Cc1ccc(CNC(=O)NC2CC[NH+](C3CC3)CC2)c(O[C@H]2CCOC2)c1 ZINC000159732542 508882345 /nfs/dbraw/zinc/88/23/45/508882345.db2.gz OJCAWMHNBMNJDW-IBGZPJMESA-N 1 0 373.497 2.589 20 70 FFIDRO CCC[NH+]1CCN(Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000159743340 508883961 /nfs/dbraw/zinc/88/39/61/508883961.db2.gz VBGKCUZMRWQRHY-UHFFFAOYSA-N 1 0 370.497 2.776 20 70 FFIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(C2CCOCC2)CC1 ZINC000159749447 508885059 /nfs/dbraw/zinc/88/50/59/508885059.db2.gz SYNOAEMLPXLFOV-IAGOWNOFSA-N 1 0 351.535 2.955 20 70 FFIDRO C[N@@H+](Cc1cc2c(cc1Br)OCCO2)C[C@H]1CCC[C@@H]1O ZINC000159754165 508885724 /nfs/dbraw/zinc/88/57/24/508885724.db2.gz HAQDBGGIQQQTMR-RISCZKNCSA-N 1 0 356.260 2.813 20 70 FFIDRO CCc1nc(-c2ccc(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cc2)n[nH]1 ZINC000159766144 508887923 /nfs/dbraw/zinc/88/79/23/508887923.db2.gz RNSSQWDGILTSJU-IAGOWNOFSA-N 1 0 353.470 2.590 20 70 FFIDRO CN(C)[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccco1 ZINC000159782879 508890425 /nfs/dbraw/zinc/89/04/25/508890425.db2.gz GQGHHSSNVUVBDH-QGZVFWFLSA-N 1 0 350.507 2.646 20 70 FFIDRO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159805207 508894027 /nfs/dbraw/zinc/89/40/27/508894027.db2.gz JAAOEEQRXZLAPP-MRXNPFEDSA-N 1 0 368.481 2.599 20 70 FFIDRO Cc1cc(C)cc(N2CC[C@@H](C(=O)N3CCC([NH2+]CC4CC4)CC3)C2=O)c1 ZINC000159820334 508896246 /nfs/dbraw/zinc/89/62/46/508896246.db2.gz BZJMCGSHIUCHAE-FQEVSTJZSA-N 1 0 369.509 2.647 20 70 FFIDRO O=C(N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000159829173 508897817 /nfs/dbraw/zinc/89/78/17/508897817.db2.gz HJFAJSJPRNZGQB-AUUYWEPGSA-N 1 0 372.852 2.926 20 70 FFIDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCC(C)CC2)cc1 ZINC000159855543 508901037 /nfs/dbraw/zinc/90/10/37/508901037.db2.gz HZXCGXZLGIFHDN-IAGOWNOFSA-N 1 0 370.497 2.772 20 70 FFIDRO O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159864390 508902719 /nfs/dbraw/zinc/90/27/19/508902719.db2.gz YLLPVILKUZQESK-ZWKOTPCHSA-N 1 0 356.466 2.552 20 70 FFIDRO COC(=O)[C@H](c1cccnc1)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000159874800 508904201 /nfs/dbraw/zinc/90/42/01/508904201.db2.gz BOYZTJXXAGRZIP-IBGZPJMESA-N 1 0 353.466 2.892 20 70 FFIDRO COCCOc1cccc(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000159925369 508912719 /nfs/dbraw/zinc/91/27/19/508912719.db2.gz YNVKAUGCHGIJMB-LJQANCHMSA-N 1 0 372.465 2.801 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCc3ccccc32)cc1 ZINC000159936823 508914174 /nfs/dbraw/zinc/91/41/74/508914174.db2.gz XQESCMGYIPTPQK-JKSUJKDBSA-N 1 0 373.522 2.697 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CCc1ccncc1 ZINC000159983208 508920770 /nfs/dbraw/zinc/92/07/70/508920770.db2.gz VEWNXRANKUJWDU-XLIONFOSSA-N 1 0 352.482 2.786 20 70 FFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000160062982 508932771 /nfs/dbraw/zinc/93/27/71/508932771.db2.gz YGWGGHCIZZWGJY-HXUWFJFHSA-N 1 0 370.472 2.986 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1COc1ccccc1 ZINC000160072807 508934188 /nfs/dbraw/zinc/93/41/88/508934188.db2.gz YSBUZLVHAWKWSH-IBGZPJMESA-N 1 0 368.477 2.842 20 70 FFIDRO CCOCCC1(CNC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000160074364 508934285 /nfs/dbraw/zinc/93/42/85/508934285.db2.gz IASDWMIQDSFHJV-FGTMMUONSA-N 1 0 354.535 2.833 20 70 FFIDRO COc1cccc([C@H](O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000160097392 508938110 /nfs/dbraw/zinc/93/81/10/508938110.db2.gz LZLXNQONSBADHJ-FQEVSTJZSA-N 1 0 372.440 2.649 20 70 FFIDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC4(CCC4)C3)cc2)CC1 ZINC000160188064 508951432 /nfs/dbraw/zinc/95/14/32/508951432.db2.gz AEEHUVZNHIYZLH-UHFFFAOYSA-N 1 0 370.541 2.910 20 70 FFIDRO C[C@@H](CNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160200589 508953863 /nfs/dbraw/zinc/95/38/63/508953863.db2.gz ZKQPRPIYVLAHLU-IKGGRYGDSA-N 1 0 370.501 2.748 20 70 FFIDRO Cc1ccc(-c2nc(CC(=O)NC[C@H](O)C[NH+]3CCCCC3)cs2)cc1 ZINC000160247866 508960037 /nfs/dbraw/zinc/96/00/37/508960037.db2.gz NAVKBEKRYKBUPW-SFHVURJKSA-N 1 0 373.522 2.624 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccnc1Nc1ccccc1F ZINC000160252482 508961140 /nfs/dbraw/zinc/96/11/40/508961140.db2.gz GPMIBGJASLYQGR-HNNXBMFYSA-N 1 0 372.444 2.541 20 70 FFIDRO CC(C)(C)c1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000160329263 508971645 /nfs/dbraw/zinc/97/16/45/508971645.db2.gz GDLLRTYCYXLUCF-LSDHHAIUSA-N 1 0 365.543 2.938 20 70 FFIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(C2CCOCC2)c1C ZINC000160339757 508973546 /nfs/dbraw/zinc/97/35/46/508973546.db2.gz NGMHZVZHQSULOB-GOSISDBHSA-N 1 0 362.518 2.927 20 70 FFIDRO Cc1ccc(C(=O)N[C@H](CC(=O)N2CCC[C@H]2C[NH3+])c2ccccc2)cc1 ZINC000160359013 508976001 /nfs/dbraw/zinc/97/60/01/508976001.db2.gz HYGHAZYQJJGROG-VQTJNVASSA-N 1 0 365.477 2.806 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000160414673 508984032 /nfs/dbraw/zinc/98/40/32/508984032.db2.gz WGRUTMFINPNAIT-KKSFZXQISA-N 1 0 359.514 2.606 20 70 FFIDRO COc1ccc([C@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2ccccc2Cl)cc1 ZINC000160420007 508984390 /nfs/dbraw/zinc/98/43/90/508984390.db2.gz WUMABOHMSNNZNI-ROUUACIJSA-N 1 0 360.841 2.543 20 70 FFIDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(-c2ccncc2)c1 ZINC000160455763 508989314 /nfs/dbraw/zinc/98/93/14/508989314.db2.gz HJZWFDPZWZWUPG-QGZVFWFLSA-N 1 0 366.509 2.952 20 70 FFIDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000160472347 508991339 /nfs/dbraw/zinc/99/13/39/508991339.db2.gz XVSCZXGYLHYBPI-VBQJREDUSA-N 1 0 350.459 2.562 20 70 FFIDRO Cc1c(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cccc1S(=O)(=O)NC(C)(C)C ZINC000160469785 508991382 /nfs/dbraw/zinc/99/13/82/508991382.db2.gz YOHCMVAWJZNQAA-KBPBESRZSA-N 1 0 367.515 2.528 20 70 FFIDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160468661 508991387 /nfs/dbraw/zinc/99/13/87/508991387.db2.gz RDYJJBMEFRFXKL-QFIPXVFZSA-N 1 0 354.494 2.866 20 70 FFIDRO COc1cccc(F)c1[C@@H](C)NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160467745 508991547 /nfs/dbraw/zinc/99/15/47/508991547.db2.gz LTAQUTIUZKMVCA-CRAIPNDOSA-N 1 0 373.472 2.904 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(OCC2CC2)cc1 ZINC000160475557 508992265 /nfs/dbraw/zinc/99/22/65/508992265.db2.gz ZKMUIVWHVSMBPT-LEWJYISDSA-N 1 0 372.509 2.973 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(Cl)ccc1F ZINC000160480343 508992973 /nfs/dbraw/zinc/99/29/73/508992973.db2.gz AONDBGUEEIEBER-DLBZAZTESA-N 1 0 354.853 2.977 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2cc(OC)ccc2OCc2ccccn2)C1 ZINC000160487820 508993890 /nfs/dbraw/zinc/99/38/90/508993890.db2.gz ILGZHDRXXGLPIG-RCMYXZNBSA-N 1 0 367.449 2.503 20 70 FFIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1Cn1cccn1 ZINC000160511318 508997164 /nfs/dbraw/zinc/99/71/64/508997164.db2.gz UZSGZUZUWJAFSH-KSSFIOAISA-N 1 0 366.469 2.506 20 70 FFIDRO Cc1noc(CSc2ccccc2C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n1 ZINC000160517327 508998058 /nfs/dbraw/zinc/99/80/58/508998058.db2.gz GMGHGZBNWHEBBI-OKILXGFUSA-N 1 0 358.467 2.637 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000160552456 509002256 /nfs/dbraw/zinc/00/22/56/509002256.db2.gz JZAVSTDREXXTLH-WTGUMLROSA-N 1 0 360.473 2.813 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2cccs2)CCCCC1 ZINC000160583001 509005655 /nfs/dbraw/zinc/00/56/55/509005655.db2.gz XKPQAPAHPICBPX-INIZCTEOSA-N 1 0 350.528 2.913 20 70 FFIDRO C[C@@H](Sc1ccccc1Cl)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160584252 509006274 /nfs/dbraw/zinc/00/62/74/509006274.db2.gz YUFPOXXVUPXDLM-CYBMUJFWSA-N 1 0 356.919 2.641 20 70 FFIDRO O=C(CCc1c[nH]c2ccccc12)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160593206 509007493 /nfs/dbraw/zinc/00/74/93/509007493.db2.gz HDHIGSFTGLZXEO-LEWJYISDSA-N 1 0 369.509 2.985 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN3CCC([NH+]4CCCC4)CC3)c2c1 ZINC000160599870 509008673 /nfs/dbraw/zinc/00/86/73/509008673.db2.gz WANLHPHLAANLLJ-UHFFFAOYSA-N 1 0 369.465 2.697 20 70 FFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000160619646 509010977 /nfs/dbraw/zinc/01/09/77/509010977.db2.gz UYESEAYDXSDFQM-DLBZAZTESA-N 1 0 363.527 2.923 20 70 FFIDRO CN(C(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1)c1ccccc1 ZINC000160656559 509015078 /nfs/dbraw/zinc/01/50/78/509015078.db2.gz ZTEAYHIQWJCONB-MRXNPFEDSA-N 1 0 351.450 2.645 20 70 FFIDRO CCc1ccccc1OCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160668928 509017346 /nfs/dbraw/zinc/01/73/46/509017346.db2.gz GLEODSBZQSDOKU-RTBURBONSA-N 1 0 360.498 2.512 20 70 FFIDRO Cc1cccc(OCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160689745 509021001 /nfs/dbraw/zinc/02/10/01/509021001.db2.gz OPCZLHUMYDUDSO-PMACEKPBSA-N 1 0 360.498 2.648 20 70 FFIDRO O=C1CCCN1C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000160714923 509024196 /nfs/dbraw/zinc/02/41/96/509024196.db2.gz LCSJMKZNZWXZKF-QGZVFWFLSA-N 1 0 351.441 2.669 20 70 FFIDRO C[N@H+](CC(=O)NC1CCCC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160768058 509030658 /nfs/dbraw/zinc/03/06/58/509030658.db2.gz DICOYAAMOCTRGT-SJPCQFCGSA-N 1 0 365.518 2.908 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(F)cc4cccnc43)nc2)CC1 ZINC000160791769 509033573 /nfs/dbraw/zinc/03/35/73/509033573.db2.gz GAMUHAZYGJGZCC-UHFFFAOYSA-N 1 0 365.412 2.773 20 70 FFIDRO COCc1ccccc1NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000160825939 509037100 /nfs/dbraw/zinc/03/71/00/509037100.db2.gz MLRPETAEWXCNMZ-DFNIBXOVSA-N 1 0 372.513 2.608 20 70 FFIDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)NC(=O)NC(C)(C)C ZINC000160848813 509040082 /nfs/dbraw/zinc/04/00/82/509040082.db2.gz ZVDXODAALWPLBH-ZIAGYGMSSA-N 1 0 357.458 2.536 20 70 FFIDRO CSc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)ccc1F ZINC000160902222 509045600 /nfs/dbraw/zinc/04/56/00/509045600.db2.gz HHMFRDVDYHJRTG-UHFFFAOYSA-N 1 0 360.458 2.947 20 70 FFIDRO Cc1ccc(NS(C)(=O)=O)c(NC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000160906007 509046722 /nfs/dbraw/zinc/04/67/22/509046722.db2.gz ASPKMQHWWOQBGC-HNNXBMFYSA-N 1 0 361.467 2.785 20 70 FFIDRO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccc(NC(N)=O)cc1 ZINC000161014613 509059923 /nfs/dbraw/zinc/05/99/23/509059923.db2.gz AIWIOMDQXASKKG-AWEZNQCLSA-N 1 0 361.490 2.802 20 70 FFIDRO COCCN(Cc1cccnc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000161011887 509060153 /nfs/dbraw/zinc/06/01/53/509060153.db2.gz NMUKNALWVYAIKH-IBGZPJMESA-N 1 0 362.518 2.750 20 70 FFIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161038064 509062894 /nfs/dbraw/zinc/06/28/94/509062894.db2.gz ALFLDGCGPMGZAO-SLFFLAALSA-N 1 0 354.450 2.877 20 70 FFIDRO C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1ccc(NC(N)=O)cc1 ZINC000161043647 509064037 /nfs/dbraw/zinc/06/40/37/509064037.db2.gz ZSIRYMVPPNUNLG-OAHLLOKOSA-N 1 0 361.490 2.659 20 70 FFIDRO CN(C)C(=O)Nc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)c(Cl)c1 ZINC000161087275 509069819 /nfs/dbraw/zinc/06/98/19/509069819.db2.gz JAJNLCQTBHPHPF-UHFFFAOYSA-N 1 0 354.882 2.751 20 70 FFIDRO CCC(=O)N1CC[C@@H](C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000161103736 509072168 /nfs/dbraw/zinc/07/21/68/509072168.db2.gz QRIJJUJBLVQTDN-MOPGFXCFSA-N 1 0 357.498 2.507 20 70 FFIDRO O=C(NCc1ccccc1CO)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000161125365 509075038 /nfs/dbraw/zinc/07/50/38/509075038.db2.gz SVZKVRBIDOUIHP-UHFFFAOYSA-N 1 0 371.456 2.782 20 70 FFIDRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000161140122 509076978 /nfs/dbraw/zinc/07/69/78/509076978.db2.gz CZWXAGLZZNWYJU-IKGGRYGDSA-N 1 0 363.527 2.779 20 70 FFIDRO CCOC[C@H]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000161165408 509080163 /nfs/dbraw/zinc/08/01/63/509080163.db2.gz KFFNPIBJSWRRIQ-SJORKVTESA-N 1 0 360.502 2.675 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000161291477 509097223 /nfs/dbraw/zinc/09/72/23/509097223.db2.gz NCLYYOXBYJPROJ-UHFFFAOYSA-N 1 0 370.497 2.751 20 70 FFIDRO CC[C@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCN1CC(F)F ZINC000161309971 509100574 /nfs/dbraw/zinc/10/05/74/509100574.db2.gz SPPOFKGWOJTBFC-INIZCTEOSA-N 1 0 359.505 2.932 20 70 FFIDRO Cc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1I ZINC000161323304 509102366 /nfs/dbraw/zinc/10/23/66/509102366.db2.gz UXIOUXKGUKWDDX-WDEREUQCSA-N 1 0 358.223 2.599 20 70 FFIDRO CN(CCC[NH+]1CCCCC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161464728 509119075 /nfs/dbraw/zinc/11/90/75/509119075.db2.gz VDSKFNFHFGXYAX-MRXNPFEDSA-N 1 0 368.319 2.783 20 70 FFIDRO CC(C)CC(=O)NCCC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000161470087 509119908 /nfs/dbraw/zinc/11/99/08/509119908.db2.gz KATWKICUMBKSNE-UHFFFAOYSA-N 1 0 366.531 2.866 20 70 FFIDRO C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000161480316 509120160 /nfs/dbraw/zinc/12/01/60/509120160.db2.gz CVOZEPPUGLNGLV-AWEZNQCLSA-N 1 0 373.497 2.953 20 70 FFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cnn(C3CCOCC3)c2C)c1 ZINC000161478210 509120423 /nfs/dbraw/zinc/12/04/23/509120423.db2.gz VOHYODODORBWNS-UHFFFAOYSA-N 1 0 370.497 2.925 20 70 FFIDRO COc1cc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)ccc1S(C)(=O)=O ZINC000161488389 509121393 /nfs/dbraw/zinc/12/13/93/509121393.db2.gz WKWXZEYPPLOKSQ-YOEHRIQHSA-N 1 0 363.479 2.525 20 70 FFIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000161508924 509123185 /nfs/dbraw/zinc/12/31/85/509123185.db2.gz FIUPIHAFQSIJNO-INIZCTEOSA-N 1 0 365.543 2.606 20 70 FFIDRO CCOc1ccc(CN2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000218769201 509282013 /nfs/dbraw/zinc/28/20/13/509282013.db2.gz NBDKFEGMBXLRRY-OAQYLSRUSA-N 1 0 354.494 2.807 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000159369380 508831715 /nfs/dbraw/zinc/83/17/15/508831715.db2.gz QFNPZIZLXYTQGD-SOLBZPMBSA-N 1 0 367.559 2.850 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000159378094 508833279 /nfs/dbraw/zinc/83/32/79/508833279.db2.gz OINFENPYKBCXRD-UHFFFAOYSA-N 1 0 358.486 2.504 20 70 FFIDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000159425381 508840833 /nfs/dbraw/zinc/84/08/33/508840833.db2.gz DDUUVFWVBUMCGS-MRXNPFEDSA-N 1 0 368.543 2.632 20 70 FFIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000159433607 508841778 /nfs/dbraw/zinc/84/17/78/508841778.db2.gz AESQOBZSSLXAAA-AABGKKOBSA-N 1 0 360.498 2.816 20 70 FFIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159460886 508845248 /nfs/dbraw/zinc/84/52/48/508845248.db2.gz WYDPDXLCVXUSRN-SFHVURJKSA-N 1 0 361.534 2.964 20 70 FFIDRO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159486969 508848549 /nfs/dbraw/zinc/84/85/49/508848549.db2.gz SQUGJNUKXLZMFG-HUBLWGQQSA-N 1 0 355.276 2.869 20 70 FFIDRO O=C(CCSc1ccc2c(c1)OCCO2)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000159492939 508849395 /nfs/dbraw/zinc/84/93/95/508849395.db2.gz VCPBJCRVVGMTQJ-HNNXBMFYSA-N 1 0 362.495 2.541 20 70 FFIDRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000159513417 508851940 /nfs/dbraw/zinc/85/19/40/508851940.db2.gz DWDUSPHSFCKJOA-MRXNPFEDSA-N 1 0 363.506 2.505 20 70 FFIDRO Cc1cccc2nc(CNC(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cn21 ZINC000159543373 508856300 /nfs/dbraw/zinc/85/63/00/508856300.db2.gz VWTIIWKDRAZWRP-SFHVURJKSA-N 1 0 355.486 2.803 20 70 FFIDRO CN(C(=O)NCCc1cscn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000159556822 508857787 /nfs/dbraw/zinc/85/77/87/508857787.db2.gz WQFGUZHWNJPRGR-UHFFFAOYSA-N 1 0 358.511 2.992 20 70 FFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000159555833 508858057 /nfs/dbraw/zinc/85/80/57/508858057.db2.gz FNKYWKPOLRMPDP-CQSZACIVSA-N 1 0 354.445 2.525 20 70 FFIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(I)cc1 ZINC000159564066 508859260 /nfs/dbraw/zinc/85/92/60/508859260.db2.gz ZMGWTHOJPDDDHK-LBPRGKRZSA-N 1 0 372.250 2.954 20 70 FFIDRO CCC(=O)N1CC[C@H](C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000159576686 508861492 /nfs/dbraw/zinc/86/14/92/508861492.db2.gz SZVYTOUXIVDYGK-YSIASYRMSA-N 1 0 371.525 2.929 20 70 FFIDRO CC(C)N(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1cccnc1 ZINC000159596323 508863663 /nfs/dbraw/zinc/86/36/63/508863663.db2.gz CEFYBAFKAOSHLV-HXUWFJFHSA-N 1 0 354.498 2.711 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000159601951 508864334 /nfs/dbraw/zinc/86/43/34/508864334.db2.gz WQWGFRJYMJLXQG-UHFFFAOYSA-N 1 0 359.392 2.865 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)C1(NC(=O)OC(C)(C)C)CC1)c1cccc(F)c1 ZINC000159640495 508869583 /nfs/dbraw/zinc/86/95/83/508869583.db2.gz OBTNAYXHGZQADQ-HNNXBMFYSA-N 1 0 365.449 2.602 20 70 FFIDRO O=C(Nc1nc(-c2ccccc2C(F)(F)F)cs1)[C@@H]1C[NH2+]CCO1 ZINC000159641652 508870488 /nfs/dbraw/zinc/87/04/88/508870488.db2.gz HDGJPGQXQWIPLS-LBPRGKRZSA-N 1 0 357.357 2.756 20 70 FFIDRO CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000159662822 508873060 /nfs/dbraw/zinc/87/30/60/508873060.db2.gz FWRINLAZTRHKQK-OALUTQOASA-N 1 0 372.513 2.522 20 70 FFIDRO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N2CCC[N@H+](CC)CC2)c1 ZINC000159691300 508876392 /nfs/dbraw/zinc/87/63/92/508876392.db2.gz NUOSJCQUPQATKN-INIZCTEOSA-N 1 0 360.502 2.908 20 70 FFIDRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159733047 508882254 /nfs/dbraw/zinc/88/22/54/508882254.db2.gz VNCUDBMJZULOGG-HKUYNNGSSA-N 1 0 370.497 2.829 20 70 FFIDRO C[NH+]1CCN(CCOc2ccc(NC(=O)CCCn3cccc3)cc2)CC1 ZINC000159738795 508883185 /nfs/dbraw/zinc/88/31/85/508883185.db2.gz GSJXYYZDOPOFON-UHFFFAOYSA-N 1 0 370.497 2.533 20 70 FFIDRO COCc1nc(C)c(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)s1 ZINC000159757671 508885682 /nfs/dbraw/zinc/88/56/82/508885682.db2.gz PSNVACHFNLXISW-UHFFFAOYSA-N 1 0 374.510 2.598 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2cc(Br)ccc2F)CC1 ZINC000159762714 508887209 /nfs/dbraw/zinc/88/72/09/508887209.db2.gz SNXKYZDYMBUCFZ-UHFFFAOYSA-N 1 0 372.282 2.868 20 70 FFIDRO CC(C)[N@H+](Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)C1CCCCC1 ZINC000159770871 508888746 /nfs/dbraw/zinc/88/87/46/508888746.db2.gz AIILGCDHLUZJPR-GOSISDBHSA-N 1 0 353.532 2.960 20 70 FFIDRO CCOc1ccc2c(c1)C[C@@H](C(=O)N1CCC([NH2+]CC3CC3)CC1)CO2 ZINC000159789959 508890974 /nfs/dbraw/zinc/89/09/74/508890974.db2.gz CASUVNXZMUDSNR-QGZVFWFLSA-N 1 0 358.482 2.627 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159806980 508894008 /nfs/dbraw/zinc/89/40/08/508894008.db2.gz VXHBSQAXUHLIDI-UHFFFAOYSA-N 1 0 371.525 2.905 20 70 FFIDRO NC(=O)CC1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000159814880 508894698 /nfs/dbraw/zinc/89/46/98/508894698.db2.gz ATKCJMRQRVAFPD-UHFFFAOYSA-N 1 0 365.271 2.812 20 70 FFIDRO C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)CCCC1)c1ccccc1 ZINC000159874499 508904478 /nfs/dbraw/zinc/90/44/78/508904478.db2.gz JAYAYZINSNNVHA-FUHWJXTLSA-N 1 0 372.513 2.570 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000159878924 508905210 /nfs/dbraw/zinc/90/52/10/508905210.db2.gz QRPDUJKYXPHYGF-INIZCTEOSA-N 1 0 359.495 2.516 20 70 FFIDRO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000159887335 508906688 /nfs/dbraw/zinc/90/66/88/508906688.db2.gz YKRXRGJYWJSPCY-YLJYHZDGSA-N 1 0 371.525 2.539 20 70 FFIDRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159899303 508908551 /nfs/dbraw/zinc/90/85/51/508908551.db2.gz IAUMZDBMJCEWRH-DLBZAZTESA-N 1 0 363.465 2.931 20 70 FFIDRO C[NH+]1CCC(CNC(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000159905204 508909008 /nfs/dbraw/zinc/90/90/08/508909008.db2.gz FUQOYCQWKXPVFA-UHFFFAOYSA-N 1 0 364.287 2.931 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000159902544 508909175 /nfs/dbraw/zinc/90/91/75/508909175.db2.gz LGDHZRUTWIGGNH-IFXJQAMLSA-N 1 0 356.445 2.562 20 70 FFIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCCc1ccccc1 ZINC000159930063 508913250 /nfs/dbraw/zinc/91/32/50/508913250.db2.gz SVNUVJJPUNXJDP-IAGOWNOFSA-N 1 0 363.465 2.665 20 70 FFIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)N3CCC[N@H+](CC)CC3)ccc2NC1=O ZINC000159936302 508914433 /nfs/dbraw/zinc/91/44/33/508914433.db2.gz OHGMAMDSMCIWEW-YOEHRIQHSA-N 1 0 374.485 2.594 20 70 FFIDRO COc1cc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc(OC)c1O ZINC000160000846 508923698 /nfs/dbraw/zinc/92/36/98/508923698.db2.gz VOIKUZLQTVXISG-UHFFFAOYSA-N 1 0 362.470 2.746 20 70 FFIDRO O=C(c1ccnc(OCC(F)(F)F)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000160010919 508925370 /nfs/dbraw/zinc/92/53/70/508925370.db2.gz NQTYMSAVEBPYSB-UHFFFAOYSA-N 1 0 357.376 2.723 20 70 FFIDRO CCN(CC)S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160017598 508926029 /nfs/dbraw/zinc/92/60/29/508926029.db2.gz KZTCFXFGMLISNL-AEFFLSMTSA-N 1 0 353.532 2.558 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000160018398 508926455 /nfs/dbraw/zinc/92/64/55/508926455.db2.gz DHYJGSCZWHEMDZ-UHFFFAOYSA-N 1 0 372.469 2.642 20 70 FFIDRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160075654 508934924 /nfs/dbraw/zinc/93/49/24/508934924.db2.gz IPUVWMHHQLCAND-UHFFFAOYSA-N 1 0 366.465 2.679 20 70 FFIDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cnc1Cl ZINC000160132393 508942678 /nfs/dbraw/zinc/94/26/78/508942678.db2.gz NFFBWGHALYRBHM-AWEZNQCLSA-N 1 0 357.907 2.682 20 70 FFIDRO CCC(CC)[C@@H](CNC(=O)N1CCCN(CC(F)F)CC1)[NH+]1CCCC1 ZINC000160131802 508942802 /nfs/dbraw/zinc/94/28/02/508942802.db2.gz GXIHTGHCXLSQIB-QGZVFWFLSA-N 1 0 374.520 2.869 20 70 FFIDRO CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160140801 508944608 /nfs/dbraw/zinc/94/46/08/508944608.db2.gz NHMIVZABWDZQCO-OAHLLOKOSA-N 1 0 354.878 2.704 20 70 FFIDRO O=C(CCCOCc1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160200560 508953494 /nfs/dbraw/zinc/95/34/94/508953494.db2.gz GVECQACERASDRA-NHCUHLMSSA-N 1 0 374.525 2.868 20 70 FFIDRO CCCCn1ncc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000160212648 508955144 /nfs/dbraw/zinc/95/51/44/508955144.db2.gz VJHWTNFHTDUOMB-GJZGRUSLSA-N 1 0 351.495 2.612 20 70 FFIDRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000160221637 508956488 /nfs/dbraw/zinc/95/64/88/508956488.db2.gz WUPBACOMVCDIDI-PKOBYXMFSA-N 1 0 357.498 2.729 20 70 FFIDRO COc1ccc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)nn1 ZINC000160239470 508959140 /nfs/dbraw/zinc/95/91/40/508959140.db2.gz PZLKXFIWMLNEHL-OAHLLOKOSA-N 1 0 354.454 2.879 20 70 FFIDRO Cc1cccc(C)c1OCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160244457 508959394 /nfs/dbraw/zinc/95/93/94/508959394.db2.gz FDLRXFZERROYDD-WOJBJXKFSA-N 1 0 374.525 2.956 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000160281246 508964000 /nfs/dbraw/zinc/96/40/00/508964000.db2.gz JQATZOYKCPIFDL-CVEARBPZSA-N 1 0 353.532 2.510 20 70 FFIDRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCNC(=O)C2CCCCC2)C1 ZINC000160274471 508964200 /nfs/dbraw/zinc/96/42/00/508964200.db2.gz IJRNISWCHHXAQL-KRWDZBQOSA-N 1 0 351.535 2.701 20 70 FFIDRO CCCc1ncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000160324420 508970769 /nfs/dbraw/zinc/97/07/69/508970769.db2.gz UNZUOLIUFULRMK-LSDHHAIUSA-N 1 0 351.516 2.593 20 70 FFIDRO CN(C[C@@H]1CCC[C@H]1O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000160326367 508970810 /nfs/dbraw/zinc/97/08/10/508970810.db2.gz DIWBNCPEBLSOIN-XYJFISCASA-N 1 0 365.543 2.763 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)N(C[C@@H]2CCOC2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000160349444 508974444 /nfs/dbraw/zinc/97/44/44/508974444.db2.gz IDVGLBXVRXMFJI-NEWSRXKRSA-N 1 0 357.498 2.860 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)c1csc([C@@H]2CCCO2)n1)Cc1ccccc1 ZINC000160362603 508976043 /nfs/dbraw/zinc/97/60/43/508976043.db2.gz ZUYGFHQCIBRGKM-RDJZCZTQSA-N 1 0 359.495 2.897 20 70 FFIDRO Cc1nc(-c2ccsc2)ccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160364546 508976881 /nfs/dbraw/zinc/97/68/81/508976881.db2.gz UUTLTZCCCASZOM-INIZCTEOSA-N 1 0 359.495 2.695 20 70 FFIDRO Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(Br)n1 ZINC000160381830 508978357 /nfs/dbraw/zinc/97/83/57/508978357.db2.gz RITCTBNYJMOPGX-JSGCOSHPSA-N 1 0 352.276 2.709 20 70 FFIDRO Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(Br)n1 ZINC000160382211 508978716 /nfs/dbraw/zinc/97/87/16/508978716.db2.gz RITCTBNYJMOPGX-TZMCWYRMSA-N 1 0 352.276 2.709 20 70 FFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cnn(-c3ccc(F)cc3)c1C)CC2 ZINC000160397550 508981387 /nfs/dbraw/zinc/98/13/87/508981387.db2.gz DBZJUNZAIWRZIF-BLLLJJGKSA-N 1 0 354.433 2.885 20 70 FFIDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(F)cc1OC(F)F ZINC000160438042 508986864 /nfs/dbraw/zinc/98/68/64/508986864.db2.gz AQQCFXBRRQJNTQ-LBPRGKRZSA-N 1 0 373.419 2.630 20 70 FFIDRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160436068 508987061 /nfs/dbraw/zinc/98/70/61/508987061.db2.gz BAFWBRLPNNSWBX-NVXWUHKLSA-N 1 0 351.516 2.779 20 70 FFIDRO CC(C)C[C@H](C)OCCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160466151 508990812 /nfs/dbraw/zinc/99/08/12/508990812.db2.gz NAVYDWJLKYAROA-WDSOQIARSA-N 1 0 354.535 2.712 20 70 FFIDRO O=C(CCCOc1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160480845 508993429 /nfs/dbraw/zinc/99/34/29/508993429.db2.gz XNCDKYVCAUIOJX-VQTJNVASSA-N 1 0 360.498 2.730 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000160503355 508995782 /nfs/dbraw/zinc/99/57/82/508995782.db2.gz FECALZQHDPCQEY-SUMDDJOVSA-N 1 0 368.543 2.919 20 70 FFIDRO O=C(N[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1)c1ccccc1 ZINC000160535784 508999359 /nfs/dbraw/zinc/99/93/59/508999359.db2.gz KCQGZXWVXIQCFO-HSALFYBXSA-N 1 0 363.461 2.511 20 70 FFIDRO Cc1nc(-c2ccsc2)ccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160534415 508999651 /nfs/dbraw/zinc/99/96/51/508999651.db2.gz XMHRVPGZNKTSJW-UHFFFAOYSA-N 1 0 359.495 2.553 20 70 FFIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000160559027 509002635 /nfs/dbraw/zinc/00/26/35/509002635.db2.gz MNORSQNBSAHCSY-UHFFFAOYSA-N 1 0 371.456 2.685 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000160555246 509002773 /nfs/dbraw/zinc/00/27/73/509002773.db2.gz BAMPAFCUZDVMML-UHFFFAOYSA-N 1 0 359.514 2.763 20 70 FFIDRO COc1cccc(COCCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000160581220 509006023 /nfs/dbraw/zinc/00/60/23/509006023.db2.gz XREFTEKDVUEWOS-GOSISDBHSA-N 1 0 363.502 2.728 20 70 FFIDRO CC(=O)Nc1ccccc1CNc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000160614287 509009960 /nfs/dbraw/zinc/00/99/60/509009960.db2.gz ZTSGUQLLURUEGX-UHFFFAOYSA-N 1 0 368.437 2.727 20 70 FFIDRO C[C@H](COc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160657189 509015266 /nfs/dbraw/zinc/01/52/66/509015266.db2.gz DXSBCXREKBGCKX-UXPWSPDFSA-N 1 0 360.498 2.586 20 70 FFIDRO Cc1c(CNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cnn1C ZINC000160663670 509016538 /nfs/dbraw/zinc/01/65/38/509016538.db2.gz WZUINZNSGLHZLP-IBGZPJMESA-N 1 0 355.486 2.582 20 70 FFIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160671225 509017887 /nfs/dbraw/zinc/01/78/87/509017887.db2.gz JAJGQEJQFOLPEF-QGZVFWFLSA-N 1 0 366.465 2.678 20 70 FFIDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1F ZINC000160713722 509023299 /nfs/dbraw/zinc/02/32/99/509023299.db2.gz XEXZHCDBBUHHMN-QGZVFWFLSA-N 1 0 354.422 2.984 20 70 FFIDRO Cn1c2cc(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)ccc2[nH]c1=O ZINC000160861443 509040729 /nfs/dbraw/zinc/04/07/29/509040729.db2.gz FDAUONVHLOOBPS-UHFFFAOYSA-N 1 0 364.449 2.757 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ncccc2F)CC1 ZINC000160901737 509045642 /nfs/dbraw/zinc/04/56/42/509045642.db2.gz PWEYHSBDGMNQPN-AWEZNQCLSA-N 1 0 357.433 2.641 20 70 FFIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000160993510 509057828 /nfs/dbraw/zinc/05/78/28/509057828.db2.gz VKYISXFZCCNVOZ-BZUAXINKSA-N 1 0 357.498 2.675 20 70 FFIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161038177 509063074 /nfs/dbraw/zinc/06/30/74/509063074.db2.gz ALFLDGCGPMGZAO-UFYCRDLUSA-N 1 0 354.450 2.877 20 70 FFIDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(-c3ncn(C)n3)cc1)C2 ZINC000161071682 509067299 /nfs/dbraw/zinc/06/72/99/509067299.db2.gz DINKJRBHBNWIOK-ZWKOTPCHSA-N 1 0 368.485 2.961 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)CC1 ZINC000161082807 509068660 /nfs/dbraw/zinc/06/86/60/509068660.db2.gz ILJOASLDQMZQAE-AWEZNQCLSA-N 1 0 363.527 2.974 20 70 FFIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000161087512 509069387 /nfs/dbraw/zinc/06/93/87/509069387.db2.gz SBEAVPSOXWBTSI-KUHUBIRLSA-N 1 0 360.429 2.504 20 70 FFIDRO COCCOc1cccc(CC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000161101194 509071099 /nfs/dbraw/zinc/07/10/99/509071099.db2.gz LIWZMCBUTBILJH-HXUWFJFHSA-N 1 0 374.456 2.813 20 70 FFIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(NS(C)(=O)=O)cc1 ZINC000161127796 509074836 /nfs/dbraw/zinc/07/48/36/509074836.db2.gz OXLIASWQMOGCIT-ZDUSSCGKSA-N 1 0 362.451 2.680 20 70 FFIDRO CC(C)C[C@@H](CO)NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000161167638 509080133 /nfs/dbraw/zinc/08/01/33/509080133.db2.gz AHSPBAQIBYGBSJ-WMZOPIPTSA-N 1 0 372.431 2.964 20 70 FFIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161169532 509080720 /nfs/dbraw/zinc/08/07/20/509080720.db2.gz LZZINFDAXCQOFK-HXUWFJFHSA-N 1 0 373.541 2.783 20 70 FFIDRO CC[C@H](C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)[NH+](C)C ZINC000161180835 509081765 /nfs/dbraw/zinc/08/17/65/509081765.db2.gz WGKSECJGXPCMQS-LJQANCHMSA-N 1 0 353.466 2.938 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](CO)c2ccccc2)CC1 ZINC000161181595 509082201 /nfs/dbraw/zinc/08/22/01/509082201.db2.gz UYNBVLAASKPOCE-JXFKEZNVSA-N 1 0 368.481 2.640 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2(O)CCCCC2)CC1 ZINC000161189762 509083708 /nfs/dbraw/zinc/08/37/08/509083708.db2.gz CDGJQXCZILWMRJ-MRXNPFEDSA-N 1 0 360.502 2.601 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000161196674 509084236 /nfs/dbraw/zinc/08/42/36/509084236.db2.gz OUFLMKNTNXXUCH-HNNXBMFYSA-N 1 0 362.861 2.923 20 70 FFIDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccccc2)cc1 ZINC000161206197 509085589 /nfs/dbraw/zinc/08/55/89/509085589.db2.gz HSZIWHOSTDUGBS-AZUAARDMSA-N 1 0 351.450 2.885 20 70 FFIDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)CC1 ZINC000161208586 509086218 /nfs/dbraw/zinc/08/62/18/509086218.db2.gz OXSHNBMMPSFJCU-SFHVURJKSA-N 1 0 366.546 2.789 20 70 FFIDRO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000161312943 509100513 /nfs/dbraw/zinc/10/05/13/509100513.db2.gz PBEOJGCSDGDLBJ-QWHCGFSZSA-N 1 0 367.287 2.726 20 70 FFIDRO Cc1c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cnn1C1CCOCC1 ZINC000161335873 509103333 /nfs/dbraw/zinc/10/33/33/509103333.db2.gz GQELHVYJAKGHPK-UHFFFAOYSA-N 1 0 356.470 2.899 20 70 FFIDRO COc1ccc(Br)cc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000161336056 509103378 /nfs/dbraw/zinc/10/33/78/509103378.db2.gz XZFUXTDSQAWSJA-LLVKDONJSA-N 1 0 353.260 2.672 20 70 FFIDRO O=C(c1ccc(O)cc1)N1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000161397947 509111529 /nfs/dbraw/zinc/11/15/29/509111529.db2.gz SOOWSRYMTCRYIU-UHFFFAOYSA-N 1 0 360.841 2.882 20 70 FFIDRO CC(=O)NC1CCC([NH2+]Cc2cccc(COC3CCOCC3)c2)CC1 ZINC000161428132 509114908 /nfs/dbraw/zinc/11/49/08/509114908.db2.gz YYGQUCDFMCORKM-UHFFFAOYSA-N 1 0 360.498 2.919 20 70 FFIDRO Cc1cc(C)n2nc(C(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)nc2n1 ZINC000161504568 509122787 /nfs/dbraw/zinc/12/27/87/509122787.db2.gz YVCQBVAAZPUGDT-UHFFFAOYSA-N 1 0 370.501 2.514 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC(=O)c2ccc(C)cc2)cc1 ZINC000161506023 509123442 /nfs/dbraw/zinc/12/34/42/509123442.db2.gz YDJJLGXWSFPQOG-OAHLLOKOSA-N 1 0 360.479 2.827 20 70 FFIDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(SC)ccc3Cl)C2)CC1 ZINC000216971588 509266322 /nfs/dbraw/zinc/26/63/22/509266322.db2.gz LSFCKTDJUOEFPS-CQSZACIVSA-N 1 0 367.946 2.914 20 70 FFIDRO Brc1cc2c(cc1CN[C@@H]1CC[N@@H+]3CCCC[C@@H]13)OCO2 ZINC000217698389 509272534 /nfs/dbraw/zinc/27/25/34/509272534.db2.gz YJZNONPMDNVLHH-KGLIPLIRSA-N 1 0 353.260 2.894 20 70 FFIDRO O=C(CSc1cccs1)Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000159361927 508830942 /nfs/dbraw/zinc/83/09/42/508830942.db2.gz DGPJQDXBLZAIPE-UHFFFAOYSA-N 1 0 361.492 2.524 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000159373693 508832754 /nfs/dbraw/zinc/83/27/54/508832754.db2.gz DFBRKLQTSYXWRL-UHFFFAOYSA-N 1 0 357.498 2.658 20 70 FFIDRO CCCOc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159393539 508836170 /nfs/dbraw/zinc/83/61/70/508836170.db2.gz FGGPVHNAJRXYDL-INIZCTEOSA-N 1 0 361.486 2.508 20 70 FFIDRO CCN(CCc1nccs1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000159423272 508840096 /nfs/dbraw/zinc/84/00/96/508840096.db2.gz YKWRXDVLSKEXQG-UHFFFAOYSA-N 1 0 358.423 2.986 20 70 FFIDRO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000159432199 508841359 /nfs/dbraw/zinc/84/13/59/508841359.db2.gz OFHNPYZHXOHVMK-FZKQIMNGSA-N 1 0 357.433 2.565 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc3c2CCCC3)C1 ZINC000159447547 508843193 /nfs/dbraw/zinc/84/31/93/508843193.db2.gz HVNLPBZXMCIDNB-INIZCTEOSA-N 1 0 357.498 2.598 20 70 FFIDRO C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000159546049 508856514 /nfs/dbraw/zinc/85/65/14/508856514.db2.gz XLTOFCBQYHVQSH-NVXWUHKLSA-N 1 0 361.486 2.710 20 70 FFIDRO Cc1ccc(NC(=O)NC[C@H](O)c2ccsc2)c(OCC[NH+](C)C)c1 ZINC000159559028 508859232 /nfs/dbraw/zinc/85/92/32/508859232.db2.gz UVPJXRCEJQSCCW-INIZCTEOSA-N 1 0 363.483 2.852 20 70 FFIDRO CCOC[C@H](C)[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000159616954 508865961 /nfs/dbraw/zinc/86/59/61/508865961.db2.gz NBLUUXMBPKIIQV-LBPRGKRZSA-N 1 0 373.291 2.592 20 70 FFIDRO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c(C)c1 ZINC000159638773 508869631 /nfs/dbraw/zinc/86/96/31/508869631.db2.gz AZUVASMZIDTIRC-ROUUACIJSA-N 1 0 357.498 2.931 20 70 FFIDRO O=C(Nc1nc(-c2ccccc2C(F)(F)F)cs1)[C@H]1C[NH2+]CCO1 ZINC000159641786 508870452 /nfs/dbraw/zinc/87/04/52/508870452.db2.gz HDGJPGQXQWIPLS-GFCCVEGCSA-N 1 0 357.357 2.756 20 70 FFIDRO COc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1OCc1cccnc1 ZINC000159643363 508870503 /nfs/dbraw/zinc/87/05/03/508870503.db2.gz NAYYFOIBYPHXFX-QAPCUYQASA-N 1 0 369.465 2.755 20 70 FFIDRO COCCOc1cccc(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000159703069 508878010 /nfs/dbraw/zinc/87/80/10/508878010.db2.gz XWXSVEYBQMYVGM-HXUWFJFHSA-N 1 0 356.466 2.673 20 70 FFIDRO C[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C[C@@H]1CCC[C@@H]1O ZINC000159730523 508881298 /nfs/dbraw/zinc/88/12/98/508881298.db2.gz WDHADPNDHWWGMM-LPHOPBHVSA-N 1 0 368.481 2.781 20 70 FFIDRO Cc1nc(-c2ncccn2)sc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159726345 508881374 /nfs/dbraw/zinc/88/13/74/508881374.db2.gz XADWVBFGOXKUHJ-UHFFFAOYSA-N 1 0 359.499 2.951 20 70 FFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc(N2CCCC2=O)ccc1F ZINC000159731382 508881440 /nfs/dbraw/zinc/88/14/40/508881440.db2.gz AXYLOWIQKFPRKU-UHFFFAOYSA-N 1 0 361.461 2.995 20 70 FFIDRO CSC[C@](C)(O)CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000159868775 508903411 /nfs/dbraw/zinc/90/34/11/508903411.db2.gz UZSMVSMGSORPFT-KBXCAEBGSA-N 1 0 353.532 2.529 20 70 FFIDRO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000159882528 508906015 /nfs/dbraw/zinc/90/60/15/508906015.db2.gz WKWSGUHLSVQBKL-HOTGVXAUSA-N 1 0 353.470 2.529 20 70 FFIDRO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159899638 508908100 /nfs/dbraw/zinc/90/81/00/508908100.db2.gz IAUMZDBMJCEWRH-SJORKVTESA-N 1 0 363.465 2.931 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(N[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000159902409 508909108 /nfs/dbraw/zinc/90/91/08/508909108.db2.gz LGDHZRUTWIGGNH-KUHUBIRLSA-N 1 0 356.445 2.562 20 70 FFIDRO COC(=O)[C@@H](NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccnc1 ZINC000159904226 508909376 /nfs/dbraw/zinc/90/93/76/508909376.db2.gz YDPHBLSERBKRKO-BEFAXECRSA-N 1 0 354.454 2.506 20 70 FFIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000159927073 508912588 /nfs/dbraw/zinc/91/25/88/508912588.db2.gz WDZRRZRYQYUFKH-UHFFFAOYSA-N 1 0 356.470 2.507 20 70 FFIDRO CCOc1cccc(CNC(=O)N2CCC[N@H+](CC)CC2)c1OC(F)F ZINC000159970159 508919035 /nfs/dbraw/zinc/91/90/35/508919035.db2.gz ZJEIOTJSRDNUFE-UHFFFAOYSA-N 1 0 371.428 2.924 20 70 FFIDRO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159993294 508921284 /nfs/dbraw/zinc/92/12/84/508921284.db2.gz CLDAOHRDXDGNLY-PKOBYXMFSA-N 1 0 362.514 2.930 20 70 FFIDRO [NH3+]CCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000160004083 508924332 /nfs/dbraw/zinc/92/43/32/508924332.db2.gz BVWHCYCLTXUBJQ-UHFFFAOYSA-N 1 0 352.360 2.847 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)nc1)c1ccsc1 ZINC000160032427 508928383 /nfs/dbraw/zinc/92/83/83/508928383.db2.gz DPZQRUWCLLRZMG-MRXNPFEDSA-N 1 0 360.483 2.589 20 70 FFIDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000160075526 508935308 /nfs/dbraw/zinc/93/53/08/508935308.db2.gz MMOFEPIURTVODC-HNNXBMFYSA-N 1 0 353.422 2.610 20 70 FFIDRO COc1ccc(CCCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(OC)c1 ZINC000160092498 508937183 /nfs/dbraw/zinc/93/71/83/508937183.db2.gz WDEQZYKZIOJSNP-HKUYNNGSSA-N 1 0 360.498 2.969 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000160100699 508938023 /nfs/dbraw/zinc/93/80/23/508938023.db2.gz AYRDIDFOVPLCIH-BPUTZDHNSA-N 1 0 370.415 2.772 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000160125699 508941891 /nfs/dbraw/zinc/94/18/91/508941891.db2.gz BYSKEMWYASBPSO-SFHVURJKSA-N 1 0 367.534 2.872 20 70 FFIDRO C[NH+](C)[C@H](CNS(=O)(=O)Cc1c(F)cccc1F)Cc1ccccc1 ZINC000160129544 508942737 /nfs/dbraw/zinc/94/27/37/508942737.db2.gz RZMYUHZAXAGALR-HNNXBMFYSA-N 1 0 368.449 2.557 20 70 FFIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000160153313 508946690 /nfs/dbraw/zinc/94/66/90/508946690.db2.gz YGZUCDWTQJXZII-HUUCEWRRSA-N 1 0 371.447 2.636 20 70 FFIDRO CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000160169688 508949004 /nfs/dbraw/zinc/94/90/04/508949004.db2.gz GJCBJXPVTGWSNJ-QGZVFWFLSA-N 1 0 350.484 2.528 20 70 FFIDRO C[C@@H](CSc1ccc(F)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160183366 508950609 /nfs/dbraw/zinc/95/06/09/508950609.db2.gz SHMAHDVHWBZLJK-HOCLYGCPSA-N 1 0 354.491 2.517 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000160272890 508963133 /nfs/dbraw/zinc/96/31/33/508963133.db2.gz UJAPFZPPCORQJD-UHFFFAOYSA-N 1 0 359.514 2.559 20 70 FFIDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000160290726 508965831 /nfs/dbraw/zinc/96/58/31/508965831.db2.gz WLKZEDYUKSQTLD-AWEZNQCLSA-N 1 0 370.428 2.501 20 70 FFIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000160326169 508971169 /nfs/dbraw/zinc/97/11/69/508971169.db2.gz DIWBNCPEBLSOIN-BQFCYCMXSA-N 1 0 365.543 2.763 20 70 FFIDRO Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCC[C@H]2C[NH3+])c2ccccc2)cc1 ZINC000160358886 508976121 /nfs/dbraw/zinc/97/61/21/508976121.db2.gz HYGHAZYQJJGROG-PMACEKPBSA-N 1 0 365.477 2.806 20 70 FFIDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccn(CC(F)(F)F)n1 ZINC000160387952 508979751 /nfs/dbraw/zinc/97/97/51/508979751.db2.gz PNHGMVQJBAYEGO-UHFFFAOYSA-N 1 0 367.375 2.625 20 70 FFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(OCc3nccn3C)cc1)CC2 ZINC000160394446 508980890 /nfs/dbraw/zinc/98/08/90/508980890.db2.gz AERCJJJYVRHJDT-YOEHRIQHSA-N 1 0 366.469 2.565 20 70 FFIDRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160435960 508987055 /nfs/dbraw/zinc/98/70/55/508987055.db2.gz BAFWBRLPNNSWBX-RDJZCZTQSA-N 1 0 351.516 2.779 20 70 FFIDRO CC(C)Cc1nc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000160513643 508997403 /nfs/dbraw/zinc/99/74/03/508997403.db2.gz MPEBKCKSUKIRPC-IRXDYDNUSA-N 1 0 365.543 2.839 20 70 FFIDRO O=C(Cc1ccc(Cl)cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160558550 509002766 /nfs/dbraw/zinc/00/27/66/509002766.db2.gz KHUMFTQNRNDTHJ-QZTJIDSGSA-N 1 0 350.890 2.767 20 70 FFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000160612961 509009940 /nfs/dbraw/zinc/00/99/40/509009940.db2.gz UCVMRZYFRHHFIF-QZTJIDSGSA-N 1 0 371.481 2.789 20 70 FFIDRO CC(C)NC(=O)c1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000160670300 509017540 /nfs/dbraw/zinc/01/75/40/509017540.db2.gz RUVDIQPUHBBEBH-IAGOWNOFSA-N 1 0 359.514 2.923 20 70 FFIDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NOCC(C)C ZINC000160679658 509019103 /nfs/dbraw/zinc/01/91/03/509019103.db2.gz GHNDOCCVCCNQEY-UHFFFAOYSA-N 1 0 350.463 2.546 20 70 FFIDRO O=C(Cc1ccccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160698555 509021729 /nfs/dbraw/zinc/02/17/29/509021729.db2.gz FCEOFSGQNDPOCO-MSOLQXFVSA-N 1 0 350.890 2.767 20 70 FFIDRO CCc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160700299 509021914 /nfs/dbraw/zinc/02/19/14/509021914.db2.gz GVNVXGSRVJPLDZ-VQTJNVASSA-N 1 0 360.498 2.512 20 70 FFIDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160881827 509043788 /nfs/dbraw/zinc/04/37/88/509043788.db2.gz UEMPWMDTYCFTID-UKRRQHHQSA-N 1 0 366.469 2.900 20 70 FFIDRO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000160927591 509049146 /nfs/dbraw/zinc/04/91/46/509049146.db2.gz LAJZCYMIXNRPLN-UHFFFAOYSA-N 1 0 362.440 2.840 20 70 FFIDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCCn2cccn2)CC1 ZINC000160933271 509050315 /nfs/dbraw/zinc/05/03/15/509050315.db2.gz ROFCTEROPDBMTG-GOSISDBHSA-N 1 0 361.534 2.959 20 70 FFIDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000161021079 509060657 /nfs/dbraw/zinc/06/06/57/509060657.db2.gz VFQIUWBMZLVZML-HNNXBMFYSA-N 1 0 365.477 2.631 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)CCC(=O)c2ccc(OC)c(F)c2)CC1 ZINC000161031256 509062332 /nfs/dbraw/zinc/06/23/32/509062332.db2.gz YOFKQMMTCJIZSO-UHFFFAOYSA-N 1 0 350.434 2.645 20 70 FFIDRO CCOCCC1(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000161038955 509063117 /nfs/dbraw/zinc/06/31/17/509063117.db2.gz WESYKGRKDWMEER-UHFFFAOYSA-N 1 0 374.529 2.942 20 70 FFIDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCn2ccnc2C1 ZINC000161040018 509063850 /nfs/dbraw/zinc/06/38/50/509063850.db2.gz QVDDUQVVPOTCQZ-INIZCTEOSA-N 1 0 370.522 2.941 20 70 FFIDRO O=C(C[C@H]1C[NH2+]CCO1)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000161056569 509066107 /nfs/dbraw/zinc/06/61/07/509066107.db2.gz YVNKFDSPQRHERN-AWEZNQCLSA-N 1 0 362.376 2.752 20 70 FFIDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000161062851 509066600 /nfs/dbraw/zinc/06/66/00/509066600.db2.gz SWWJQWNBEVBVRA-UHFFFAOYSA-N 1 0 359.392 2.800 20 70 FFIDRO COc1ccc(Br)cc1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000161073326 509067127 /nfs/dbraw/zinc/06/71/27/509067127.db2.gz DXXLPUBHVVKWMI-LBPRGKRZSA-N 1 0 355.276 2.919 20 70 FFIDRO COc1cc(C[N@H+](C)Cc2ccc(F)cc2)cc(Cl)c1OCC(N)=O ZINC000161144162 509076937 /nfs/dbraw/zinc/07/69/37/509076937.db2.gz OQIUTKWVXUKOKU-UHFFFAOYSA-N 1 0 366.820 2.984 20 70 FFIDRO CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000161187430 509082640 /nfs/dbraw/zinc/08/26/40/509082640.db2.gz QTNHFVBDPAGDST-MRXNPFEDSA-N 1 0 363.465 2.942 20 70 FFIDRO Cc1c(NC(=O)C(=O)NCC[NH+]2CCCCC2)cccc1C(F)(F)F ZINC000161188982 509083485 /nfs/dbraw/zinc/08/34/85/509083485.db2.gz HCYLUGXGDWPYLR-UHFFFAOYSA-N 1 0 357.376 2.554 20 70 FFIDRO CC(C)CCn1ccc(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000161226086 509089049 /nfs/dbraw/zinc/08/90/49/509089049.db2.gz BBDUNBVWOQMJNJ-IYBDPMFKSA-N 1 0 351.495 2.550 20 70 FFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000161277622 509095919 /nfs/dbraw/zinc/09/59/19/509095919.db2.gz XJSXXHQYORZSSO-KRWDZBQOSA-N 1 0 367.921 2.595 20 70 FFIDRO O=S1(=O)CC[C@@H]([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000161295254 509098454 /nfs/dbraw/zinc/09/84/54/509098454.db2.gz JBOHPMGPFUQFDU-MRXNPFEDSA-N 1 0 365.445 2.895 20 70 FFIDRO COCC1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000161302666 509099967 /nfs/dbraw/zinc/09/99/67/509099967.db2.gz TVIAWBKTLUIKRG-INIZCTEOSA-N 1 0 360.502 2.675 20 70 FFIDRO CC[NH+](CC)[C@H]1CCN(CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)C1 ZINC000161322449 509102014 /nfs/dbraw/zinc/10/20/14/509102014.db2.gz FQTXNLKFRZWERK-HNNXBMFYSA-N 1 0 357.454 2.553 20 70 FFIDRO Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1I ZINC000161323554 509102284 /nfs/dbraw/zinc/10/22/84/509102284.db2.gz UXIOUXKGUKWDDX-GHMZBOCLSA-N 1 0 358.223 2.599 20 70 FFIDRO Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161384197 509109013 /nfs/dbraw/zinc/10/90/13/509109013.db2.gz GSUMHGNVJHHJGR-MRXNPFEDSA-N 1 0 357.376 2.615 20 70 FFIDRO CNC(=O)c1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000161397510 509111373 /nfs/dbraw/zinc/11/13/73/509111373.db2.gz UXBBQMDYWPFXCF-KXBFYZLASA-N 1 0 366.465 2.688 20 70 FFIDRO Cc1onc(-c2ccncc2)c1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000161450987 509116978 /nfs/dbraw/zinc/11/69/78/509116978.db2.gz MCECFHUKJQBHFE-UHFFFAOYSA-N 1 0 350.422 2.907 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](COC)Cc2ccccc2)c1 ZINC000161450410 509117075 /nfs/dbraw/zinc/11/70/75/509117075.db2.gz FEOWKKLVRBQTHO-CRAIPNDOSA-N 1 0 362.495 2.503 20 70 FFIDRO C[C@H](CCNC(=O)Nc1cccc(-c2ncn(C)n2)c1)[NH+]1CCCCC1 ZINC000161473059 509119915 /nfs/dbraw/zinc/11/99/15/509119915.db2.gz OVYKHNVKLCSKKK-OAHLLOKOSA-N 1 0 356.474 2.868 20 70 FFIDRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000217511403 509269691 /nfs/dbraw/zinc/26/96/91/509269691.db2.gz JDJPLAUGWNPIPA-FUHWJXTLSA-N 1 0 374.506 2.976 20 70 FFIDRO CCOc1ccc(CN2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000218769140 509282247 /nfs/dbraw/zinc/28/22/47/509282247.db2.gz NBDKFEGMBXLRRY-NRFANRHFSA-N 1 0 354.494 2.807 20 70 FFIDRO CC[NH+](CC)CCNC(=O)c1cccc(N[C@@H](C)CCn2cccn2)c1 ZINC000159411572 508838268 /nfs/dbraw/zinc/83/82/68/508838268.db2.gz OYSUYQXPIBBXBP-KRWDZBQOSA-N 1 0 357.502 2.845 20 70 FFIDRO Cc1ccc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1F ZINC000159417286 508839305 /nfs/dbraw/zinc/83/93/05/508839305.db2.gz FJDFXPBFJQBWPK-JWTNVVGKSA-N 1 0 360.477 2.909 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000159480858 508847704 /nfs/dbraw/zinc/84/77/04/508847704.db2.gz TYRXGZRJTHOKAX-LBPRGKRZSA-N 1 0 355.841 2.512 20 70 FFIDRO Cc1c(C(=O)NCC2([NH3+])CCCCC2)nnn1-c1ccc(OC(C)C)cc1 ZINC000159544240 508856546 /nfs/dbraw/zinc/85/65/46/508856546.db2.gz UXMBHZVKBLMASC-UHFFFAOYSA-N 1 0 371.485 2.754 20 70 FFIDRO CCOC(=O)CCc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000159607588 508865178 /nfs/dbraw/zinc/86/51/78/508865178.db2.gz RTWYGEWHNUQLQP-UHFFFAOYSA-N 1 0 359.470 2.931 20 70 FFIDRO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159672886 508874284 /nfs/dbraw/zinc/87/42/84/508874284.db2.gz BFBPSEHTPISAOR-ZBFHGGJFSA-N 1 0 369.303 2.500 20 70 FFIDRO CC(C)C[C@H](CCO)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159785321 508890050 /nfs/dbraw/zinc/89/00/50/508890050.db2.gz OALJKMPQHUISKQ-IHPCNDPISA-N 1 0 361.530 2.851 20 70 FFIDRO C[C@H](CCNC(=O)c1cccc2[nH]c(=O)oc21)[N@H+](C)Cc1ccccc1 ZINC000159818739 508895260 /nfs/dbraw/zinc/89/52/60/508895260.db2.gz NDGQCBQNRMNUQH-CQSZACIVSA-N 1 0 353.422 2.762 20 70 FFIDRO Cc1cc(C)cc(N2CC[C@H](C(=O)N3CCC([NH2+]CC4CC4)CC3)C2=O)c1 ZINC000159820199 508896275 /nfs/dbraw/zinc/89/62/75/508896275.db2.gz BZJMCGSHIUCHAE-HXUWFJFHSA-N 1 0 369.509 2.647 20 70 FFIDRO O=C(Cc1ccccc1Br)N1CCC([NH2+]CC2CC2)CC1 ZINC000159829373 508897630 /nfs/dbraw/zinc/89/76/30/508897630.db2.gz FLMOPACAMZYWHW-UHFFFAOYSA-N 1 0 351.288 2.982 20 70 FFIDRO COC(=O)CCCOc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000159829048 508897962 /nfs/dbraw/zinc/89/79/62/508897962.db2.gz CQRBQTAOLUBFHO-JLSDUUJJSA-N 1 0 360.454 2.878 20 70 FFIDRO COc1cccc(CNC(=O)[C@H]([NH3+])CCSC)c1OC1CCCC1 ZINC000159858019 508901798 /nfs/dbraw/zinc/90/17/98/508901798.db2.gz YGFVUXKRFBMFDN-OAHLLOKOSA-N 1 0 352.500 2.713 20 70 FFIDRO CC(C)[NH+]1CCN(C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CC1 ZINC000159886855 508906670 /nfs/dbraw/zinc/90/66/70/508906670.db2.gz QFSBEUZXRYKOCE-UHFFFAOYSA-N 1 0 363.546 2.794 20 70 FFIDRO O=C(CCSc1ccc(Cl)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159984958 508920853 /nfs/dbraw/zinc/92/08/53/508920853.db2.gz SWMYUHMKVKFSAI-OAHLLOKOSA-N 1 0 356.919 2.785 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc2c3c([nH]c21)CCCC3 ZINC000159995248 508922752 /nfs/dbraw/zinc/92/27/52/508922752.db2.gz PYSQFPACVKVYLC-HNNXBMFYSA-N 1 0 355.482 2.623 20 70 FFIDRO CCc1ncsc1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000160043829 508929834 /nfs/dbraw/zinc/92/98/34/508929834.db2.gz IYKPQJLFFHYTOK-UHFFFAOYSA-N 1 0 359.495 2.592 20 70 FFIDRO Cc1nn(C)c2ncc(CNc3ccc(OC4CC[NH+](C)CC4)nc3)cc12 ZINC000160086774 508936586 /nfs/dbraw/zinc/93/65/86/508936586.db2.gz ZKXPGRZUCCOQFY-UHFFFAOYSA-N 1 0 366.469 2.757 20 70 FFIDRO CC(C)CC[C@@H]1CCC(=O)N(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000160122003 508940962 /nfs/dbraw/zinc/94/09/62/508940962.db2.gz RYDGDGJOROILPH-UYAOXDASSA-N 1 0 372.509 2.607 20 70 FFIDRO C[C@@H](CC(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000160152117 508946127 /nfs/dbraw/zinc/94/61/27/508946127.db2.gz HDQQQDUDNYJZHG-GJZGRUSLSA-N 1 0 371.447 2.951 20 70 FFIDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC000160179880 508950824 /nfs/dbraw/zinc/95/08/24/508950824.db2.gz HWZDIIDEHIAQSD-MRXNPFEDSA-N 1 0 352.500 2.643 20 70 FFIDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CCCOC(C)C)C2)cc1 ZINC000160186888 508951359 /nfs/dbraw/zinc/95/13/59/508951359.db2.gz JVVGVORWQBFPNM-GOSISDBHSA-N 1 0 368.543 2.800 20 70 FFIDRO O=C(CCCOCc1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160200285 508953517 /nfs/dbraw/zinc/95/35/17/508953517.db2.gz GVECQACERASDRA-RTWAWAEBSA-N 1 0 374.525 2.868 20 70 FFIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCN1c2ccccc2CCC1=O ZINC000160245928 508959951 /nfs/dbraw/zinc/95/99/51/508959951.db2.gz YZHIFXVTXZGPEM-SFHVURJKSA-N 1 0 357.498 2.737 20 70 FFIDRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160245129 508960295 /nfs/dbraw/zinc/96/02/95/508960295.db2.gz ZSPMJHXXCCZNNN-ZWKOTPCHSA-N 1 0 362.514 2.849 20 70 FFIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)CCC(=O)OC(C)(C)C)C1 ZINC000160286819 508965038 /nfs/dbraw/zinc/96/50/38/508965038.db2.gz UZSOOVUAYJJTGG-HZPDHXFCSA-N 1 0 355.523 2.728 20 70 FFIDRO COc1ccccc1/C(C)=C/C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160297820 508966701 /nfs/dbraw/zinc/96/67/01/508966701.db2.gz SKSJYZVWWBCCFU-KTEGJIGUSA-N 1 0 372.509 2.983 20 70 FFIDRO Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2C[NH3+])c2ccccc2)cc1 ZINC000160358614 508975256 /nfs/dbraw/zinc/97/52/56/508975256.db2.gz HYGHAZYQJJGROG-UXHICEINSA-N 1 0 365.477 2.806 20 70 FFIDRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160355959 508975259 /nfs/dbraw/zinc/97/52/59/508975259.db2.gz AQNARVYZGJOXBI-UKRRQHHQSA-N 1 0 356.919 2.784 20 70 FFIDRO CCC[C@H]1CN(C(=O)Nc2cnc(C(C)(C)C)nc2)CC[N@@H+]1CCOC ZINC000160382090 508978389 /nfs/dbraw/zinc/97/83/89/508978389.db2.gz DUZNSNUFPNRFFM-INIZCTEOSA-N 1 0 363.506 2.739 20 70 FFIDRO COCC[NH+]1CCC(NC(=O)[C@@H](C)CSCc2ccccc2)CC1 ZINC000160379079 508978679 /nfs/dbraw/zinc/97/86/79/508978679.db2.gz MEFWTOQQSLTZKL-INIZCTEOSA-N 1 0 350.528 2.783 20 70 FFIDRO O=C(CSc1ccc(F)cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160400026 508981728 /nfs/dbraw/zinc/98/17/28/508981728.db2.gz JNKRGGLYSFGDII-ZWKOTPCHSA-N 1 0 366.502 2.802 20 70 FFIDRO C[NH+](C)CCCC1CCN(C(=O)NC2CCN(c3ccccn3)CC2)CC1 ZINC000160434056 508986726 /nfs/dbraw/zinc/98/67/26/508986726.db2.gz GAHRYGNNESLOIZ-UHFFFAOYSA-N 1 0 373.545 2.814 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)[nH]c(C(=O)OC)c1C)CC(C)C ZINC000160457166 508989633 /nfs/dbraw/zinc/98/96/33/508989633.db2.gz QLRJAIGDGVMFNM-OAHLLOKOSA-N 1 0 351.491 2.904 20 70 FFIDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160497583 508995587 /nfs/dbraw/zinc/99/55/87/508995587.db2.gz XVLZHTCENXHQJH-RTBURBONSA-N 1 0 363.477 2.857 20 70 FFIDRO O=C(NCCOCc1ccc(Cl)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000160504881 508996412 /nfs/dbraw/zinc/99/64/12/508996412.db2.gz YWQFLZBGYQAYMG-QGZVFWFLSA-N 1 0 351.878 2.736 20 70 FFIDRO O=C(Cc1ccc(Cl)cc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160558428 509003119 /nfs/dbraw/zinc/00/31/19/509003119.db2.gz KHUMFTQNRNDTHJ-ROUUACIJSA-N 1 0 350.890 2.767 20 70 FFIDRO O=C(CCCc1cccs1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160565954 509003786 /nfs/dbraw/zinc/00/37/86/509003786.db2.gz QBCMTHWHZHOGDY-MSOLQXFVSA-N 1 0 350.528 2.955 20 70 FFIDRO CC[C@@](C)(O)C[NH+]1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000160580575 509005593 /nfs/dbraw/zinc/00/55/93/509005593.db2.gz FGJHEJDNTLYBOR-OXQOHEQNSA-N 1 0 358.486 2.885 20 70 FFIDRO O=C(NCc1ccccc1COc1ccccc1Cl)[C@H]1C[NH2+]CCO1 ZINC000160616164 509010664 /nfs/dbraw/zinc/01/06/64/509010664.db2.gz DBWGPVHESMMULD-GOSISDBHSA-N 1 0 360.841 2.524 20 70 FFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000160655887 509015469 /nfs/dbraw/zinc/01/54/69/509015469.db2.gz MFFUVQDVXZCQDC-VQTJNVASSA-N 1 0 357.498 2.862 20 70 FFIDRO CCc1ccccc1OCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160668688 509016907 /nfs/dbraw/zinc/01/69/07/509016907.db2.gz GLEODSBZQSDOKU-MOPGFXCFSA-N 1 0 360.498 2.512 20 70 FFIDRO Cc1cccc(C)c1OCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160693558 509021119 /nfs/dbraw/zinc/02/11/19/509021119.db2.gz KGWFJDGJEAJCHZ-OALUTQOASA-N 1 0 360.498 2.566 20 70 FFIDRO CN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000160700084 509022074 /nfs/dbraw/zinc/02/20/74/509022074.db2.gz QWIFHVVVTPUCHS-UYAOXDASSA-N 1 0 356.514 2.781 20 70 FFIDRO CN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000160700209 509022180 /nfs/dbraw/zinc/02/21/80/509022180.db2.gz QWIFHVVVTPUCHS-QUCCMNQESA-N 1 0 356.514 2.781 20 70 FFIDRO Cc1cnccc1CCNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000160713443 509023645 /nfs/dbraw/zinc/02/36/45/509023645.db2.gz GXGSRHLWJHCJSM-UHFFFAOYSA-N 1 0 370.497 2.762 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)c1ccccc1 ZINC000160768724 509030632 /nfs/dbraw/zinc/03/06/32/509030632.db2.gz OMTMHQDKHSARBR-CYBMUJFWSA-N 1 0 355.364 2.870 20 70 FFIDRO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160779068 509031937 /nfs/dbraw/zinc/03/19/37/509031937.db2.gz WIAQNKQZUMCGMW-ZIFCJYIRSA-N 1 0 353.890 2.845 20 70 FFIDRO C[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000160886027 509043600 /nfs/dbraw/zinc/04/36/00/509043600.db2.gz SFBHRDBNNAOSEI-DLBZAZTESA-N 1 0 350.470 2.833 20 70 FFIDRO O=C(NC[C@@H](O)c1ccsc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000160901149 509045593 /nfs/dbraw/zinc/04/55/93/509045593.db2.gz ANPJHHIYWKZZTR-JKSUJKDBSA-N 1 0 363.483 2.901 20 70 FFIDRO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000160912699 509047228 /nfs/dbraw/zinc/04/72/28/509047228.db2.gz QWZMRIDQKAGWQN-UHFFFAOYSA-N 1 0 362.905 2.886 20 70 FFIDRO COC(=O)c1csc(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000160968917 509054933 /nfs/dbraw/zinc/05/49/33/509054933.db2.gz HWDVHMCUYUGYGB-UHFFFAOYSA-N 1 0 365.430 2.927 20 70 FFIDRO CN(CC[NH+](C)C)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000160975733 509055729 /nfs/dbraw/zinc/05/57/29/509055729.db2.gz SLEYHLGQCIPFTK-UHFFFAOYSA-N 1 0 350.463 2.737 20 70 FFIDRO Cc1ccc(C[C@@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)C(C)C)cc1 ZINC000161032134 509062502 /nfs/dbraw/zinc/06/25/02/509062502.db2.gz BLSHXZSCWCIUKV-HXUWFJFHSA-N 1 0 367.493 2.567 20 70 FFIDRO CC(C)C[C@H](CO)NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000161168008 509079513 /nfs/dbraw/zinc/07/95/13/509079513.db2.gz AHSPBAQIBYGBSJ-SJLPKXTDSA-N 1 0 372.431 2.964 20 70 FFIDRO CC(C)c1noc(CCCNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000161172277 509080320 /nfs/dbraw/zinc/08/03/20/509080320.db2.gz DNFRYFBYYOKYBS-QGZVFWFLSA-N 1 0 373.501 2.598 20 70 FFIDRO O=C(CCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)NC1CCCC1 ZINC000161171123 509080653 /nfs/dbraw/zinc/08/06/53/509080653.db2.gz XTZHCLYVKKHRIJ-UHFFFAOYSA-N 1 0 357.498 2.560 20 70 FFIDRO O=C(Cc1cccc(Cl)c1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161291487 509097294 /nfs/dbraw/zinc/09/72/94/509097294.db2.gz XXRBQUBRTSUQTD-UHFFFAOYSA-N 1 0 363.933 2.903 20 70 FFIDRO CCOc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3C[NH2+]C)cs2)cc1 ZINC000161312785 509100370 /nfs/dbraw/zinc/10/03/70/509100370.db2.gz VGXCTAHPYOALJO-MRXNPFEDSA-N 1 0 359.495 2.962 20 70 FFIDRO Cc1ccc([C@H](C[NH2+]C2CCC3(CC2)OCCO3)N2CCOCC2)cc1 ZINC000161322826 509102135 /nfs/dbraw/zinc/10/21/35/509102135.db2.gz RHZWRRPEQAORGT-FQEVSTJZSA-N 1 0 360.498 2.644 20 70 FFIDRO CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000161351703 509105225 /nfs/dbraw/zinc/10/52/25/509105225.db2.gz TVARAIWLUGUJGV-CQSZACIVSA-N 1 0 374.462 2.821 20 70 FFIDRO CN(C(=O)COc1ccc(Br)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161370281 509108014 /nfs/dbraw/zinc/10/80/14/509108014.db2.gz PKGZBNPFTYEWTA-FUNVUKJBSA-N 1 0 371.250 2.708 20 70 FFIDRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000161381868 509109139 /nfs/dbraw/zinc/10/91/39/509109139.db2.gz WFAZHQBVEDKLHS-FHERZECASA-N 1 0 351.441 2.828 20 70 FFIDRO Cc1ccc([C@H](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)[NH+](C)C)cc1 ZINC000161379277 509109395 /nfs/dbraw/zinc/10/93/95/509109395.db2.gz ZBWLUCRDVZMHCU-FQEVSTJZSA-N 1 0 365.477 2.920 20 70 FFIDRO O=C(CN1CCC([C@@H](O)C(F)(F)F)CC1)NCc1ccc(Cl)s1 ZINC000161446673 509116549 /nfs/dbraw/zinc/11/65/49/509116549.db2.gz VVZMNQCMWKSCGW-CYBMUJFWSA-N 1 0 370.824 2.653 20 70 FFIDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)CC1 ZINC000161506694 509123115 /nfs/dbraw/zinc/12/31/15/509123115.db2.gz DWEJBMFWFDIKFJ-UHFFFAOYSA-N 1 0 370.497 2.640 20 70 FFIDRO COc1cccc([C@@H](CNC(=O)c2cc(OC)ccc2O)[NH+]2CCCC2)c1 ZINC000218525236 509278556 /nfs/dbraw/zinc/27/85/56/509278556.db2.gz PTQHIWCMHBDAIE-LJQANCHMSA-N 1 0 370.449 2.976 20 70 FFIDRO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000159426693 508840668 /nfs/dbraw/zinc/84/06/68/508840668.db2.gz OKOBNAPFCWIUKU-FZKQIMNGSA-N 1 0 357.433 2.565 20 70 FFIDRO CC(C)N(CC[NH+](C)C)C(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000159434121 508841670 /nfs/dbraw/zinc/84/16/70/508841670.db2.gz YDBBREGOHALOFB-UHFFFAOYSA-N 1 0 366.472 2.632 20 70 FFIDRO Cc1nc(C)c(CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000159441470 508842215 /nfs/dbraw/zinc/84/22/15/508842215.db2.gz KQLCXEYDAOJBNK-INIZCTEOSA-N 1 0 350.532 2.962 20 70 FFIDRO Cc1ccccc1OCCC[N@@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000159446942 508843031 /nfs/dbraw/zinc/84/30/31/508843031.db2.gz DTWGVDRSOCVNIR-GOSISDBHSA-N 1 0 356.470 2.625 20 70 FFIDRO O=C(CNC(=O)CC1CCCC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000159600387 508863629 /nfs/dbraw/zinc/86/36/29/508863629.db2.gz JQMREIDQPOUYJB-IBGZPJMESA-N 1 0 357.498 2.636 20 70 FFIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159614755 508866303 /nfs/dbraw/zinc/86/63/03/508866303.db2.gz OPLKAPFAUXYTOH-SKDRFNHKSA-N 1 0 354.863 2.648 20 70 FFIDRO CC(C)N(CC[NH+](C)C)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000159702130 508877420 /nfs/dbraw/zinc/87/74/20/508877420.db2.gz ULCZAUBWDUBWNJ-UHFFFAOYSA-N 1 0 363.289 2.749 20 70 FFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1ccccc1CN1CCCC1=O ZINC000159712809 508879074 /nfs/dbraw/zinc/87/90/74/508879074.db2.gz CUVUZDCXBOWKIF-PXNSSMCTSA-N 1 0 369.509 2.690 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000159712010 508879090 /nfs/dbraw/zinc/87/90/90/508879090.db2.gz DMLUUHRKZRYWNB-UHFFFAOYSA-N 1 0 366.893 2.796 20 70 FFIDRO COc1ncccc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000159844377 508899262 /nfs/dbraw/zinc/89/92/62/508899262.db2.gz YJTVEEBYCQBNQP-UHFFFAOYSA-N 1 0 355.438 2.547 20 70 FFIDRO CN(Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C[C@@H]1CCC[C@@H]1O ZINC000159863192 508902320 /nfs/dbraw/zinc/90/23/20/508902320.db2.gz ISAISHXMXUHWPX-AAEUAGOBSA-N 1 0 359.451 2.837 20 70 FFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000159913554 508910094 /nfs/dbraw/zinc/91/00/94/508910094.db2.gz WYJNDYHYFIKFBS-DNVCBOLYSA-N 1 0 372.490 2.936 20 70 FFIDRO CCCN(C(=O)C[C@H]1COC(=O)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159947669 508916119 /nfs/dbraw/zinc/91/61/19/508916119.db2.gz RWTJEPYRUWHNMN-MOPGFXCFSA-N 1 0 358.482 2.843 20 70 FFIDRO C[C@H]1C[C@H](N(C)S(=O)(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000160002185 508923382 /nfs/dbraw/zinc/92/33/82/508923382.db2.gz WFRAQJLZDVJQAC-PKOBYXMFSA-N 1 0 365.543 2.702 20 70 FFIDRO CC[NH+]1CCN(CCC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)CC1 ZINC000160021576 508926788 /nfs/dbraw/zinc/92/67/88/508926788.db2.gz LKIXWANHVGTSKB-QFIPXVFZSA-N 1 0 366.509 2.623 20 70 FFIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000160028468 508927743 /nfs/dbraw/zinc/92/77/43/508927743.db2.gz IITKACRDFQSVHZ-LSDHHAIUSA-N 1 0 360.502 2.691 20 70 FFIDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccnc1-c1ccccc1)[NH+](C)C ZINC000160042050 508929018 /nfs/dbraw/zinc/92/90/18/508929018.db2.gz CALCYHDAMCXSFL-KRWDZBQOSA-N 1 0 368.481 2.780 20 70 FFIDRO O=C(CCc1ccc(-c2ccccc2F)o1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160128169 508943010 /nfs/dbraw/zinc/94/30/10/508943010.db2.gz DACJNACGRHHXST-INIZCTEOSA-N 1 0 374.456 2.981 20 70 FFIDRO O=S(=O)(Cc1ccc(Cl)nc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160155542 508946992 /nfs/dbraw/zinc/94/69/92/508946992.db2.gz NIVSYLHUFRZRIO-OAHLLOKOSA-N 1 0 357.907 2.515 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000160171704 508949371 /nfs/dbraw/zinc/94/93/71/508949371.db2.gz ZDALFWRAMSVYCQ-SJORKVTESA-N 1 0 354.853 2.977 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](CO)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160191879 508952217 /nfs/dbraw/zinc/95/22/17/508952217.db2.gz KNUUWSXRCHXJKD-JRGCBEDISA-N 1 0 367.493 2.725 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)N(CCO)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160203761 508953591 /nfs/dbraw/zinc/95/35/91/508953591.db2.gz NUFZTFHDLJRUKZ-WIYYLYMNSA-N 1 0 367.493 2.854 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(OC(F)F)c1 ZINC000160211815 508955197 /nfs/dbraw/zinc/95/51/97/508955197.db2.gz JXBPBIGSQYXKEW-SJORKVTESA-N 1 0 368.424 2.786 20 70 FFIDRO C[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000160219927 508955784 /nfs/dbraw/zinc/95/57/84/508955784.db2.gz CIRLDQVTKZORQI-VXGBXAGGSA-N 1 0 356.392 2.878 20 70 FFIDRO Cc1ccc(OCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000160243494 508958898 /nfs/dbraw/zinc/95/88/98/508958898.db2.gz LATUNMRBKNWNDM-VQTJNVASSA-N 1 0 374.525 2.956 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000160281332 508964951 /nfs/dbraw/zinc/96/49/51/508964951.db2.gz JQATZOYKCPIFDL-HOTGVXAUSA-N 1 0 353.532 2.510 20 70 FFIDRO CC[C@@H]([NH2+]Cc1cn(C)nc1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000160329909 508971822 /nfs/dbraw/zinc/97/18/22/508971822.db2.gz XCPGJJCZGBIEQP-LJQANCHMSA-N 1 0 370.497 2.971 20 70 FFIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000160371347 508977577 /nfs/dbraw/zinc/97/75/77/508977577.db2.gz LTXNRGYKIGLXRN-CVEARBPZSA-N 1 0 356.495 2.946 20 70 FFIDRO FC(F)(F)c1nnc2ccc(N3CCC[C@@H]3C[NH+]3CCCCC3)nn21 ZINC000160430913 508985769 /nfs/dbraw/zinc/98/57/69/508985769.db2.gz XLLNVKFCILQDSW-GFCCVEGCSA-N 1 0 354.380 2.598 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000160474688 508992225 /nfs/dbraw/zinc/99/22/25/508992225.db2.gz QNTGOXQPBFKFGG-HNNXBMFYSA-N 1 0 363.845 2.572 20 70 FFIDRO O=C(c1cccc2[nH]c(=O)oc21)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160491715 508994696 /nfs/dbraw/zinc/99/46/96/508994696.db2.gz GLNSJCQYRGLOCN-UHFFFAOYSA-N 1 0 357.454 2.849 20 70 FFIDRO Cc1cc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(-c2cccnc2)n1 ZINC000160496205 508994737 /nfs/dbraw/zinc/99/47/37/508994737.db2.gz XOTAGHRVOPGWEY-SCTDSRPQSA-N 1 0 367.497 2.925 20 70 FFIDRO O=C(Cc1c[nH]c2cc(F)ccc12)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160514036 508997412 /nfs/dbraw/zinc/99/74/12/508997412.db2.gz JOSGJMRBJRYZFT-UXHICEINSA-N 1 0 373.472 2.734 20 70 FFIDRO Cc1c(C(=O)NC2(c3cccc(Cl)c3)CC2)nnn1C1CC[NH2+]CC1 ZINC000160521786 508998035 /nfs/dbraw/zinc/99/80/35/508998035.db2.gz FPUVZSOXFCWBRJ-UHFFFAOYSA-N 1 0 359.861 2.584 20 70 FFIDRO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1Cl ZINC000160524907 508998537 /nfs/dbraw/zinc/99/85/37/508998537.db2.gz VHZYRJIUIBDENF-CMPLNLGQSA-N 1 0 350.850 2.923 20 70 FFIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(F)c(Br)c1 ZINC000160531091 508999537 /nfs/dbraw/zinc/99/95/37/508999537.db2.gz ARCAFODYIJQOBB-ZETCQYMHSA-N 1 0 357.145 2.917 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000160534062 508999614 /nfs/dbraw/zinc/99/96/14/508999614.db2.gz YHHDBAPQMQDKJR-UHFFFAOYSA-N 1 0 365.275 2.882 20 70 FFIDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 ZINC000160590220 509006847 /nfs/dbraw/zinc/00/68/47/509006847.db2.gz HWTHGLJXVNSGLW-INIZCTEOSA-N 1 0 359.514 2.811 20 70 FFIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000160625525 509011681 /nfs/dbraw/zinc/01/16/81/509011681.db2.gz LYZRNAVXZFXTJB-UHFFFAOYSA-N 1 0 362.470 2.988 20 70 FFIDRO Cc1nc(-c2cccs2)ccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160694888 509021865 /nfs/dbraw/zinc/02/18/65/509021865.db2.gz VDFASEMLHZFIAE-HNNXBMFYSA-N 1 0 359.495 2.695 20 70 FFIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)C(C3CC3)C3CC3)nc(N)c21 ZINC000160741171 509027558 /nfs/dbraw/zinc/02/75/58/509027558.db2.gz UAYWKPBKAJWASC-UHFFFAOYSA-N 1 0 358.442 2.911 20 70 FFIDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)([NH+](C)C)C1 ZINC000160779189 509031999 /nfs/dbraw/zinc/03/19/99/509031999.db2.gz AQAUADGKHBDJGY-QVKFZJNVSA-N 1 0 357.498 2.819 20 70 FFIDRO CCN(C(=O)NCCc1cscn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160820074 509036451 /nfs/dbraw/zinc/03/64/51/509036451.db2.gz IBSNHUXUGQWJRE-GOSISDBHSA-N 1 0 358.511 2.992 20 70 FFIDRO Cc1cc(N2CCOCC2)ccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000160840992 509039159 /nfs/dbraw/zinc/03/91/59/509039159.db2.gz MHADUBIGWLVINI-XLIONFOSSA-N 1 0 372.513 2.780 20 70 FFIDRO COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000160919049 509048051 /nfs/dbraw/zinc/04/80/51/509048051.db2.gz IJJWPVFTVRCDIX-GOSISDBHSA-N 1 0 367.449 2.706 20 70 FFIDRO CC(C)[NH+]1CCC(NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000160952471 509052648 /nfs/dbraw/zinc/05/26/48/509052648.db2.gz CMELFLITUZUDFB-QZTJIDSGSA-N 1 0 373.541 2.898 20 70 FFIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000160999668 509058804 /nfs/dbraw/zinc/05/88/04/509058804.db2.gz CHLDDUTVJBXNKG-AWEZNQCLSA-N 1 0 352.500 2.578 20 70 FFIDRO O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000161007854 509059634 /nfs/dbraw/zinc/05/96/34/509059634.db2.gz RNVHUNJZLIXKHT-GOSISDBHSA-N 1 0 372.490 2.740 20 70 FFIDRO C[C@@H](CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)C[NH+]1CCCC1 ZINC000161077467 509068288 /nfs/dbraw/zinc/06/82/88/509068288.db2.gz XPWBZXBOKONYNV-INIZCTEOSA-N 1 0 359.514 2.811 20 70 FFIDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1CCn2ccnc2C1 ZINC000161079271 509069022 /nfs/dbraw/zinc/06/90/22/509069022.db2.gz GIUNRBYZXHHWRA-QGZVFWFLSA-N 1 0 370.522 2.941 20 70 FFIDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cn(-c2ccccc2)nn1 ZINC000161124671 509074916 /nfs/dbraw/zinc/07/49/16/509074916.db2.gz BVSJQVSYGFETPZ-HZPDHXFCSA-N 1 0 368.485 2.644 20 70 FFIDRO COc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc(OC)c1O ZINC000161184788 509082453 /nfs/dbraw/zinc/08/24/53/509082453.db2.gz FNTUKPVNFFQMPL-UHFFFAOYSA-N 1 0 370.449 2.758 20 70 FFIDRO CN(C[C@H]1CCC[C@H]1O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000161193762 509084197 /nfs/dbraw/zinc/08/41/97/509084197.db2.gz ICLISGWALHCGKB-IAGOWNOFSA-N 1 0 369.575 2.541 20 70 FFIDRO CC(C)CCn1ccc(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000161226350 509089182 /nfs/dbraw/zinc/08/91/82/509089182.db2.gz BBDUNBVWOQMJNJ-HZPDHXFCSA-N 1 0 351.495 2.550 20 70 FFIDRO Cc1ccc(C(=O)N2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000161235133 509089542 /nfs/dbraw/zinc/08/95/42/509089542.db2.gz VABPZMBIYMBOGQ-UHFFFAOYSA-N 1 0 355.276 2.728 20 70 FFIDRO CCOCCC1(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCC1 ZINC000161258016 509093309 /nfs/dbraw/zinc/09/33/09/509093309.db2.gz PDMRDSIZJIQTFT-UHFFFAOYSA-N 1 0 373.541 2.761 20 70 FFIDRO CC(C)(C)[C@H](CCO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000161274659 509095480 /nfs/dbraw/zinc/09/54/80/509095480.db2.gz NOALLIMVKRKBJC-ZBFHGGJFSA-N 1 0 353.532 2.981 20 70 FFIDRO CC(C)(C)[C@@H](CCO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000161274539 509095995 /nfs/dbraw/zinc/09/59/95/509095995.db2.gz NOALLIMVKRKBJC-GDBMZVCRSA-N 1 0 353.532 2.981 20 70 FFIDRO C[C@]1(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CCC[NH2+]C1 ZINC000161293526 509098469 /nfs/dbraw/zinc/09/84/69/509098469.db2.gz ODERJERTSDTHQZ-SFHVURJKSA-N 1 0 359.451 2.910 20 70 FFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCN(CC(F)F)CC2)c1 ZINC000161312072 509100947 /nfs/dbraw/zinc/10/09/47/509100947.db2.gz AXANUXRBPATIAN-UHFFFAOYSA-N 1 0 368.472 2.621 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161390716 509110603 /nfs/dbraw/zinc/11/06/03/509110603.db2.gz SLIJJPKOTZQGBD-JWTNVVGKSA-N 1 0 358.486 2.502 20 70 FFIDRO COC(=O)CCSCc1cccc(NC(=O)[C@@H]2CCn3ccnc3C2)c1 ZINC000161400991 509111476 /nfs/dbraw/zinc/11/14/76/509111476.db2.gz CAOPNVCCKMPVMB-OAHLLOKOSA-N 1 0 373.478 2.881 20 70 FFIDRO O=C(CN1CCC([C@H](O)C(F)(F)F)CC1)NCc1ccc(Cl)s1 ZINC000161446543 509116327 /nfs/dbraw/zinc/11/63/27/509116327.db2.gz VVZMNQCMWKSCGW-ZDUSSCGKSA-N 1 0 370.824 2.653 20 70 FFIDRO COc1cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc(OC)c1O ZINC000161472040 509119761 /nfs/dbraw/zinc/11/97/61/509119761.db2.gz JQNGZBPDGQZNLM-UHFFFAOYSA-N 1 0 370.449 2.588 20 70 FFIDRO CC[C@H](NC(=O)Nc1ccc(CCN2CCOCC2)cc1)[C@H]1CCCO1 ZINC000161490055 509121481 /nfs/dbraw/zinc/12/14/81/509121481.db2.gz ROAHGZYCQYYYQD-RBUKOAKNSA-N 1 0 361.486 2.640 20 70 FFIDRO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(Br)c1 ZINC000159504468 508850832 /nfs/dbraw/zinc/85/08/32/508850832.db2.gz SFQNUHPPBROIDN-WFASDCNBSA-N 1 0 355.276 2.789 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000159516190 508852293 /nfs/dbraw/zinc/85/22/93/508852293.db2.gz PNLJNVCWEBIBHO-UHFFFAOYSA-N 1 0 361.486 2.813 20 70 FFIDRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(C)(C)c2ccc(Cl)cc2)CC1 ZINC000159565493 508859563 /nfs/dbraw/zinc/85/95/63/508859563.db2.gz GKKCUEHUMOHITD-KRWDZBQOSA-N 1 0 352.906 2.827 20 70 FFIDRO CC1CC[NH+](C[C@H](O)CNC(=O)C(C)(C)c2ccc(Cl)cc2)CC1 ZINC000159565364 508859898 /nfs/dbraw/zinc/85/98/98/508859898.db2.gz GKKCUEHUMOHITD-QGZVFWFLSA-N 1 0 352.906 2.827 20 70 FFIDRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000159582350 508861389 /nfs/dbraw/zinc/86/13/89/508861389.db2.gz LYAHJUNTICPMQY-GOSISDBHSA-N 1 0 373.478 2.664 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)CC1 ZINC000159595577 508863016 /nfs/dbraw/zinc/86/30/16/508863016.db2.gz JAPCGSMVWVMXAJ-UHFFFAOYSA-N 1 0 358.486 2.662 20 70 FFIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000159632219 508868708 /nfs/dbraw/zinc/86/87/08/508868708.db2.gz QDJMYHXPGPTTBD-GOEBONIOSA-N 1 0 363.889 2.987 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000159637620 508869521 /nfs/dbraw/zinc/86/95/21/508869521.db2.gz BXDURCREHWHLBI-HNNXBMFYSA-N 1 0 358.486 2.833 20 70 FFIDRO CCC(CC)n1nccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000159647476 508871275 /nfs/dbraw/zinc/87/12/75/508871275.db2.gz QYIRYRCHJPISKD-MJGOQNOKSA-N 1 0 362.518 2.742 20 70 FFIDRO CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159691963 508876474 /nfs/dbraw/zinc/87/64/74/508876474.db2.gz JMMNWFIZZPYRRW-HDICACEKSA-N 1 0 357.498 2.957 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCC2(c3ccccc3C)CCOCC2)CC1 ZINC000159747139 508883955 /nfs/dbraw/zinc/88/39/55/508883955.db2.gz GIIJBTZNDHDTPS-UHFFFAOYSA-N 1 0 359.514 2.780 20 70 FFIDRO C[C@@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000159772139 508888674 /nfs/dbraw/zinc/88/86/74/508888674.db2.gz BOJYFVAQZHSWTH-HNNXBMFYSA-N 1 0 361.449 2.648 20 70 FFIDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(Br)c1)CC2 ZINC000159794206 508891849 /nfs/dbraw/zinc/89/18/49/508891849.db2.gz QWOJSRVAUNJCMK-BXUZGUMPSA-N 1 0 365.275 2.853 20 70 FFIDRO COC(=O)CCCOc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000159828799 508897615 /nfs/dbraw/zinc/89/76/15/508897615.db2.gz CQRBQTAOLUBFHO-WBAXXEDZSA-N 1 0 360.454 2.878 20 70 FFIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000159830350 508898079 /nfs/dbraw/zinc/89/80/79/508898079.db2.gz ORDQOIMWDCDZIC-STQMWFEESA-N 1 0 370.844 2.994 20 70 FFIDRO COc1ccc(C(=O)CCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1OC ZINC000159850529 508900181 /nfs/dbraw/zinc/90/01/81/508900181.db2.gz WLBAVXSVWFVYGM-UHFFFAOYSA-N 1 0 374.481 2.657 20 70 FFIDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000159855744 508900878 /nfs/dbraw/zinc/90/08/78/508900878.db2.gz OBQIGJHPLHONKO-HZPDHXFCSA-N 1 0 367.852 2.575 20 70 FFIDRO Cc1c(C(=O)N2CCC([NH2+]CC3CC3)CC2)cnn1-c1ccccc1F ZINC000159855089 508900914 /nfs/dbraw/zinc/90/09/14/508900914.db2.gz AJVMNIWCBIVHPA-UHFFFAOYSA-N 1 0 356.445 2.924 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCCc1cccs1 ZINC000159901352 508908520 /nfs/dbraw/zinc/90/85/20/508908520.db2.gz KRHGHDFOKHAATG-LSDHHAIUSA-N 1 0 369.494 2.727 20 70 FFIDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccnn3CC)CC2)cc1 ZINC000159914764 508910848 /nfs/dbraw/zinc/91/08/48/508910848.db2.gz AKEQEXLLVTWNFO-UHFFFAOYSA-N 1 0 356.470 2.696 20 70 FFIDRO CC(C)c1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc2n1 ZINC000159923039 508911953 /nfs/dbraw/zinc/91/19/53/508911953.db2.gz GIKYLXCXSHNQPS-MRXNPFEDSA-N 1 0 355.482 2.935 20 70 FFIDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(N(C)C)nc2)C[N@@H+]1Cc1ccccc1 ZINC000159962950 508918635 /nfs/dbraw/zinc/91/86/35/508918635.db2.gz JNSSFICMVIBDLU-YJBOKZPZSA-N 1 0 353.470 2.932 20 70 FFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000159982591 508921063 /nfs/dbraw/zinc/92/10/63/508921063.db2.gz FFFBKVTUOOFZNG-GTAWCEEGSA-N 1 0 359.514 2.699 20 70 FFIDRO COCCCOc1cccc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000159996893 508922331 /nfs/dbraw/zinc/92/23/31/508922331.db2.gz RFNKRGQSIRUOAD-DOTOQJQBSA-N 1 0 361.486 2.526 20 70 FFIDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)c1 ZINC000160032916 508928304 /nfs/dbraw/zinc/92/83/04/508928304.db2.gz OKNYBZGCUQQHJG-UHFFFAOYSA-N 1 0 368.481 2.833 20 70 FFIDRO [NH3+]CCCNC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000160056689 508931470 /nfs/dbraw/zinc/93/14/70/508931470.db2.gz KFTSRRIQAIRZHG-UHFFFAOYSA-N 1 0 352.232 2.502 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(OCc2cccs2)c1 ZINC000160095936 508937997 /nfs/dbraw/zinc/93/79/97/508937997.db2.gz KDVAWYHVEDDNET-QGZVFWFLSA-N 1 0 374.506 2.904 20 70 FFIDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000160126953 508941784 /nfs/dbraw/zinc/94/17/84/508941784.db2.gz LLGUVEGQSBNOBX-SFHVURJKSA-N 1 0 353.466 2.661 20 70 FFIDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000160128744 508942717 /nfs/dbraw/zinc/94/27/17/508942717.db2.gz PMXPZBSEVIWQRS-CQSZACIVSA-N 1 0 352.360 2.715 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1csc(-c2ccc(F)cc2)n1 ZINC000160127994 508943002 /nfs/dbraw/zinc/94/30/02/508943002.db2.gz SRSRBPPQZUDCCD-OAHLLOKOSA-N 1 0 363.458 2.526 20 70 FFIDRO CC(C)CN(C(=O)c1cc2c([nH]c1=O)CCCCC2)C1CC[NH+](C)CC1 ZINC000160143931 508945186 /nfs/dbraw/zinc/94/51/86/508945186.db2.gz QHQHTOFUWPYFMW-UHFFFAOYSA-N 1 0 359.514 2.836 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000160250004 508960121 /nfs/dbraw/zinc/96/01/21/508960121.db2.gz CAVGPSQRWUBQBQ-KRWDZBQOSA-N 1 0 351.535 2.813 20 70 FFIDRO Cc1c(I)cccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160258140 508961888 /nfs/dbraw/zinc/96/18/88/508961888.db2.gz CWCOYNASGAXKEZ-TXEJJXNPSA-N 1 0 370.234 2.566 20 70 FFIDRO C[C@H](O)C[C@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000160274389 508963183 /nfs/dbraw/zinc/96/31/83/508963183.db2.gz SOPMFQICIVYMDQ-AZUAARDMSA-N 1 0 374.525 2.692 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000160271261 508963614 /nfs/dbraw/zinc/96/36/14/508963614.db2.gz ABPKQBOIGJZYDG-ACRUOGEOSA-N 1 0 352.478 2.906 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160322949 508969888 /nfs/dbraw/zinc/96/98/88/508969888.db2.gz XAQVWFAOFBYNBM-DUXKGJEZSA-N 1 0 367.493 2.552 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccnc2ccccc21 ZINC000160336319 508972577 /nfs/dbraw/zinc/97/25/77/508972577.db2.gz HIPKSSYAORCGFN-UXHICEINSA-N 1 0 353.466 2.733 20 70 FFIDRO COc1ccc([C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)c2ccccc2Cl)cc1 ZINC000160419637 508984728 /nfs/dbraw/zinc/98/47/28/508984728.db2.gz UUQRYGKOFXGWOB-OXQOHEQNSA-N 1 0 374.868 2.933 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](C2CCCCC2)N(C)C)cc1 ZINC000160419524 508984737 /nfs/dbraw/zinc/98/47/37/508984737.db2.gz KCKHLAUTHBYSIC-DNVCBOLYSA-N 1 0 367.559 2.756 20 70 FFIDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cncs1 ZINC000160425568 508984969 /nfs/dbraw/zinc/98/49/69/508984969.db2.gz IYGVDWHVMLOOPC-CYBMUJFWSA-N 1 0 351.497 2.778 20 70 FFIDRO CC[NH+](CC)CCN(CCOC)c1nc(-c2ccccn2)nc2c1CCC2 ZINC000160431485 508985945 /nfs/dbraw/zinc/98/59/45/508985945.db2.gz XCEWTNPIQHGYCP-UHFFFAOYSA-N 1 0 369.513 2.822 20 70 FFIDRO O=C(CCc1cc(Cl)cc(Cl)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160497786 508995617 /nfs/dbraw/zinc/99/56/17/508995617.db2.gz QUSKGBLCAAWIPT-INIZCTEOSA-N 1 0 359.297 2.889 20 70 FFIDRO Cc1c2cc(Cl)ccc2oc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160545927 509001163 /nfs/dbraw/zinc/00/11/63/509001163.db2.gz DGMOVWOYFGRMJM-UHFFFAOYSA-N 1 0 350.846 2.829 20 70 FFIDRO Cc1ccccc1SCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160593530 509007877 /nfs/dbraw/zinc/00/78/77/509007877.db2.gz RCIUZZRPLRTMMJ-QZTJIDSGSA-N 1 0 362.539 2.971 20 70 FFIDRO CCCc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nnn1-c1cccc(Cl)c1 ZINC000160634665 509012893 /nfs/dbraw/zinc/01/28/93/509012893.db2.gz COXXGTZJBWMCNL-GASCZTMLSA-N 1 0 373.888 2.840 20 70 FFIDRO COc1ccc(Br)c(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000160659635 509016231 /nfs/dbraw/zinc/01/62/31/509016231.db2.gz QSKPSAYMEXNTPM-JSGCOSHPSA-N 1 0 369.303 2.941 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000160686073 509020544 /nfs/dbraw/zinc/02/05/44/509020544.db2.gz FSZIVWWKSGFVAG-MRXNPFEDSA-N 1 0 370.415 2.700 20 70 FFIDRO COc1cccc(N2CC[NH+](Cc3ccccc3N3CCOCC3)CC2)c1 ZINC000160692990 509021024 /nfs/dbraw/zinc/02/10/24/509021024.db2.gz PIQQQOVHAJDWOB-UHFFFAOYSA-N 1 0 367.493 2.854 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(-c2ccc(Cl)s2)on1 ZINC000160692144 509021298 /nfs/dbraw/zinc/02/12/98/509021298.db2.gz GUUQYFNWDCWZHP-LLVKDONJSA-N 1 0 369.874 2.633 20 70 FFIDRO Cc1ccc(C)c(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160741188 509027577 /nfs/dbraw/zinc/02/75/77/509027577.db2.gz JFLDKXZXZPALHP-OALUTQOASA-N 1 0 360.498 2.566 20 70 FFIDRO Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000160744399 509027600 /nfs/dbraw/zinc/02/76/00/509027600.db2.gz OBATYTJWQHCLGB-INIZCTEOSA-N 1 0 371.506 2.636 20 70 FFIDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000160882160 509043361 /nfs/dbraw/zinc/04/33/61/509043361.db2.gz JEGDQCVWNKDDBT-OKILXGFUSA-N 1 0 359.470 2.618 20 70 FFIDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)N(C)Cc1ccccc1 ZINC000160885746 509043679 /nfs/dbraw/zinc/04/36/79/509043679.db2.gz SFBHRDBNNAOSEI-IRXDYDNUSA-N 1 0 350.470 2.833 20 70 FFIDRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)Cc1c(F)cccc1F ZINC000161008795 509059458 /nfs/dbraw/zinc/05/94/58/509059458.db2.gz PMRMDMHVRMSTBC-HNNXBMFYSA-N 1 0 368.449 2.557 20 70 FFIDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000161022894 509060544 /nfs/dbraw/zinc/06/05/44/509060544.db2.gz UQCBLOSQXVIBQN-LBPRGKRZSA-N 1 0 365.275 2.626 20 70 FFIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000161038300 509063030 /nfs/dbraw/zinc/06/30/30/509063030.db2.gz ALFLDGCGPMGZAO-XUVXKRRUSA-N 1 0 354.450 2.877 20 70 FFIDRO CCC(=O)N1CC[C@H](C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000161103872 509071995 /nfs/dbraw/zinc/07/19/95/509071995.db2.gz QRIJJUJBLVQTDN-RBUKOAKNSA-N 1 0 357.498 2.507 20 70 FFIDRO COc1cc(OC)c(NC(=O)NCC[N@H+](C)C(C)C)cc1Br ZINC000161124969 509074846 /nfs/dbraw/zinc/07/48/46/509074846.db2.gz XALXBNXBZFJIMM-UHFFFAOYSA-N 1 0 374.279 2.928 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccccc1CO)Cc1ccccc1 ZINC000161133479 509075452 /nfs/dbraw/zinc/07/54/52/509075452.db2.gz YVHOSQAVWKYDEB-NRFANRHFSA-N 1 0 369.509 2.931 20 70 FFIDRO CC(C)c1ncc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000161137024 509076315 /nfs/dbraw/zinc/07/63/15/509076315.db2.gz MOBBLUDNJQONTM-UHFFFAOYSA-N 1 0 350.532 2.555 20 70 FFIDRO CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000161162008 509079193 /nfs/dbraw/zinc/07/91/93/509079193.db2.gz NVVANFIHOFXXSV-SFHVURJKSA-N 1 0 359.514 2.875 20 70 FFIDRO CC(C)C[C@@H](CO)NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000161167887 509079704 /nfs/dbraw/zinc/07/97/04/509079704.db2.gz AHSPBAQIBYGBSJ-FUHWJXTLSA-N 1 0 372.431 2.964 20 70 FFIDRO CC(C)CCn1ccc(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)n1 ZINC000161182207 509081770 /nfs/dbraw/zinc/08/17/70/509081770.db2.gz TYUYTCKSAFKEPE-UHFFFAOYSA-N 1 0 365.522 2.940 20 70 FFIDRO C[C@H](O)C[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000161181871 509082079 /nfs/dbraw/zinc/08/20/79/509082079.db2.gz QMBCHNOFWZXMHL-YMPIPDKKSA-N 1 0 361.530 2.961 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000161196787 509084030 /nfs/dbraw/zinc/08/40/30/509084030.db2.gz OUFLMKNTNXXUCH-OAHLLOKOSA-N 1 0 362.861 2.923 20 70 FFIDRO Cn1ccnc1C[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000161201647 509084829 /nfs/dbraw/zinc/08/48/29/509084829.db2.gz NYWKXUGOIOYOIH-SFHVURJKSA-N 1 0 360.546 2.959 20 70 FFIDRO CCN(CCOc1ccc(Br)cc1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000161226221 509088868 /nfs/dbraw/zinc/08/88/68/509088868.db2.gz HWEKYCVZBLMKGU-MRXNPFEDSA-N 1 0 355.276 2.676 20 70 FFIDRO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161231959 509089682 /nfs/dbraw/zinc/08/96/82/509089682.db2.gz KYQYGINETDDKFJ-RDJZCZTQSA-N 1 0 361.404 2.678 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)n1 ZINC000161233138 509089794 /nfs/dbraw/zinc/08/97/94/509089794.db2.gz YHXLEGNNGVGODU-UHFFFAOYSA-N 1 0 356.474 2.913 20 70 FFIDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161281703 509096290 /nfs/dbraw/zinc/09/62/90/509096290.db2.gz URFAGMDEOUPLFD-KRWDZBQOSA-N 1 0 356.474 2.820 20 70 FFIDRO O=C(NC1(c2cccc(C(F)(F)F)c2)CCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000161307512 509099554 /nfs/dbraw/zinc/09/95/54/509099554.db2.gz OEYGYJWAUJZZDM-HNNXBMFYSA-N 1 0 356.388 2.969 20 70 FFIDRO C[C@]1(O)CCCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000161324832 509102119 /nfs/dbraw/zinc/10/21/19/509102119.db2.gz KAXKKUIMGPKDTN-SFHVURJKSA-N 1 0 351.516 2.517 20 70 FFIDRO Cc1cccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1I ZINC000161323425 509102338 /nfs/dbraw/zinc/10/23/38/509102338.db2.gz UXIOUXKGUKWDDX-QWRGUYRKSA-N 1 0 358.223 2.599 20 70 FFIDRO Cc1ccc(-c2nc(SCC(=O)N3CC[C@H]([NH+]4CCCC4)C3)n[nH]2)cc1 ZINC000161343258 509104752 /nfs/dbraw/zinc/10/47/52/509104752.db2.gz ARRYMAAQAKJBCP-INIZCTEOSA-N 1 0 371.510 2.569 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc2c1oc(=O)n2C)c1ccco1 ZINC000161388540 509109791 /nfs/dbraw/zinc/10/97/91/509109791.db2.gz RZKFFCNBMDLHGC-OAHLLOKOSA-N 1 0 357.410 2.537 20 70 FFIDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000161402451 509111602 /nfs/dbraw/zinc/11/16/02/509111602.db2.gz IMAIIYQYUBUXNJ-RDJZCZTQSA-N 1 0 372.465 2.787 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000161405041 509112398 /nfs/dbraw/zinc/11/23/98/509112398.db2.gz HULIOIMRISBODC-HIFRSBDPSA-N 1 0 357.454 2.552 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2)c1 ZINC000161456437 509118156 /nfs/dbraw/zinc/11/81/56/509118156.db2.gz AMSSQNLYMACDAM-WBVHZDCISA-N 1 0 359.495 2.524 20 70 FFIDRO Cc1c(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cnn1C ZINC000161504748 509122414 /nfs/dbraw/zinc/12/24/14/509122414.db2.gz YDYDCQDQCRVWJZ-SOFGYWHQSA-N 1 0 362.424 2.610 20 70 FFIDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1c(C)nn(C)c1C ZINC000161502956 509122880 /nfs/dbraw/zinc/12/28/80/509122880.db2.gz AQQJAAIRXUZWLG-YVEFUNNKSA-N 1 0 364.515 2.747 20 70 FFIDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1 ZINC000161510924 509123155 /nfs/dbraw/zinc/12/31/55/509123155.db2.gz UUJMGCROVGGHJG-CRAIPNDOSA-N 1 0 362.495 2.875 20 70 FFIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccc(O)c(OC)c1 ZINC000217201806 509269132 /nfs/dbraw/zinc/26/91/32/509269132.db2.gz SQMJYBSKGHGUKU-QGZVFWFLSA-N 1 0 363.502 2.897 20 70 FFIDRO C[C@@H](Oc1cccc(Br)c1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159676726 508874419 /nfs/dbraw/zinc/87/44/19/508874419.db2.gz VUOYLGTVGUUNDD-GFCCVEGCSA-N 1 0 355.276 2.994 20 70 FFIDRO CCCOc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159393693 508836141 /nfs/dbraw/zinc/83/61/41/508836141.db2.gz FGGPVHNAJRXYDL-MRXNPFEDSA-N 1 0 361.486 2.508 20 70 FFIDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](COC)C2CC2)cc1 ZINC000159397551 508837020 /nfs/dbraw/zinc/83/70/20/508837020.db2.gz PGSUMRAETHPFAT-KBXCAEBGSA-N 1 0 354.516 2.793 20 70 FFIDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCCc1cscn1 ZINC000159412870 508838453 /nfs/dbraw/zinc/83/84/53/508838453.db2.gz KRPSXRYIOVQBCK-UHFFFAOYSA-N 1 0 350.463 2.598 20 70 FFIDRO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)ccc1OCC(F)(F)F ZINC000159590540 508862844 /nfs/dbraw/zinc/86/28/44/508862844.db2.gz NHDKYGNNOUOEFD-YPMHNXCESA-N 1 0 360.376 2.722 20 70 FFIDRO CCOC(=O)CCc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000159602767 508864510 /nfs/dbraw/zinc/86/45/10/508864510.db2.gz IIDBOMIKIMFYJR-GOSISDBHSA-N 1 0 359.470 2.884 20 70 FFIDRO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159644520 508870387 /nfs/dbraw/zinc/87/03/87/508870387.db2.gz ZGIRPOZJVXKCDK-IGCXYCKISA-N 1 0 356.869 2.919 20 70 FFIDRO Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)C2)c1 ZINC000159751877 508884823 /nfs/dbraw/zinc/88/48/23/508884823.db2.gz GPCKEJFXKUGCBI-QRQLOZEOSA-N 1 0 370.497 2.592 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NCCN1CCc2ccccc21 ZINC000159753834 508885607 /nfs/dbraw/zinc/88/56/07/508885607.db2.gz YYYHCXOUAWFZGG-UHFFFAOYSA-N 1 0 372.538 2.575 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000159776444 508889669 /nfs/dbraw/zinc/88/96/69/508889669.db2.gz SUMLTQFHTTWFGV-UHFFFAOYSA-N 1 0 370.291 2.565 20 70 FFIDRO O=C(c1cccnc1OCC(F)(F)F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159871130 508904301 /nfs/dbraw/zinc/90/43/01/508904301.db2.gz FDRLMDJABVUFPA-UHFFFAOYSA-N 1 0 357.376 2.627 20 70 FFIDRO CCNC(=O)c1cccc(NC(=O)CN(C)Cc2cccc(N(C)C)c2)c1 ZINC000159877943 508904875 /nfs/dbraw/zinc/90/48/75/508904875.db2.gz FQOACFIERFNRHG-UHFFFAOYSA-N 1 0 368.481 2.573 20 70 FFIDRO O=C(NCC[NH+]1CCCCC1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000159890092 508907589 /nfs/dbraw/zinc/90/75/89/508907589.db2.gz OAUWMGLMFUZDGR-UHFFFAOYSA-N 1 0 367.375 2.502 20 70 FFIDRO CCC[N@H+](CC)CCNC(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000159914618 508910867 /nfs/dbraw/zinc/91/08/67/508910867.db2.gz DHPKNEZVFMBICX-UHFFFAOYSA-N 1 0 354.882 2.895 20 70 FFIDRO CCC(=O)N[C@@H]1CCCN([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000159942446 508914838 /nfs/dbraw/zinc/91/48/38/508914838.db2.gz GNXHOFBVCQTLJN-RHSMWYFYSA-N 1 0 363.889 2.826 20 70 FFIDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000160057743 508931393 /nfs/dbraw/zinc/93/13/93/508931393.db2.gz OWHFVTFFFBLBHP-IBGZPJMESA-N 1 0 369.509 2.558 20 70 FFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000160067395 508933465 /nfs/dbraw/zinc/93/34/65/508933465.db2.gz ZTCRMRFCSZNSIA-GJZGRUSLSA-N 1 0 351.491 2.741 20 70 FFIDRO CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000160080105 508935721 /nfs/dbraw/zinc/93/57/21/508935721.db2.gz MRMDLALDRUJJLR-KRWDZBQOSA-N 1 0 368.543 2.505 20 70 FFIDRO [NH3+]CCCNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21 ZINC000160080771 508935924 /nfs/dbraw/zinc/93/59/24/508935924.db2.gz AQFZVITZCVDJLZ-UHFFFAOYSA-N 1 0 354.385 2.985 20 70 FFIDRO C[C@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Br)cc1 ZINC000160106715 508939724 /nfs/dbraw/zinc/93/97/24/508939724.db2.gz OUOAADBBUCUOOB-LBPRGKRZSA-N 1 0 365.275 2.949 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000160136104 508943766 /nfs/dbraw/zinc/94/37/66/508943766.db2.gz JFCYDGLCARDKGH-UHFFFAOYSA-N 1 0 365.474 2.617 20 70 FFIDRO Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)n1 ZINC000160134965 508943977 /nfs/dbraw/zinc/94/39/77/508943977.db2.gz ZDUUZUGRRZDQHF-UHFFFAOYSA-N 1 0 353.466 2.524 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000160141848 508944304 /nfs/dbraw/zinc/94/43/04/508944304.db2.gz RMVJMJKHDOOICM-HZPDHXFCSA-N 1 0 362.522 2.656 20 70 FFIDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000160144006 508945061 /nfs/dbraw/zinc/94/50/61/508945061.db2.gz PXXRZAIVKXAMRF-UHFFFAOYSA-N 1 0 356.822 2.737 20 70 FFIDRO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000160143226 508945081 /nfs/dbraw/zinc/94/50/81/508945081.db2.gz OKQVYEZKJCBSPV-GFCCVEGCSA-N 1 0 364.877 2.648 20 70 FFIDRO CCc1ccc([C@H](C)CC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000160150734 508946204 /nfs/dbraw/zinc/94/62/04/508946204.db2.gz VERBXUNTWSEBKS-QGZVFWFLSA-N 1 0 373.541 2.659 20 70 FFIDRO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160169504 508949028 /nfs/dbraw/zinc/94/90/28/508949028.db2.gz JRILXVIOWWZAJT-WMZOPIPTSA-N 1 0 362.514 2.714 20 70 FFIDRO CC(C)[N@H+](C)CCNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000160179354 508949896 /nfs/dbraw/zinc/94/98/96/508949896.db2.gz BRIJGSIBEWJMQC-UHFFFAOYSA-N 1 0 354.376 2.961 20 70 FFIDRO COc1cc(C)c(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000160173719 508949971 /nfs/dbraw/zinc/94/99/71/508949971.db2.gz LYSPTRGMWOWODS-KRWDZBQOSA-N 1 0 366.527 2.951 20 70 FFIDRO CCNC(=O)c1ccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000160217905 508955971 /nfs/dbraw/zinc/95/59/71/508955971.db2.gz MTWHZQVJPQWWOG-UHFFFAOYSA-N 1 0 374.529 2.700 20 70 FFIDRO C[C@H]1C[C@@H](NC(=O)N(C)CCc2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000160223443 508957031 /nfs/dbraw/zinc/95/70/31/508957031.db2.gz RUKRDVFQRLJCDG-FXAWDEMLSA-N 1 0 352.482 2.929 20 70 FFIDRO Cc1ccc(OCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000160243228 508959352 /nfs/dbraw/zinc/95/93/52/508959352.db2.gz LATUNMRBKNWNDM-PMACEKPBSA-N 1 0 374.525 2.956 20 70 FFIDRO COc1cccc(/C=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160285715 508964919 /nfs/dbraw/zinc/96/49/19/508964919.db2.gz BOOJLSSQZXSRMD-JNTVOPSESA-N 1 0 358.482 2.593 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000160303981 508967102 /nfs/dbraw/zinc/96/71/02/508967102.db2.gz FWJVYJVVDJYODO-MRXNPFEDSA-N 1 0 351.450 2.898 20 70 FFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1nnn(-c3cccc(Cl)c3)c1C)CC2 ZINC000160308395 508968530 /nfs/dbraw/zinc/96/85/30/508968530.db2.gz XSXNTKBEMGKDDN-NHYWBVRUSA-N 1 0 371.876 2.795 20 70 FFIDRO O[C@H](COCc1ccccc1F)C[NH+]1CCN(c2cccs2)CC1 ZINC000160324023 508971064 /nfs/dbraw/zinc/97/10/64/508971064.db2.gz AYRNYOYNCVOVRC-INIZCTEOSA-N 1 0 350.459 2.587 20 70 FFIDRO C[NH+]1CCC(CNC(=O)CSc2cccc(Br)c2)CC1 ZINC000160366487 508976902 /nfs/dbraw/zinc/97/69/02/508976902.db2.gz DOVIZDMZRHVVIR-UHFFFAOYSA-N 1 0 357.317 2.999 20 70 FFIDRO Cn1cnc2cc(C(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)cnc21 ZINC000160447508 508988560 /nfs/dbraw/zinc/98/85/60/508988560.db2.gz NVYHTXUIHGPMRK-KRWDZBQOSA-N 1 0 355.486 2.743 20 70 FFIDRO CC[C@@H](C(=O)NCCC(=O)Nc1ccc(Br)cc1C)[NH+](C)C ZINC000160455245 508989062 /nfs/dbraw/zinc/98/90/62/508989062.db2.gz XBNNTXNMLQJBCR-AWEZNQCLSA-N 1 0 370.291 2.543 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)C[NH2+]C1(c2cccc(F)c2)CC1)c1ccccc1 ZINC000160457972 508989953 /nfs/dbraw/zinc/98/99/53/508989953.db2.gz MCXAJBMMMVQBQQ-LJQANCHMSA-N 1 0 355.457 2.824 20 70 FFIDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160497357 508994589 /nfs/dbraw/zinc/99/45/89/508994589.db2.gz XVLZHTCENXHQJH-MOPGFXCFSA-N 1 0 363.477 2.857 20 70 FFIDRO O=C(CCCOc1ccccc1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160505198 508996273 /nfs/dbraw/zinc/99/62/73/508996273.db2.gz NGVDDHRQURWKTJ-OKILXGFUSA-N 1 0 367.287 2.961 20 70 FFIDRO O=C(C[C@@H]1CCOc2ccccc21)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160549168 509001199 /nfs/dbraw/zinc/00/11/99/509001199.db2.gz DDQURNDZBKSMLU-VDGAXYAQSA-N 1 0 372.509 2.827 20 70 FFIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000160560512 509003779 /nfs/dbraw/zinc/00/37/79/509003779.db2.gz XBBYCQZABQYCBI-UHFFFAOYSA-N 1 0 354.450 2.913 20 70 FFIDRO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCCc1ccc(Cl)cc1 ZINC000160567635 509004342 /nfs/dbraw/zinc/00/43/42/509004342.db2.gz MBWCQKJNSAWOAQ-VQIMIIECSA-N 1 0 350.890 2.626 20 70 FFIDRO Cc1ccc(C(=O)CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160570577 509004598 /nfs/dbraw/zinc/00/45/98/509004598.db2.gz OJOKPUHIFFRWQF-FPOVZHCZSA-N 1 0 372.509 2.842 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000160647398 509014052 /nfs/dbraw/zinc/01/40/52/509014052.db2.gz CTIXNBRDCLALPZ-HNNXBMFYSA-N 1 0 350.422 2.875 20 70 FFIDRO COc1cc(CN(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)c(SC)cc1OC ZINC000160674349 509018258 /nfs/dbraw/zinc/01/82/58/509018258.db2.gz PBQQEUBHBHRIGC-OCCSQVGLSA-N 1 0 352.500 2.902 20 70 FFIDRO C[C@@H](CCNC(=O)c1cnc2c(c1)ncn2C)[N@H+](C)Cc1ccccc1 ZINC000160684492 509020389 /nfs/dbraw/zinc/02/03/89/509020389.db2.gz JYJAMEXLLNFVPU-HNNXBMFYSA-N 1 0 351.454 2.609 20 70 FFIDRO C[N@@H+]1CCCN(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CC1 ZINC000160719655 509024421 /nfs/dbraw/zinc/02/44/21/509024421.db2.gz MTDOCEKIWYXQLP-UHFFFAOYSA-N 1 0 365.840 2.893 20 70 FFIDRO COC(=O)c1csc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000160758370 509029019 /nfs/dbraw/zinc/02/90/19/509029019.db2.gz JRBCPNUTHRXZOJ-UHFFFAOYSA-N 1 0 374.466 2.716 20 70 FFIDRO CCc1ccc(C(=O)Nc2sccc2C(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000160790610 509033513 /nfs/dbraw/zinc/03/35/13/509033513.db2.gz BNVBSQKAHGWOGN-OAHLLOKOSA-N 1 0 357.479 2.997 20 70 FFIDRO O=C(NCC1(Cc2ccccc2)CC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000160797922 509033905 /nfs/dbraw/zinc/03/39/05/509033905.db2.gz PONMLJCMEBGLMS-HXUWFJFHSA-N 1 0 371.525 2.763 20 70 FFIDRO CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160824741 509037274 /nfs/dbraw/zinc/03/72/74/509037274.db2.gz DRGURMFUSQNBEL-FUHWJXTLSA-N 1 0 359.518 2.809 20 70 FFIDRO Cc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1C(=O)N(C)C ZINC000160850790 509039910 /nfs/dbraw/zinc/03/99/10/509039910.db2.gz VXKASYDXLUHUBJ-UHFFFAOYSA-N 1 0 360.502 2.939 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccccc1-n1cccn1 ZINC000160848545 509040089 /nfs/dbraw/zinc/04/00/89/509040089.db2.gz ZVDXODAALWPLBH-KGLIPLIRSA-N 1 0 357.458 2.536 20 70 FFIDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000160855103 509040603 /nfs/dbraw/zinc/04/06/03/509040603.db2.gz QEZRDAHLDOYGMD-IYBDPMFKSA-N 1 0 374.520 2.725 20 70 FFIDRO C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@H](Nc3ccccc3)C2)C[C@@H](C)O1 ZINC000160883699 509043922 /nfs/dbraw/zinc/04/39/22/509043922.db2.gz UNZINVVQHZSEPZ-GGPKGHCWSA-N 1 0 374.529 2.772 20 70 FFIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160942064 509051195 /nfs/dbraw/zinc/05/11/95/509051195.db2.gz AQGNIRQASHLFDH-SJORKVTESA-N 1 0 354.458 2.573 20 70 FFIDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1CCOCC1 ZINC000160953727 509052313 /nfs/dbraw/zinc/05/23/13/509052313.db2.gz HXKSMLNBEUICEF-ZACQAIPSSA-N 1 0 360.498 2.841 20 70 FFIDRO O=C(CSc1nccc2ccccc21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000160953368 509052684 /nfs/dbraw/zinc/05/26/84/509052684.db2.gz GGXRBBOEURRDER-MRXNPFEDSA-N 1 0 371.506 2.508 20 70 FFIDRO CCc1nn(C)c(Cl)c1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000160998891 509058911 /nfs/dbraw/zinc/05/89/11/509058911.db2.gz XWQXNCPSUAOJNK-UHFFFAOYSA-N 1 0 350.850 2.829 20 70 FFIDRO C[C@H](CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)C[NH+]1CCCC1 ZINC000161076361 509068249 /nfs/dbraw/zinc/06/82/49/509068249.db2.gz ROJUROPWPDLTIP-MRXNPFEDSA-N 1 0 359.514 2.924 20 70 FFIDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161147830 509077790 /nfs/dbraw/zinc/07/77/90/509077790.db2.gz BZUUMCFUIWQQON-APWZRJJASA-N 1 0 353.466 2.853 20 70 FFIDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000161245762 509091518 /nfs/dbraw/zinc/09/15/18/509091518.db2.gz JYJKHTJAEOHILX-GFCCVEGCSA-N 1 0 370.849 2.935 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000161244979 509091871 /nfs/dbraw/zinc/09/18/71/509091871.db2.gz ANCJXNPFVGIOTH-PMACEKPBSA-N 1 0 365.477 2.758 20 70 FFIDRO CCOC(=O)c1cc2cc(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)ccc2[nH]1 ZINC000161259630 509093046 /nfs/dbraw/zinc/09/30/46/509093046.db2.gz ZFHHQUZGHNQDGU-SCLBCKFNSA-N 1 0 357.454 2.803 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 ZINC000161285906 509096761 /nfs/dbraw/zinc/09/67/61/509096761.db2.gz OJTPEOAGVUQKLV-CYBMUJFWSA-N 1 0 361.877 2.868 20 70 FFIDRO O=S1(=O)CC[C@H]([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000161295365 509098553 /nfs/dbraw/zinc/09/85/53/509098553.db2.gz JBOHPMGPFUQFDU-INIZCTEOSA-N 1 0 365.445 2.895 20 70 FFIDRO C[C@@]1(O)CCCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000161324964 509102005 /nfs/dbraw/zinc/10/20/05/509102005.db2.gz KAXKKUIMGPKDTN-GOSISDBHSA-N 1 0 351.516 2.517 20 70 FFIDRO CC(=O)NC1CCC([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)CC1 ZINC000161338486 509103355 /nfs/dbraw/zinc/10/33/55/509103355.db2.gz OJGOSONMCWWIPB-UHFFFAOYSA-N 1 0 366.465 2.871 20 70 FFIDRO COc1cc(CN2CCN(CCC[NH+]3CCCCC3)CC2)cc(OC)c1 ZINC000161381671 509109258 /nfs/dbraw/zinc/10/92/58/509109258.db2.gz DHMPKFXCAZHZQT-UHFFFAOYSA-N 1 0 361.530 2.697 20 70 FFIDRO Cc1ccc(NC(=O)NCc2cccc(N(C)C)n2)c(OCC[NH+](C)C)c1 ZINC000161422979 509114132 /nfs/dbraw/zinc/11/41/32/509114132.db2.gz PELNHBSFKVFPSO-UHFFFAOYSA-N 1 0 371.485 2.718 20 70 FFIDRO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161430324 509114683 /nfs/dbraw/zinc/11/46/83/509114683.db2.gz KJJZZQNIVBEPKJ-NVXWUHKLSA-N 1 0 361.404 2.678 20 70 FFIDRO CSc1nnc(CCC[NH2+]C2CCC(NC(C)=O)CC2)n1CC(C)C ZINC000161486383 509121068 /nfs/dbraw/zinc/12/10/68/509121068.db2.gz VYIFNCJETORDEI-UHFFFAOYSA-N 1 0 367.563 2.626 20 70 FFIDRO CC(=O)NC1CCC([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC1 ZINC000161488366 509121389 /nfs/dbraw/zinc/12/13/89/509121389.db2.gz XGASYDOXIXQITG-OFLPRAFFSA-N 1 0 365.468 2.966 20 70 FFIDRO CC(=O)NC1CCC([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000161486146 509121455 /nfs/dbraw/zinc/12/14/55/509121455.db2.gz PTLMEWBKBYOKIJ-UHFFFAOYSA-N 1 0 364.534 2.530 20 70 FFIDRO CCC(CC)[C@H](CNC(=O)Nc1cccc(-c2ncn(C)n2)c1)[NH+](C)C ZINC000161510937 509123040 /nfs/dbraw/zinc/12/30/40/509123040.db2.gz ZYLWHTPMCWIUOR-KRWDZBQOSA-N 1 0 358.490 2.970 20 70 FFIDRO C[C@H](Cc1ccccc1F)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000159383702 508834058 /nfs/dbraw/zinc/83/40/58/508834058.db2.gz YFAIAEALOAAOIZ-IEBWSBKVSA-N 1 0 361.505 2.633 20 70 FFIDRO O=C(CN1CCO[C@@]2(CCc3ccccc32)C1)NCc1ccccc1F ZINC000159385906 508834324 /nfs/dbraw/zinc/83/43/24/508834324.db2.gz SAGBKIVMDGNERI-NRFANRHFSA-N 1 0 354.425 2.616 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000159392776 508836154 /nfs/dbraw/zinc/83/61/54/508836154.db2.gz XMIXGQQMAFYDDY-LBPRGKRZSA-N 1 0 355.841 2.512 20 70 FFIDRO C[C@H]([NH3+])C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000159484258 508848454 /nfs/dbraw/zinc/84/84/54/508848454.db2.gz JKCRGXNHOWGWMM-LBPRGKRZSA-N 1 0 356.401 2.702 20 70 FFIDRO Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@H](C)[NH3+])C3)cc1 ZINC000159487853 508848672 /nfs/dbraw/zinc/84/86/72/508848672.db2.gz IDJFIZVAHZFIHI-AWEZNQCLSA-N 1 0 352.438 2.871 20 70 FFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000159497883 508850266 /nfs/dbraw/zinc/85/02/66/508850266.db2.gz WCVCRQJPGRTWNF-INIZCTEOSA-N 1 0 352.910 2.900 20 70 FFIDRO CSCC[C@@H]([NH3+])C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000159511030 508851526 /nfs/dbraw/zinc/85/15/26/508851526.db2.gz AIPLGMWPEWYGLZ-HZPDHXFCSA-N 1 0 356.919 2.692 20 70 FFIDRO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1I ZINC000159525190 508852855 /nfs/dbraw/zinc/85/28/55/508852855.db2.gz ZYFGZPQTJWMZBV-BETUJISGSA-N 1 0 370.234 2.566 20 70 FFIDRO CN(C[C@@H]1CCC[C@H]1O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000159551534 508857410 /nfs/dbraw/zinc/85/74/10/508857410.db2.gz QEHYACCHNLXCBD-QFBILLFUSA-N 1 0 363.477 2.593 20 70 FFIDRO Cc1ccc(C(=O)CCC(=O)N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC000159580854 508861323 /nfs/dbraw/zinc/86/13/23/508861323.db2.gz MCZSCKWNMJSALW-UHFFFAOYSA-N 1 0 360.498 2.775 20 70 FFIDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000159684187 508875364 /nfs/dbraw/zinc/87/53/64/508875364.db2.gz MGLFPFRDNOGBTA-CTXDPNEZSA-N 1 0 369.509 2.576 20 70 FFIDRO O=C(NCC[NH2+]C1CCCCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000159685472 508876004 /nfs/dbraw/zinc/87/60/04/508876004.db2.gz KHGLLZYVHCKLQG-UHFFFAOYSA-N 1 0 371.525 2.967 20 70 FFIDRO O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NCC[NH2+]C1CCCCCC1 ZINC000159693313 508876455 /nfs/dbraw/zinc/87/64/55/508876455.db2.gz KBFPPTCUEYGYMD-UHFFFAOYSA-N 1 0 358.486 2.608 20 70 FFIDRO COC[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CC1 ZINC000159714185 508878793 /nfs/dbraw/zinc/87/87/93/508878793.db2.gz OYIUOGFBPQKCCZ-GOSISDBHSA-N 1 0 363.527 2.824 20 70 FFIDRO [NH3+]C1(CNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CCCCC1 ZINC000159726517 508881667 /nfs/dbraw/zinc/88/16/67/508881667.db2.gz MOUBAKPPYZQSIO-UHFFFAOYSA-N 1 0 357.410 2.504 20 70 FFIDRO CCOc1cc(Cl)ccc1CNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000159732564 508882573 /nfs/dbraw/zinc/88/25/73/508882573.db2.gz HXUIZFCCWBFKLX-UHFFFAOYSA-N 1 0 369.893 2.649 20 70 FFIDRO CCCC1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCC1 ZINC000159756062 508885558 /nfs/dbraw/zinc/88/55/58/508885558.db2.gz MNCRIAWPXAYBCX-UHFFFAOYSA-N 1 0 359.518 2.603 20 70 FFIDRO Cc1cccc([C@@H]2CCCN2CC(=O)NCCN2CCc3ccccc32)n1 ZINC000159800526 508893040 /nfs/dbraw/zinc/89/30/40/508893040.db2.gz POWLJOPJKUSMJH-NRFANRHFSA-N 1 0 364.493 2.706 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)nc1)c1ccccc1 ZINC000159802992 508893412 /nfs/dbraw/zinc/89/34/12/508893412.db2.gz TYENMQMBICTLDX-GOSISDBHSA-N 1 0 354.454 2.528 20 70 FFIDRO C[NH+](C)CCNC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000159817909 508895190 /nfs/dbraw/zinc/89/51/90/508895190.db2.gz ACUOZULNIBUEGS-UHFFFAOYSA-N 1 0 356.257 2.921 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159833648 508898725 /nfs/dbraw/zinc/89/87/25/508898725.db2.gz WFFAURRDVGQTQA-SJLPKXTDSA-N 1 0 361.486 2.680 20 70 FFIDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2nnc(-c3ccccc3)o2)C1 ZINC000159843319 508899225 /nfs/dbraw/zinc/89/92/25/508899225.db2.gz LAQVJRXGRIJUMQ-INIZCTEOSA-N 1 0 371.485 2.652 20 70 FFIDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cnc(C(F)(F)F)nc1 ZINC000159846637 508900047 /nfs/dbraw/zinc/90/00/47/508900047.db2.gz WZUKWIFSYANCDO-UHFFFAOYSA-N 1 0 365.359 2.537 20 70 FFIDRO CCCCn1ncc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1C ZINC000159879769 508905148 /nfs/dbraw/zinc/90/51/48/508905148.db2.gz DXUGPUQKTDXBKI-UHFFFAOYSA-N 1 0 362.518 2.757 20 70 FFIDRO CC[C@@H](C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)[NH+](C)C ZINC000159984731 508920460 /nfs/dbraw/zinc/92/04/60/508920460.db2.gz PGJRQIUKGSVAEJ-ZBFHGGJFSA-N 1 0 360.433 2.922 20 70 FFIDRO CC[C@@H](C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)[NH+](C)C ZINC000159982849 508920740 /nfs/dbraw/zinc/92/07/40/508920740.db2.gz RKVMEPMPESFNIZ-ZBFHGGJFSA-N 1 0 360.433 2.922 20 70 FFIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1cccc(Br)c1 ZINC000160017914 508925663 /nfs/dbraw/zinc/92/56/63/508925663.db2.gz KRXFGPCQIPIJJE-IOASZLSFSA-N 1 0 353.260 2.920 20 70 FFIDRO C[C@@H](N1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1)C(F)(F)F ZINC000160022763 508926857 /nfs/dbraw/zinc/92/68/57/508926857.db2.gz PLKBPXLIHKUXQF-CQSZACIVSA-N 1 0 363.468 2.840 20 70 FFIDRO CC(C)c1c(C(=O)NCC(C)(C)[NH3+])cnn1-c1ccc(C(F)(F)F)cn1 ZINC000160044119 508929830 /nfs/dbraw/zinc/92/98/30/508929830.db2.gz XANKGQXCQOAOAT-UHFFFAOYSA-N 1 0 369.391 2.877 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000160043425 508929970 /nfs/dbraw/zinc/92/99/70/508929970.db2.gz CTXHSXSWYAHXCJ-MRXNPFEDSA-N 1 0 364.490 2.501 20 70 FFIDRO COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000160125213 508942231 /nfs/dbraw/zinc/94/22/31/508942231.db2.gz GCIXCSBBUAGMFS-AWEZNQCLSA-N 1 0 372.918 2.988 20 70 FFIDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F ZINC000160155095 508946697 /nfs/dbraw/zinc/94/66/97/508946697.db2.gz AEPKHLMCWPNIJR-DUMNWFOQSA-N 1 0 362.323 2.852 20 70 FFIDRO CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000160159110 508947589 /nfs/dbraw/zinc/94/75/89/508947589.db2.gz BNYCNFXCTXVQFQ-KRWDZBQOSA-N 1 0 350.484 2.528 20 70 FFIDRO [NH3+]C[C@@H]1CCCN1C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000160253963 508960635 /nfs/dbraw/zinc/96/06/35/508960635.db2.gz TYGYACFGAASJBH-KRWDZBQOSA-N 1 0 372.852 2.900 20 70 FFIDRO Cc1ccc(C)c(OCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160272187 508963435 /nfs/dbraw/zinc/96/34/35/508963435.db2.gz DJOJDVLZLYIRKI-WOJBJXKFSA-N 1 0 374.525 2.956 20 70 FFIDRO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1NC(=O)c1ccccc1F ZINC000160282910 508964791 /nfs/dbraw/zinc/96/47/91/508964791.db2.gz ZULKLLLTXWRBOO-OAHLLOKOSA-N 1 0 355.413 2.950 20 70 FFIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1ccc(Br)s1 ZINC000160287516 508965508 /nfs/dbraw/zinc/96/55/08/508965508.db2.gz FMEXVXRNLOXVHU-NVBFEUDRSA-N 1 0 373.316 2.659 20 70 FFIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1cc(Br)cn1C ZINC000160304562 508967603 /nfs/dbraw/zinc/96/76/03/508967603.db2.gz ATOIOWXDRHJEBD-CYBMUJFWSA-N 1 0 371.323 2.803 20 70 FFIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000160313440 508969205 /nfs/dbraw/zinc/96/92/05/508969205.db2.gz YGYBEZRQLRLYCW-TZMCWYRMSA-N 1 0 371.407 2.926 20 70 FFIDRO Cc1c(C(=O)N2CCC[C@H]2C[NH3+])cnn1-c1cccc(C(F)(F)F)c1 ZINC000160317046 508969610 /nfs/dbraw/zinc/96/96/10/508969610.db2.gz YTIPHNITOARLHZ-AWEZNQCLSA-N 1 0 352.360 2.763 20 70 FFIDRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160355701 508975359 /nfs/dbraw/zinc/97/53/59/508975359.db2.gz AQNARVYZGJOXBI-HIFRSBDPSA-N 1 0 356.919 2.784 20 70 FFIDRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160385907 508979655 /nfs/dbraw/zinc/97/96/55/508979655.db2.gz OWRJGTDXQLOADT-CQSZACIVSA-N 1 0 367.921 2.942 20 70 FFIDRO O=C(Cn1ccc2ccccc21)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160404461 508981774 /nfs/dbraw/zinc/98/17/74/508981774.db2.gz HEBKCSXOICMGIA-WOJBJXKFSA-N 1 0 355.482 2.525 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000160427400 508985268 /nfs/dbraw/zinc/98/52/68/508985268.db2.gz NPBKWCFAXXGGCU-ULQDDVLXSA-N 1 0 370.415 2.772 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000160465297 508990743 /nfs/dbraw/zinc/99/07/43/508990743.db2.gz OZULFTCITZYZLZ-DZFGPLHGSA-N 1 0 352.478 2.906 20 70 FFIDRO Cc1c(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cccc1S(=O)(=O)NC(C)(C)C ZINC000160470062 508991185 /nfs/dbraw/zinc/99/11/85/508991185.db2.gz YOHCMVAWJZNQAA-UONOGXRCSA-N 1 0 367.515 2.528 20 70 FFIDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160497727 508995582 /nfs/dbraw/zinc/99/55/82/508995582.db2.gz XVLZHTCENXHQJH-RBUKOAKNSA-N 1 0 363.477 2.857 20 70 FFIDRO O=C(CCOc1ccccc1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160499458 508995626 /nfs/dbraw/zinc/99/56/26/508995626.db2.gz MXZFWRJPCSJWFN-BETUJISGSA-N 1 0 353.260 2.571 20 70 FFIDRO CC(C)[NH2+]C1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000160498684 508995730 /nfs/dbraw/zinc/99/57/30/508995730.db2.gz KVYRUVVEKBFXFI-OAHLLOKOSA-N 1 0 372.282 2.577 20 70 FFIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ncnc3c2cnn3C(C)(C)C)C[C@@H](C)O1 ZINC000160503855 508995775 /nfs/dbraw/zinc/99/57/75/508995775.db2.gz XXDDDVFIEJOLEH-OAGGEKHMSA-N 1 0 372.517 2.659 20 70 FFIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000160544333 509000433 /nfs/dbraw/zinc/00/04/33/509000433.db2.gz PJMQKOHOZOGVPF-KRWDZBQOSA-N 1 0 374.529 2.903 20 70 FFIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160542175 509000448 /nfs/dbraw/zinc/00/04/48/509000448.db2.gz RQISZVZHBKKOIF-ZWKOTPCHSA-N 1 0 352.519 2.778 20 70 FFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2cccc(N3CCCNC3=O)c2)CC1 ZINC000160616401 509010815 /nfs/dbraw/zinc/01/08/15/509010815.db2.gz ZUAOGLLNOCFGNW-UHFFFAOYSA-N 1 0 373.501 2.848 20 70 FFIDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000160639006 509013224 /nfs/dbraw/zinc/01/32/24/509013224.db2.gz AKEUQZHRUFYLDE-UHFFFAOYSA-N 1 0 356.474 2.726 20 70 FFIDRO Cc1nc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)oc1-c1ccccc1 ZINC000160687786 509020579 /nfs/dbraw/zinc/02/05/79/509020579.db2.gz LPWAMQCYQSAKGA-SFHVURJKSA-N 1 0 371.481 2.546 20 70 FFIDRO Cc1cccc(OCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160689603 509021067 /nfs/dbraw/zinc/02/10/67/509021067.db2.gz OPCZLHUMYDUDSO-UXHICEINSA-N 1 0 360.498 2.648 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)C1 ZINC000160701694 509022742 /nfs/dbraw/zinc/02/27/42/509022742.db2.gz RGOGDFNNVOCQBO-AWEZNQCLSA-N 1 0 361.442 2.882 20 70 FFIDRO CCOCCC1(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCCC1 ZINC000160749460 509028267 /nfs/dbraw/zinc/02/82/67/509028267.db2.gz DDRQUKACKMSWSD-WOJBJXKFSA-N 1 0 374.525 2.725 20 70 FFIDRO COCC[NH2+]CC(=O)N[C@@H](c1ccccc1Cl)c1ccccc1OC ZINC000160812088 509035828 /nfs/dbraw/zinc/03/58/28/509035828.db2.gz FMALLZSIQDODCW-IBGZPJMESA-N 1 0 362.857 2.790 20 70 FFIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)N3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC000160961598 509053219 /nfs/dbraw/zinc/05/32/19/509053219.db2.gz MEUVOTFXVGLQQQ-LPOKXYRGSA-N 1 0 371.591 2.842 20 70 FFIDRO C[C@H](CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C[NH+]1CCCCC1 ZINC000161015633 509060298 /nfs/dbraw/zinc/06/02/98/509060298.db2.gz IUIVCDBAJFSCKW-OAHLLOKOSA-N 1 0 356.474 2.726 20 70 FFIDRO CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000161025897 509061296 /nfs/dbraw/zinc/06/12/96/509061296.db2.gz QAMPCYRMWWLUHD-QGZVFWFLSA-N 1 0 367.515 2.562 20 70 FFIDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NOCc1cccnc1 ZINC000161029703 509061794 /nfs/dbraw/zinc/06/17/94/509061794.db2.gz VCNYLNNTANBUQE-UHFFFAOYSA-N 1 0 354.454 2.999 20 70 FFIDRO Cc1noc(Cl)c1CC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000161035404 509063015 /nfs/dbraw/zinc/06/30/15/509063015.db2.gz NCRAGMBLJXVVNJ-UHFFFAOYSA-N 1 0 353.825 2.908 20 70 FFIDRO C[NH+]1CCN(Cc2cccc(NC(=O)C[C@H]3CSCCS3)c2)CC1 ZINC000161040726 509063702 /nfs/dbraw/zinc/06/37/02/509063702.db2.gz FXWNTQJHZZGVAZ-KRWDZBQOSA-N 1 0 365.568 2.611 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1 ZINC000161073609 509068169 /nfs/dbraw/zinc/06/81/69/509068169.db2.gz WFPWJEWIYUURKK-UHFFFAOYSA-N 1 0 366.531 2.518 20 70 FFIDRO CCc1ccc([C@H](CNC(=O)[C@@H](C)Oc2cccc(CO)c2)[NH+](C)C)cc1 ZINC000161089712 509069604 /nfs/dbraw/zinc/06/96/04/509069604.db2.gz JBGOFRISGZCQDZ-IERDGZPVSA-N 1 0 370.493 2.928 20 70 FFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000161183991 509082166 /nfs/dbraw/zinc/08/21/66/509082166.db2.gz BJBQBVHDQCSCIX-GOEBONIOSA-N 1 0 354.516 2.624 20 70 FFIDRO CN1C[C@H]([NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CCC1=O ZINC000161201975 509084730 /nfs/dbraw/zinc/08/47/30/509084730.db2.gz ZEOQKWOAIOREBC-IEBWSBKVSA-N 1 0 355.413 2.716 20 70 FFIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161248640 509092351 /nfs/dbraw/zinc/09/23/51/509092351.db2.gz HABASJWZDGYQHF-BZUAXINKSA-N 1 0 370.501 2.970 20 70 FFIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161248452 509092370 /nfs/dbraw/zinc/09/23/70/509092370.db2.gz HABASJWZDGYQHF-OWCLPIDISA-N 1 0 370.501 2.970 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)c1ccc(F)cc1 ZINC000161289517 509097502 /nfs/dbraw/zinc/09/75/02/509097502.db2.gz NLYGWCNLZHIZEK-KRWDZBQOSA-N 1 0 353.401 2.644 20 70 FFIDRO Cc1conc1NC(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000161304445 509100135 /nfs/dbraw/zinc/10/01/35/509100135.db2.gz YQLDPYHUEGLYEZ-HNNXBMFYSA-N 1 0 370.453 2.701 20 70 FFIDRO CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000161341942 509104150 /nfs/dbraw/zinc/10/41/50/509104150.db2.gz VQVHVRHBHVCMKY-KRWDZBQOSA-N 1 0 357.498 2.515 20 70 FFIDRO COc1cc(CCC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1Cl ZINC000161405115 509112223 /nfs/dbraw/zinc/11/22/23/509112223.db2.gz OQOUXMXPDWAYHN-HUUCEWRRSA-N 1 0 368.905 2.897 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)CCNC(=O)C1CCCCC1)c1ccco1 ZINC000161409928 509113236 /nfs/dbraw/zinc/11/32/36/509113236.db2.gz FHQSTNHTZIWJEZ-KRWDZBQOSA-N 1 0 363.502 2.865 20 70 FFIDRO CCN(CCc1nccs1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000161447074 509116414 /nfs/dbraw/zinc/11/64/14/509116414.db2.gz MRTJCFBRZHUNOW-UHFFFAOYSA-N 1 0 358.511 2.775 20 70 FFIDRO O=C(c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21)N1CC[NH2+]CC1 ZINC000159386220 508834898 /nfs/dbraw/zinc/83/48/98/508834898.db2.gz SIQMZXUNAHQDBP-UHFFFAOYSA-N 1 0 366.396 2.952 20 70 FFIDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000159442461 508842316 /nfs/dbraw/zinc/84/23/16/508842316.db2.gz QHEZHRVNAWFGLF-GJZGRUSLSA-N 1 0 359.470 2.619 20 70 FFIDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000159446527 508843076 /nfs/dbraw/zinc/84/30/76/508843076.db2.gz LAGNFIURDWNSNL-MJGOQNOKSA-N 1 0 367.497 2.652 20 70 FFIDRO Cc1nc2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)cc2s1 ZINC000159462190 508845011 /nfs/dbraw/zinc/84/50/11/508845011.db2.gz CIMYGJOJCCBGGM-CQSZACIVSA-N 1 0 374.510 2.637 20 70 FFIDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000159508231 508851344 /nfs/dbraw/zinc/85/13/44/508851344.db2.gz QKKUOJFALKBPBJ-CYBMUJFWSA-N 1 0 366.387 2.963 20 70 FFIDRO COc1ccc(-c2noc(CCCC(=O)NCC3([NH3+])CCCCC3)n2)cc1 ZINC000159522369 508852933 /nfs/dbraw/zinc/85/29/33/508852933.db2.gz XIZFKGUBOUZGTA-UHFFFAOYSA-N 1 0 372.469 2.846 20 70 FFIDRO Cc1cc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)n(-c2ccc(C)cc2)n1 ZINC000159552131 508857838 /nfs/dbraw/zinc/85/78/38/508857838.db2.gz OTBWCZVHEMWRHX-WMZOPIPTSA-N 1 0 356.470 2.520 20 70 FFIDRO CC(C)N(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cccnc1 ZINC000159596222 508862761 /nfs/dbraw/zinc/86/27/61/508862761.db2.gz CEFYBAFKAOSHLV-FQEVSTJZSA-N 1 0 354.498 2.711 20 70 FFIDRO [NH3+]C1(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)CCCCC1 ZINC000159623645 508867351 /nfs/dbraw/zinc/86/73/51/508867351.db2.gz ROKIELDRHUHYBU-UHFFFAOYSA-N 1 0 371.437 2.689 20 70 FFIDRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000159652603 508871195 /nfs/dbraw/zinc/87/11/95/508871195.db2.gz TYPGGDHTNDNPSB-INIZCTEOSA-N 1 0 362.495 2.771 20 70 FFIDRO C[C@H](Oc1cccc(Br)c1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159676626 508874632 /nfs/dbraw/zinc/87/46/32/508874632.db2.gz VUOYLGTVGUUNDD-LBPRGKRZSA-N 1 0 355.276 2.994 20 70 FFIDRO CC(C)[NH+](CCCNC(=O)Nc1ccnn1C[C@H]1CCOC1)C(C)C ZINC000159678461 508875324 /nfs/dbraw/zinc/87/53/24/508875324.db2.gz HTUIHWQUMLEQBC-MRXNPFEDSA-N 1 0 351.495 2.550 20 70 FFIDRO COc1cccc(-c2nc(C)c(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)[nH]2)c1 ZINC000159723003 508880556 /nfs/dbraw/zinc/88/05/56/508880556.db2.gz VFUCQWMSHPGBOA-SJLPKXTDSA-N 1 0 368.481 2.950 20 70 FFIDRO C[N@H+](CCCNC(=O)Nc1ccnn1C[C@@H]1CCOC1)C1CCCCC1 ZINC000159736507 508882187 /nfs/dbraw/zinc/88/21/87/508882187.db2.gz PNNHDOKXSUPUCB-INIZCTEOSA-N 1 0 363.506 2.696 20 70 FFIDRO C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@H]1CCC[C@@H]1O ZINC000159749110 508885084 /nfs/dbraw/zinc/88/50/84/508885084.db2.gz YWMZYEMYHCRCHW-MFKMUULPSA-N 1 0 362.804 2.973 20 70 FFIDRO CCc1nnc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)s1 ZINC000159774756 508888523 /nfs/dbraw/zinc/88/85/23/508888523.db2.gz VYSQBQAUBPFENI-LBPRGKRZSA-N 1 0 360.487 2.843 20 70 FFIDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(F)c(I)c1 ZINC000159807080 508893803 /nfs/dbraw/zinc/89/38/03/508893803.db2.gz VUYKVWLJOXGTPE-UHFFFAOYSA-N 1 0 364.202 2.548 20 70 FFIDRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1 ZINC000159833065 508898355 /nfs/dbraw/zinc/89/83/55/508898355.db2.gz CWDGIAGSXZQRGQ-DLBZAZTESA-N 1 0 363.465 2.931 20 70 FFIDRO CCC(CC)(CNC(=O)N[C@H]1CCC(=O)N(C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000159880058 508905076 /nfs/dbraw/zinc/90/50/76/508905076.db2.gz SCYFZYXYQOWFMJ-AEFFLSMTSA-N 1 0 374.529 2.816 20 70 FFIDRO COc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159880649 508905650 /nfs/dbraw/zinc/90/56/50/508905650.db2.gz RYKAWXXNBLOCDO-MRXNPFEDSA-N 1 0 355.482 2.898 20 70 FFIDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159895901 508907451 /nfs/dbraw/zinc/90/74/51/508907451.db2.gz HGKMDPYMSJKLEU-KSSFIOAISA-N 1 0 365.412 2.863 20 70 FFIDRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159899535 508908322 /nfs/dbraw/zinc/90/83/22/508908322.db2.gz IAUMZDBMJCEWRH-IAGOWNOFSA-N 1 0 363.465 2.931 20 70 FFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000159913698 508910955 /nfs/dbraw/zinc/91/09/55/508910955.db2.gz WYJNDYHYFIKFBS-HNAYVOBHSA-N 1 0 372.490 2.936 20 70 FFIDRO CCc1nn(C)c(CC)c1CN(CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159919803 508911655 /nfs/dbraw/zinc/91/16/55/508911655.db2.gz IMJSIQXLAGKBKN-UHFFFAOYSA-N 1 0 353.470 2.804 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(N(C)C)nc3ccccc23)CC1 ZINC000159933890 508913286 /nfs/dbraw/zinc/91/32/86/508913286.db2.gz GIXPUKLCOYDRBL-UHFFFAOYSA-N 1 0 355.486 2.538 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NCc1cc(F)cc(F)c1 ZINC000159943819 508914993 /nfs/dbraw/zinc/91/49/93/508914993.db2.gz OEIXGGISLUCQMS-UHFFFAOYSA-N 1 0 353.438 2.991 20 70 FFIDRO COCCN(Cc1ccco1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159967563 508918257 /nfs/dbraw/zinc/91/82/57/508918257.db2.gz RISDUIXDAKUQLA-PXNSSMCTSA-N 1 0 371.481 2.958 20 70 FFIDRO COc1cc(F)c([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1OC ZINC000159963513 508918448 /nfs/dbraw/zinc/91/84/48/508918448.db2.gz AZGZUKHPECOVNM-PXAZEXFGSA-N 1 0 358.413 2.735 20 70 FFIDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CC1 ZINC000160030871 508928346 /nfs/dbraw/zinc/92/83/46/508928346.db2.gz MGLYIHKINHXCLY-UHFFFAOYSA-N 1 0 360.502 2.834 20 70 FFIDRO C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@]2(C)CCCS2)cc1 ZINC000160040192 508929219 /nfs/dbraw/zinc/92/92/19/508929219.db2.gz KZXDECIDMZQHRW-GOSISDBHSA-N 1 0 351.516 2.712 20 70 FFIDRO CC[NH+]1CCN(CCNC(=O)c2cccc(OC3CCCCC3)c2)CC1 ZINC000160082331 508935816 /nfs/dbraw/zinc/93/58/16/508935816.db2.gz BILDBQQMUXMTSZ-UHFFFAOYSA-N 1 0 359.514 2.765 20 70 FFIDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2noc(C3CCCCC3)n2)CC1 ZINC000160080542 508936162 /nfs/dbraw/zinc/93/61/62/508936162.db2.gz AWWSMZANEIBIBS-GOSISDBHSA-N 1 0 361.534 2.719 20 70 FFIDRO O=S(=O)(c1ccccc1OC(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160105055 508938996 /nfs/dbraw/zinc/93/89/96/508938996.db2.gz TVBIXBOYIFXXLD-CQSZACIVSA-N 1 0 374.453 2.927 20 70 FFIDRO CCNC(=O)c1cccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000160199085 508953070 /nfs/dbraw/zinc/95/30/70/508953070.db2.gz IMMGBTREHZWNPR-UWJYYQICSA-N 1 0 366.509 2.832 20 70 FFIDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000160208189 508954289 /nfs/dbraw/zinc/95/42/89/508954289.db2.gz CBVRQGGOOWMJKQ-RBUKOAKNSA-N 1 0 360.498 2.566 20 70 FFIDRO CCCCn1ncc(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000160212455 508954858 /nfs/dbraw/zinc/95/48/58/508954858.db2.gz VJHWTNFHTDUOMB-GASCZTMLSA-N 1 0 351.495 2.612 20 70 FFIDRO C[C@@H]1C[C@H](NC(=O)N(C)CCc2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000160223118 508956647 /nfs/dbraw/zinc/95/66/47/508956647.db2.gz RUKRDVFQRLJCDG-XLIONFOSSA-N 1 0 352.482 2.929 20 70 FFIDRO Cc1ccc(-n2nc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c3c2CCC3)c(F)c1 ZINC000160222638 508956841 /nfs/dbraw/zinc/95/68/41/508956841.db2.gz QBCBWHAKSRPLTO-GASCZTMLSA-N 1 0 368.456 2.775 20 70 FFIDRO COc1cccc(/C(C)=C/C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160265495 508962519 /nfs/dbraw/zinc/96/25/19/508962519.db2.gz IUEZIVAYDKNEJQ-ODOOKIQISA-N 1 0 372.509 2.983 20 70 FFIDRO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000160269257 508962525 /nfs/dbraw/zinc/96/25/25/508962525.db2.gz FVIXUPJQHLCBRK-NVXWUHKLSA-N 1 0 354.454 2.639 20 70 FFIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000160266398 508962813 /nfs/dbraw/zinc/96/28/13/508962813.db2.gz YXCLVRNBTUZEGL-SJORKVTESA-N 1 0 366.452 2.885 20 70 FFIDRO CCN(C(=O)N[C@@H](C)c1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160359571 508975959 /nfs/dbraw/zinc/97/59/59/508975959.db2.gz KEWAHOHLWGKNDI-LPHOPBHVSA-N 1 0 355.486 2.787 20 70 FFIDRO CC(C)Oc1ccccc1CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160361486 508976072 /nfs/dbraw/zinc/97/60/72/508976072.db2.gz CSAPDGMYFMWXEO-PMACEKPBSA-N 1 0 374.525 2.900 20 70 FFIDRO CC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Cl)ccc1OC ZINC000160375101 508977740 /nfs/dbraw/zinc/97/77/40/508977740.db2.gz AWIIEBVISFUPLR-KRWDZBQOSA-N 1 0 367.921 2.942 20 70 FFIDRO COc1cccc(-c2nc(C)c(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)[nH]2)c1 ZINC000160379816 508978340 /nfs/dbraw/zinc/97/83/40/508978340.db2.gz ADQNXWZXCOHCTN-FUHWJXTLSA-N 1 0 368.481 2.950 20 70 FFIDRO Cc1nc(Cc2ccccc2)sc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160468844 508991414 /nfs/dbraw/zinc/99/14/14/508991414.db2.gz QVHHGIBQNDWFLZ-QGZVFWFLSA-N 1 0 373.522 2.619 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)ccc1F ZINC000160480068 508993412 /nfs/dbraw/zinc/99/34/12/508993412.db2.gz AONDBGUEEIEBER-IRXDYDNUSA-N 1 0 354.853 2.977 20 70 FFIDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccn(CC(F)(F)F)n1 ZINC000160516187 508997151 /nfs/dbraw/zinc/99/71/51/508997151.db2.gz VDOBGSZHTIMCDJ-LBPRGKRZSA-N 1 0 371.363 2.997 20 70 FFIDRO O=C(CCc1c[nH]c2ccccc12)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160592822 509007692 /nfs/dbraw/zinc/00/76/92/509007692.db2.gz HDHIGSFTGLZXEO-RTWAWAEBSA-N 1 0 369.509 2.985 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H](OC1CCCC1)c1ccccc1 ZINC000160592059 509007698 /nfs/dbraw/zinc/00/76/98/509007698.db2.gz LRSMGPWPEHGQBG-UYAOXDASSA-N 1 0 360.498 2.650 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ncoc1-c1ccccc1Cl ZINC000160650188 509014833 /nfs/dbraw/zinc/01/48/33/509014833.db2.gz IWAOLSZPPJIBHA-CYBMUJFWSA-N 1 0 363.845 2.572 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000160656758 509015509 /nfs/dbraw/zinc/01/55/09/509015509.db2.gz LCCQCHCEXLYNAN-OAHLLOKOSA-N 1 0 363.255 2.801 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc2ccccc2n1 ZINC000160661262 509015805 /nfs/dbraw/zinc/01/58/05/509015805.db2.gz PTWWSFQFRCNVNW-WOJBJXKFSA-N 1 0 353.466 2.733 20 70 FFIDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160667771 509017086 /nfs/dbraw/zinc/01/70/86/509017086.db2.gz DFSPDCSSICZFJY-UHFFFAOYSA-N 1 0 354.454 2.535 20 70 FFIDRO Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)[nH]n1 ZINC000160680791 509019239 /nfs/dbraw/zinc/01/92/39/509019239.db2.gz DZJXJTXOKAOFRT-CQSZACIVSA-N 1 0 359.474 2.720 20 70 FFIDRO Cc1nc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)oc1-c1ccccc1 ZINC000160687906 509020262 /nfs/dbraw/zinc/02/02/62/509020262.db2.gz LPWAMQCYQSAKGA-GOSISDBHSA-N 1 0 371.481 2.546 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)C1 ZINC000160686754 509020425 /nfs/dbraw/zinc/02/04/25/509020425.db2.gz OLYLWSUBTDHWEU-SFHVURJKSA-N 1 0 361.449 2.677 20 70 FFIDRO Cc1cc(C)cc(CCC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000160750896 509028356 /nfs/dbraw/zinc/02/83/56/509028356.db2.gz DGCDOMMBMRJFNT-FGZHOGPDSA-N 1 0 366.505 2.988 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)nc2)CC1 ZINC000160788913 509033231 /nfs/dbraw/zinc/03/32/31/509033231.db2.gz SDVHHTSFKMCBTC-JKSUJKDBSA-N 1 0 372.419 2.854 20 70 FFIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000160815227 509036280 /nfs/dbraw/zinc/03/62/80/509036280.db2.gz MSZZJEYNQQQRAT-ULQDDVLXSA-N 1 0 351.491 2.853 20 70 FFIDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cc(OC)ccc2Br)C1 ZINC000160829682 509037968 /nfs/dbraw/zinc/03/79/68/509037968.db2.gz NKXVVXHQOIRJGU-ZDUSSCGKSA-N 1 0 369.303 2.800 20 70 FFIDRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H](Nc3ccccc3)C2)C[C@H](C)O1 ZINC000160883426 509043540 /nfs/dbraw/zinc/04/35/40/509043540.db2.gz UNZINVVQHZSEPZ-NSHGMRRFSA-N 1 0 374.529 2.772 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000160895035 509044860 /nfs/dbraw/zinc/04/48/60/509044860.db2.gz NCLIAVAPDKHSQA-BEFAXECRSA-N 1 0 362.495 2.759 20 70 FFIDRO C[NH+](C)CC[C@H](NC(=O)NCCOc1ncccc1Cl)C(C)(C)C ZINC000160902906 509045881 /nfs/dbraw/zinc/04/58/81/509045881.db2.gz GWPVTQSGWCEKPC-AWEZNQCLSA-N 1 0 356.898 2.779 20 70 FFIDRO Cc1c(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cnn1CC(C)C ZINC000160916048 509047432 /nfs/dbraw/zinc/04/74/32/509047432.db2.gz KUEPROONRCEVMW-UHFFFAOYSA-N 1 0 369.513 2.847 20 70 FFIDRO COC(=O)c1csc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000160937341 509050223 /nfs/dbraw/zinc/05/02/23/509050223.db2.gz ASRJMQSHOBTTJS-OAHLLOKOSA-N 1 0 361.467 2.829 20 70 FFIDRO CCSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160978110 509055782 /nfs/dbraw/zinc/05/57/82/509055782.db2.gz DDCOKTUHSJIIEG-CQSZACIVSA-N 1 0 371.506 2.865 20 70 FFIDRO COCCN(Cc1cccnc1)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000161011767 509059955 /nfs/dbraw/zinc/05/99/55/509059955.db2.gz NMUKNALWVYAIKH-LJQANCHMSA-N 1 0 362.518 2.750 20 70 FFIDRO CC(C)(C)[NH2+]CCNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000161022229 509060888 /nfs/dbraw/zinc/06/08/88/509060888.db2.gz CAVHJSWKMSKNML-UHFFFAOYSA-N 1 0 350.850 2.827 20 70 FFIDRO CCC[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000161028113 509061406 /nfs/dbraw/zinc/06/14/06/509061406.db2.gz PHHALKUJKIVYJM-WOJBJXKFSA-N 1 0 359.514 2.762 20 70 FFIDRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@H]1CCOC1 ZINC000161032291 509062426 /nfs/dbraw/zinc/06/24/26/509062426.db2.gz IIMFVQGXYURQNE-HIFRSBDPSA-N 1 0 369.303 2.812 20 70 FFIDRO CN(C)c1ccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c(F)c1 ZINC000161041146 509063643 /nfs/dbraw/zinc/06/36/43/509063643.db2.gz FOZUFBJTGBWVCV-UHFFFAOYSA-N 1 0 370.472 2.891 20 70 FFIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000161170823 509080800 /nfs/dbraw/zinc/08/08/00/509080800.db2.gz AFUVKUBORBIAJL-SQNIBIBYSA-N 1 0 361.486 2.619 20 70 FFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000161192862 509083675 /nfs/dbraw/zinc/08/36/75/509083675.db2.gz SAKNPFSMYBIWDC-CHWSQXEVSA-N 1 0 355.276 2.735 20 70 FFIDRO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161233106 509090123 /nfs/dbraw/zinc/09/01/23/509090123.db2.gz FPTJUALGSDHSOD-RDJZCZTQSA-N 1 0 361.404 2.678 20 70 FFIDRO Cc1ccc(NC(=O)C2(C[NH2+]C3CCN(C(N)=O)CC3)CCCC2)cc1C ZINC000161261938 509094253 /nfs/dbraw/zinc/09/42/53/509094253.db2.gz KYOYXZRQEACNMB-UHFFFAOYSA-N 1 0 372.513 2.935 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CCc2ccncc2)CC1 ZINC000161348035 509105480 /nfs/dbraw/zinc/10/54/80/509105480.db2.gz HIIRXPOJNYTWCX-KRWDZBQOSA-N 1 0 367.497 2.886 20 70 FFIDRO CSCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000161369015 509107818 /nfs/dbraw/zinc/10/78/18/509107818.db2.gz BOWUCYIGDXWSEF-MSOLQXFVSA-N 1 0 370.607 2.718 20 70 FFIDRO CCN(CC)C(=O)CCC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161509812 509123167 /nfs/dbraw/zinc/12/31/67/509123167.db2.gz DFWQOKYMJXBLOJ-UHFFFAOYSA-N 1 0 351.535 2.794 20 70 FFIDRO CC[NH+](CC)CCNC(=O)Nc1ccccc1I ZINC000217272909 509267845 /nfs/dbraw/zinc/26/78/45/509267845.db2.gz ACBFXGBJTXNEFW-UHFFFAOYSA-N 1 0 361.227 2.755 20 70 FFIDRO C[C@@H](CNC(=O)Cc1ccc(Br)c(F)c1)C[NH+]1CCCC1 ZINC000159374116 508832271 /nfs/dbraw/zinc/83/22/71/508832271.db2.gz LCNYQUOZORGMGH-LBPRGKRZSA-N 1 0 357.267 2.979 20 70 FFIDRO C[C@@H](CNC(=O)c1cc(NC(=O)N(C)C)ccc1Cl)C[NH+]1CCCC1 ZINC000159379441 508833533 /nfs/dbraw/zinc/83/35/33/508833533.db2.gz ZFKGDRNWCASBFF-ZDUSSCGKSA-N 1 0 366.893 2.895 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000159411781 508838214 /nfs/dbraw/zinc/83/82/14/508838214.db2.gz LDEAKLBPPWQWRJ-MRXNPFEDSA-N 1 0 353.466 2.872 20 70 FFIDRO CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)s1 ZINC000159441215 508842327 /nfs/dbraw/zinc/84/23/27/508842327.db2.gz IBWZWOHNLUHFPO-ZDUSSCGKSA-N 1 0 359.561 2.734 20 70 FFIDRO [NH3+]C1(CNC(=O)c2ccc(I)cc2)CCCCC1 ZINC000159458189 508844377 /nfs/dbraw/zinc/84/43/77/508844377.db2.gz YDBKVZRJPRWPOK-UHFFFAOYSA-N 1 0 358.223 2.683 20 70 FFIDRO COc1cccc([C@@H](CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)[NH+](C)C)c1 ZINC000159495922 508850121 /nfs/dbraw/zinc/85/01/21/508850121.db2.gz UBKIQMLCDSICTA-UHOSZYNNSA-N 1 0 361.486 2.555 20 70 FFIDRO CCOc1ccc(CCNC(=O)N2CCC[N@H+](CC)CC2)cc1OCC ZINC000159518430 508852357 /nfs/dbraw/zinc/85/23/57/508852357.db2.gz QQOVYSAWYQIZOA-UHFFFAOYSA-N 1 0 363.502 2.764 20 70 FFIDRO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccnn1C[C@H]1CCOC1 ZINC000159531551 508853766 /nfs/dbraw/zinc/85/37/66/508853766.db2.gz PVYMCGKFGQFEOS-QGZVFWFLSA-N 1 0 363.506 2.697 20 70 FFIDRO CN(C[C@H]1CCC[C@@H]1O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000159551389 508857143 /nfs/dbraw/zinc/85/71/43/508857143.db2.gz QEHYACCHNLXCBD-APWZRJJASA-N 1 0 363.477 2.593 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)CN1CCc2c(F)cccc2C1)c1ccccc1 ZINC000159556992 508859187 /nfs/dbraw/zinc/85/91/87/508859187.db2.gz PKNFXRWFONJRQC-HXUWFJFHSA-N 1 0 355.457 2.603 20 70 FFIDRO CCC(CC)(C[NH2+]CC(=O)N1CCSc2ccccc21)C(=O)OC ZINC000159649286 508871066 /nfs/dbraw/zinc/87/10/66/508871066.db2.gz IBYPUXNKEZTZPV-UHFFFAOYSA-N 1 0 350.484 2.694 20 70 FFIDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159733721 508882401 /nfs/dbraw/zinc/88/24/01/508882401.db2.gz KDBABOOJKQZWOS-QGZVFWFLSA-N 1 0 366.527 2.932 20 70 FFIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(C2CCOCC2)CC1 ZINC000159749572 508884990 /nfs/dbraw/zinc/88/49/90/508884990.db2.gz SYNOAEMLPXLFOV-DLBZAZTESA-N 1 0 351.535 2.955 20 70 FFIDRO C[C@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000159772275 508888402 /nfs/dbraw/zinc/88/84/02/508888402.db2.gz BOJYFVAQZHSWTH-OAHLLOKOSA-N 1 0 361.449 2.648 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000159796867 508892006 /nfs/dbraw/zinc/89/20/06/508892006.db2.gz YETVRSNFSUKULJ-UHFFFAOYSA-N 1 0 370.291 2.695 20 70 FFIDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cccc(=O)n2C)C1 ZINC000159817070 508895207 /nfs/dbraw/zinc/89/52/07/508895207.db2.gz OKLQHAJZUAPGEK-IAGOWNOFSA-N 1 0 367.493 2.793 20 70 FFIDRO CCOc1cc(Cl)ccc1CNC(=O)NC[C@H](C)CN1CCOCC1 ZINC000159827588 508896784 /nfs/dbraw/zinc/89/67/84/508896784.db2.gz ZLCDAAQICFEVNB-AWEZNQCLSA-N 1 0 369.893 2.506 20 70 FFIDRO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159833192 508898448 /nfs/dbraw/zinc/89/84/48/508898448.db2.gz OCMSVUQRHFJSHW-IFXJQAMLSA-N 1 0 355.482 2.885 20 70 FFIDRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159832814 508898761 /nfs/dbraw/zinc/89/87/61/508898761.db2.gz OCMSVUQRHFJSHW-KUHUBIRLSA-N 1 0 355.482 2.885 20 70 FFIDRO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159832959 508898793 /nfs/dbraw/zinc/89/87/93/508898793.db2.gz OCMSVUQRHFJSHW-LIRRHRJNSA-N 1 0 355.482 2.885 20 70 FFIDRO CCc1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[nH]c(C)c1C(N)=O ZINC000159848356 508899942 /nfs/dbraw/zinc/89/99/42/508899942.db2.gz WZUIUSCDWRXFNY-UHFFFAOYSA-N 1 0 368.481 2.510 20 70 FFIDRO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159850805 508900128 /nfs/dbraw/zinc/90/01/28/508900128.db2.gz LNSHKTVIPWKZJE-LSDHHAIUSA-N 1 0 358.486 2.818 20 70 FFIDRO CCCNC(=O)[C@H]1CCCN([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000159876801 508904794 /nfs/dbraw/zinc/90/47/94/508904794.db2.gz ZBMWLRNCTWSYBN-RDJZCZTQSA-N 1 0 356.470 2.960 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1csc(-c2ccccc2F)n1 ZINC000159913474 508910355 /nfs/dbraw/zinc/91/03/55/508910355.db2.gz ROYQEEVMFJOPBR-CYBMUJFWSA-N 1 0 363.458 2.526 20 70 FFIDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000159934400 508913407 /nfs/dbraw/zinc/91/34/07/508913407.db2.gz NRMWAUZEDXELIW-GFCCVEGCSA-N 1 0 352.360 2.746 20 70 FFIDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(N(C)C)nc2)C[N@@H+]1Cc1ccccc1 ZINC000159963224 508918607 /nfs/dbraw/zinc/91/86/07/508918607.db2.gz JNSSFICMVIBDLU-MAUKXSAKSA-N 1 0 353.470 2.932 20 70 FFIDRO C[C@]1(O)CCCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000159984847 508920583 /nfs/dbraw/zinc/92/05/83/508920583.db2.gz FVMHVPJOOWTKJO-IBGZPJMESA-N 1 0 365.905 2.861 20 70 FFIDRO CSCC[C@H]([NH3+])C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000159997480 508922173 /nfs/dbraw/zinc/92/21/73/508922173.db2.gz PJWQBDUFVOLJMS-ZDUSSCGKSA-N 1 0 358.389 2.910 20 70 FFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000160030566 508928171 /nfs/dbraw/zinc/92/81/71/508928171.db2.gz GSOUPDDHPWYLLC-WDSOQIARSA-N 1 0 367.497 2.819 20 70 FFIDRO Cc1ccccc1-c1nc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cs1 ZINC000160041683 508928959 /nfs/dbraw/zinc/92/89/59/508928959.db2.gz IZTBXMMFVLMMSR-HNNXBMFYSA-N 1 0 359.495 2.695 20 70 FFIDRO C[C@@H]1C[C@@H](N(C)C(=O)NCCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000160044414 508929796 /nfs/dbraw/zinc/92/97/96/508929796.db2.gz KSPVNFNLPLCIRU-MJGOQNOKSA-N 1 0 355.486 2.578 20 70 FFIDRO COc1c(C)cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000160122032 508941394 /nfs/dbraw/zinc/94/13/94/508941394.db2.gz LJNDMKZICYSMDP-QGZVFWFLSA-N 1 0 366.527 2.951 20 70 FFIDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cnc3c(c2)ncn3C)cc1 ZINC000160134640 508943543 /nfs/dbraw/zinc/94/35/43/508943543.db2.gz ICVZDKBMRILSOY-UHFFFAOYSA-N 1 0 367.453 2.941 20 70 FFIDRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000160134808 508943985 /nfs/dbraw/zinc/94/39/85/508943985.db2.gz MUHSZCYAVQKECE-MGPUTAFESA-N 1 0 365.518 2.624 20 70 FFIDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000160149605 508946242 /nfs/dbraw/zinc/94/62/42/508946242.db2.gz ZOXNQHWZGCCULU-CQSZACIVSA-N 1 0 372.918 2.988 20 70 FFIDRO C[C@H](CNC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000160160225 508947879 /nfs/dbraw/zinc/94/78/79/508947879.db2.gz CLQJMXNXTXCQJM-AQNXPRMDSA-N 1 0 367.578 2.894 20 70 FFIDRO COc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC000160179761 508949966 /nfs/dbraw/zinc/94/99/66/508949966.db2.gz HWZDIIDEHIAQSD-INIZCTEOSA-N 1 0 352.500 2.643 20 70 FFIDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000160202862 508953469 /nfs/dbraw/zinc/95/34/69/508953469.db2.gz FGYHUHOXLDSRPO-NRFANRHFSA-N 1 0 359.514 2.975 20 70 FFIDRO Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](CNC(=O)C(C)C)C3)C2=O)cc1 ZINC000160216303 508955299 /nfs/dbraw/zinc/95/52/99/508955299.db2.gz AMFCCJLVAQYPFF-IEBWSBKVSA-N 1 0 357.498 2.585 20 70 FFIDRO CCOC(=O)C1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160216762 508956095 /nfs/dbraw/zinc/95/60/95/508956095.db2.gz CYSKIZVAOMLZDJ-QFBILLFUSA-N 1 0 373.497 2.634 20 70 FFIDRO O=C(CCC(=O)c1cccs1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160238625 508958382 /nfs/dbraw/zinc/95/83/82/508958382.db2.gz BBNYAKQXYPLUIF-HZPDHXFCSA-N 1 0 364.511 2.595 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(-c2cccs2)n[nH]1 ZINC000160244728 508959024 /nfs/dbraw/zinc/95/90/24/508959024.db2.gz NZRGLJOSRQNXHF-SJORKVTESA-N 1 0 374.510 2.636 20 70 FFIDRO CC[C@@H](Oc1ccccc1F)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000160265284 508962490 /nfs/dbraw/zinc/96/24/90/508962490.db2.gz PTIAEMJMPVJPNY-QGZVFWFLSA-N 1 0 366.477 2.800 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000160271462 508963146 /nfs/dbraw/zinc/96/31/46/508963146.db2.gz ABPKQBOIGJZYDG-PCCBWWKXSA-N 1 0 352.478 2.906 20 70 FFIDRO O=C(CSCc1ccc(Cl)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160277034 508963903 /nfs/dbraw/zinc/96/39/03/508963903.db2.gz WDTCZPFQCVHOQM-INIZCTEOSA-N 1 0 356.919 2.536 20 70 FFIDRO CCOc1ccnc(N2CCC[N@H+](CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000160315522 508968972 /nfs/dbraw/zinc/96/89/72/508968972.db2.gz YKAJZOJIRQBLCE-UHFFFAOYSA-N 1 0 368.481 2.969 20 70 FFIDRO CC(C)(C)C(=O)N1CCC(C[N@H+](CCC(N)=O)Cc2ccccc2)CC1 ZINC000160339075 508972759 /nfs/dbraw/zinc/97/27/59/508972759.db2.gz RQXIZDYKPYINLR-UHFFFAOYSA-N 1 0 359.514 2.649 20 70 FFIDRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160355826 508974926 /nfs/dbraw/zinc/97/49/26/508974926.db2.gz AQNARVYZGJOXBI-DZGCQCFKSA-N 1 0 356.919 2.784 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)c1csc([C@H]2CCCO2)n1)Cc1ccccc1 ZINC000160362886 508976054 /nfs/dbraw/zinc/97/60/54/508976054.db2.gz ZUYGFHQCIBRGKM-DOTOQJQBSA-N 1 0 359.495 2.897 20 70 FFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(OCc3nccn3C)cc1)CC2 ZINC000160394329 508981329 /nfs/dbraw/zinc/98/13/29/508981329.db2.gz AERCJJJYVRHJDT-WMLDXEAASA-N 1 0 366.469 2.565 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1nc(Cl)ccc1Cl ZINC000160424084 508985213 /nfs/dbraw/zinc/98/52/13/508985213.db2.gz VRFNCRDAMOSVPN-UONOGXRCSA-N 1 0 372.296 2.886 20 70 FFIDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000160444238 508987460 /nfs/dbraw/zinc/98/74/60/508987460.db2.gz ZOJIEBFUCQLUQM-ZDUSSCGKSA-N 1 0 373.419 2.788 20 70 FFIDRO O=C(/C=C/c1c(F)cccc1F)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160474770 508992366 /nfs/dbraw/zinc/99/23/66/508992366.db2.gz DRGDADRCMTZXOL-VANUVFSVSA-N 1 0 364.436 2.862 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)ccc1F ZINC000160479926 508993127 /nfs/dbraw/zinc/99/31/27/508993127.db2.gz AONDBGUEEIEBER-SJORKVTESA-N 1 0 354.853 2.977 20 70 FFIDRO C[C@H]1C[C@@H](N(C)C(=O)NCCOCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000160527138 508998837 /nfs/dbraw/zinc/99/88/37/508998837.db2.gz GFNIXNFFFAVIBU-YOEHRIQHSA-N 1 0 353.894 2.981 20 70 FFIDRO O=C(C[NH2+][C@@H]1CCc2c1cc(Br)cc2F)NCC(F)(F)F ZINC000160535264 508999751 /nfs/dbraw/zinc/99/97/51/508999751.db2.gz OGLUOGWLSYWZRQ-LLVKDONJSA-N 1 0 369.156 2.844 20 70 FFIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160542072 509000325 /nfs/dbraw/zinc/00/03/25/509000325.db2.gz RQISZVZHBKKOIF-ROUUACIJSA-N 1 0 352.519 2.778 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C1 ZINC000160640405 509012934 /nfs/dbraw/zinc/01/29/34/509012934.db2.gz VTPOUAPCZYVNOG-ZDUSSCGKSA-N 1 0 371.441 2.569 20 70 FFIDRO CCc1ccccc1OCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160668802 509017394 /nfs/dbraw/zinc/01/73/94/509017394.db2.gz GLEODSBZQSDOKU-OALUTQOASA-N 1 0 360.498 2.512 20 70 FFIDRO O=C(Cc1c(F)cccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160692307 509021070 /nfs/dbraw/zinc/02/10/70/509021070.db2.gz YTTVTXPDZJVYGA-MSOLQXFVSA-N 1 0 368.880 2.906 20 70 FFIDRO Cc1conc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000160698235 509021755 /nfs/dbraw/zinc/02/17/55/509021755.db2.gz GFFXWURCIYZHRW-QGZVFWFLSA-N 1 0 370.453 2.511 20 70 FFIDRO Cc1cccc(OCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1C ZINC000160710746 509023373 /nfs/dbraw/zinc/02/33/73/509023373.db2.gz RXDUPASUYDXWTP-PMACEKPBSA-N 1 0 374.525 2.956 20 70 FFIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1cc(Br)cn1C ZINC000160813147 509036541 /nfs/dbraw/zinc/03/65/41/509036541.db2.gz IKGRDJDWTGGSSY-AWEZNQCLSA-N 1 0 373.339 2.905 20 70 FFIDRO CCc1c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[nH]c(C)c1C(N)=O ZINC000160831601 509037683 /nfs/dbraw/zinc/03/76/83/509037683.db2.gz VEWZZDILASFZFO-KRWDZBQOSA-N 1 0 368.481 2.551 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)Nc2cc(C[NH+](C)C)ccc2C)c1 ZINC000160944610 509051823 /nfs/dbraw/zinc/05/18/23/509051823.db2.gz VWFAZNHBVUVKAV-UHFFFAOYSA-N 1 0 353.466 2.988 20 70 FFIDRO CC(C)[NH+](CCSCC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000161015817 509060327 /nfs/dbraw/zinc/06/03/27/509060327.db2.gz GOSLNDIGPFAHRM-UHFFFAOYSA-N 1 0 372.556 2.881 20 70 FFIDRO CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000161027929 509061438 /nfs/dbraw/zinc/06/14/38/509061438.db2.gz PHHALKUJKIVYJM-VQTJNVASSA-N 1 0 359.514 2.762 20 70 FFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000161032124 509062169 /nfs/dbraw/zinc/06/21/69/509062169.db2.gz DBDFTUGGALGHDI-KRWDZBQOSA-N 1 0 359.514 2.836 20 70 FFIDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1C ZINC000161034827 509062461 /nfs/dbraw/zinc/06/24/61/509062461.db2.gz BAUHYQSNUFJVAC-MRXNPFEDSA-N 1 0 353.466 2.678 20 70 FFIDRO CCOc1ccc(NC(=O)C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000161038772 509062846 /nfs/dbraw/zinc/06/28/46/509062846.db2.gz PUJUDSQDTKGLQO-UHFFFAOYSA-N 1 0 359.392 2.640 20 70 FFIDRO C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000161091122 509070359 /nfs/dbraw/zinc/07/03/59/509070359.db2.gz BDGLUFDSLZLNIE-UWJYYQICSA-N 1 0 368.477 2.900 20 70 FFIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(NS(C)(=O)=O)cc1 ZINC000161127927 509074804 /nfs/dbraw/zinc/07/48/04/509074804.db2.gz OXLIASWQMOGCIT-CYBMUJFWSA-N 1 0 362.451 2.680 20 70 FFIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000161193401 509083511 /nfs/dbraw/zinc/08/35/11/509083511.db2.gz ICLISGWALHCGKB-IRXDYDNUSA-N 1 0 369.575 2.541 20 70 FFIDRO COc1ccccc1[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)N1CCCC1 ZINC000161218637 509087329 /nfs/dbraw/zinc/08/73/29/509087329.db2.gz HVLUGURPEAQZIS-QLOJAFMTSA-N 1 0 359.514 2.869 20 70 FFIDRO CCN(CCOc1ccc(Br)cc1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000161226336 509088739 /nfs/dbraw/zinc/08/87/39/509088739.db2.gz HWEKYCVZBLMKGU-INIZCTEOSA-N 1 0 355.276 2.676 20 70 FFIDRO Cc1nc(CC(C)C)c(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)s1 ZINC000161233794 509089929 /nfs/dbraw/zinc/08/99/29/509089929.db2.gz KAIMEVZGLWNPBL-CQSZACIVSA-N 1 0 368.547 2.681 20 70 FFIDRO C[C@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCN1CC(F)(F)F ZINC000161285299 509096558 /nfs/dbraw/zinc/09/65/58/509096558.db2.gz UMOIYJAUBHJKJT-AWEZNQCLSA-N 1 0 363.468 2.840 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)c1ccc(F)cc1 ZINC000161289637 509097395 /nfs/dbraw/zinc/09/73/95/509097395.db2.gz NLYGWCNLZHIZEK-QGZVFWFLSA-N 1 0 353.401 2.644 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C[C@H]2CCOC2)C2CC2)CC1 ZINC000161308603 509100500 /nfs/dbraw/zinc/10/05/00/509100500.db2.gz BWGVORIMVZOLHM-IAGOWNOFSA-N 1 0 372.513 2.818 20 70 FFIDRO Cc1ccc(N2CCC[C@@H](NC(=O)C[C@H](C)C3CC[NH2+]CC3)C2=O)cc1 ZINC000161319886 509101205 /nfs/dbraw/zinc/10/12/05/509101205.db2.gz MJSLWUKPUDPLDG-QFBILLFUSA-N 1 0 357.498 2.632 20 70 FFIDRO Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161384306 509109191 /nfs/dbraw/zinc/10/91/91/509109191.db2.gz GSUMHGNVJHHJGR-INIZCTEOSA-N 1 0 357.376 2.615 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2c1 ZINC000161404909 509112285 /nfs/dbraw/zinc/11/22/85/509112285.db2.gz HULIOIMRISBODC-DZGCQCFKSA-N 1 0 357.454 2.552 20 70 FFIDRO CC[C@H](NC(=O)Nc1ccc(CCN2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000161489818 509121016 /nfs/dbraw/zinc/12/10/16/509121016.db2.gz ROAHGZYCQYYYQD-OALUTQOASA-N 1 0 361.486 2.640 20 70 FFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000159377898 508833184 /nfs/dbraw/zinc/83/31/84/508833184.db2.gz LEJBWOUCZLQCBL-HNNXBMFYSA-N 1 0 370.478 2.912 20 70 FFIDRO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)CC1 ZINC000159378605 508833292 /nfs/dbraw/zinc/83/32/92/508833292.db2.gz BMEJTCGAONTKBD-OALUTQOASA-N 1 0 362.514 2.752 20 70 FFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000159453847 508843702 /nfs/dbraw/zinc/84/37/02/508843702.db2.gz TWGYELPPGZKPAX-STQMWFEESA-N 1 0 361.467 2.640 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000159461463 508845347 /nfs/dbraw/zinc/84/53/47/508845347.db2.gz RNMYQXPQHNZALQ-GFCCVEGCSA-N 1 0 355.841 2.512 20 70 FFIDRO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000159480412 508847816 /nfs/dbraw/zinc/84/78/16/508847816.db2.gz BQMCKOKVBOLRNJ-AWEZNQCLSA-N 1 0 351.878 2.681 20 70 FFIDRO COC(=O)c1cccc(CC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1 ZINC000159534153 508854806 /nfs/dbraw/zinc/85/48/06/508854806.db2.gz AKQIZHYVPONHSF-UHFFFAOYSA-N 1 0 372.440 2.745 20 70 FFIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000159550048 508857429 /nfs/dbraw/zinc/85/74/29/508857429.db2.gz MUNAHVIJSSIMMA-SFHVURJKSA-N 1 0 371.481 2.532 20 70 FFIDRO O=C(c1c[nH]nc1-c1ccccc1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000159563058 508858731 /nfs/dbraw/zinc/85/87/31/508858731.db2.gz DJBPQXJTESOVLY-GOSISDBHSA-N 1 0 368.481 2.794 20 70 FFIDRO C[C@H](CNC(=O)CCCc1nc(C2CC2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000159575928 508860603 /nfs/dbraw/zinc/86/06/03/508860603.db2.gz XHVMXLNFIVSWIJ-OAHLLOKOSA-N 1 0 368.481 2.833 20 70 FFIDRO CCC(CC)[C@@H](CNC(=O)C[C@@H](C)c1c(C)n[nH]c1C)[NH+]1CCOCC1 ZINC000159580030 508861710 /nfs/dbraw/zinc/86/17/10/508861710.db2.gz DCPYHOPGRBDEEV-RDTXWAMCSA-N 1 0 364.534 2.773 20 70 FFIDRO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H](O)c2ccsc2)cc1 ZINC000159596376 508863584 /nfs/dbraw/zinc/86/35/84/508863584.db2.gz JDEFRUPWYPHOHA-GOSISDBHSA-N 1 0 362.495 2.932 20 70 FFIDRO Cc1nc(C)c(CN2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000159607587 508865167 /nfs/dbraw/zinc/86/51/67/508865167.db2.gz BRULMGOGMNQBJB-UHFFFAOYSA-N 1 0 351.438 2.847 20 70 FFIDRO C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000159628862 508867983 /nfs/dbraw/zinc/86/79/83/508867983.db2.gz LVYYWXRUVBKBPR-CXAGYDPISA-N 1 0 352.425 2.860 20 70 FFIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000159632324 508868865 /nfs/dbraw/zinc/86/88/65/508868865.db2.gz QDJMYHXPGPTTBD-HOCLYGCPSA-N 1 0 363.889 2.987 20 70 FFIDRO CCc1ccc([C@H](CNC(=O)[C@@H]2CCCN2C(=O)NC(C)C)[NH+](C)C)cc1 ZINC000159651730 508871047 /nfs/dbraw/zinc/87/10/47/508871047.db2.gz UPLFZCTXZZYRRX-OALUTQOASA-N 1 0 374.529 2.550 20 70 FFIDRO COc1cccc(-c2nc(C)c(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)[nH]2)c1 ZINC000159723273 508880827 /nfs/dbraw/zinc/88/08/27/508880827.db2.gz VFUCQWMSHPGBOA-FUHWJXTLSA-N 1 0 368.481 2.950 20 70 FFIDRO CC(C)CCn1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)n1 ZINC000159750361 508884846 /nfs/dbraw/zinc/88/48/46/508884846.db2.gz IPPJPUMAQOUGOT-UHFFFAOYSA-N 1 0 358.490 2.920 20 70 FFIDRO CC(C)Cn1ncc2cc(C(=O)N3CCC([NH2+]CC4CC4)CC3)cnc21 ZINC000159760193 508886499 /nfs/dbraw/zinc/88/64/99/508886499.db2.gz OILLUJGNUNSNMD-UHFFFAOYSA-N 1 0 355.486 2.692 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000159763140 508887366 /nfs/dbraw/zinc/88/73/66/508887366.db2.gz DIJGNYVATOEKOL-CABCVRRESA-N 1 0 366.531 2.801 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000159794102 508892135 /nfs/dbraw/zinc/89/21/35/508892135.db2.gz RCTFJHHOZPPZGY-UHFFFAOYSA-N 1 0 371.428 2.576 20 70 FFIDRO CC[N@H+](CCNC(=O)Cc1cc(OC)ccc1Br)C(C)C ZINC000159800554 508892863 /nfs/dbraw/zinc/89/28/63/508892863.db2.gz KUBXLULMWUANKK-UHFFFAOYSA-N 1 0 357.292 2.847 20 70 FFIDRO CC[NH+]1CCN(CCCNC(=O)c2cccc(-c3nc(C)cs3)c2)CC1 ZINC000159807052 508893985 /nfs/dbraw/zinc/89/39/85/508893985.db2.gz LWUNNIWHLJCIJB-UHFFFAOYSA-N 1 0 372.538 2.876 20 70 FFIDRO C[N@H+](CCN1CCN(Cc2cnc3ccccn23)CC1)Cc1ccccc1 ZINC000159818473 508895343 /nfs/dbraw/zinc/89/53/43/508895343.db2.gz ICMBXHNGSWCPGV-UHFFFAOYSA-N 1 0 363.509 2.584 20 70 FFIDRO C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CCC(=O)N(C)C2)CCCC1)c1ccccc1 ZINC000159874787 508904428 /nfs/dbraw/zinc/90/44/28/508904428.db2.gz JAYAYZINSNNVHA-WMZOPIPTSA-N 1 0 372.513 2.570 20 70 FFIDRO C[C@H]1C[C@H](NC(=O)NC[C@H](O)c2ccsc2)C[N@@H+]1Cc1ccccc1 ZINC000159919035 508911711 /nfs/dbraw/zinc/91/17/11/508911711.db2.gz VTRKJBGGRZGLRC-WBAXXEDZSA-N 1 0 359.495 2.744 20 70 FFIDRO CC[C@@H](COC)NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000159919387 508911939 /nfs/dbraw/zinc/91/19/39/508911939.db2.gz VHIQTINLAZUFRX-WMZOPIPTSA-N 1 0 363.502 2.611 20 70 FFIDRO CCCC[N@H+](C)CCNC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000159950792 508915905 /nfs/dbraw/zinc/91/59/05/508915905.db2.gz DLCKGTUCSVEJQS-UHFFFAOYSA-N 1 0 352.500 2.788 20 70 FFIDRO COCC[C@@H](C)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCC(C)CC1 ZINC000159957483 508917398 /nfs/dbraw/zinc/91/73/98/508917398.db2.gz SASAWNOTQPHRFH-QGZVFWFLSA-N 1 0 368.543 2.763 20 70 FFIDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000160018007 508925604 /nfs/dbraw/zinc/92/56/04/508925604.db2.gz CGVKZBFMQQIKOT-AEFFLSMTSA-N 1 0 359.495 2.755 20 70 FFIDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000160044059 508929607 /nfs/dbraw/zinc/92/96/07/508929607.db2.gz BZWNPWVYGJALIK-QGZVFWFLSA-N 1 0 371.485 2.795 20 70 FFIDRO COc1cccc([C@@H](O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000160097525 508938055 /nfs/dbraw/zinc/93/80/55/508938055.db2.gz LZLXNQONSBADHJ-HXUWFJFHSA-N 1 0 372.440 2.649 20 70 FFIDRO Cc1ccc(-c2nc(C)c(C(=O)NC[C@H](O)C[NH+]3CCCCC3)s2)o1 ZINC000160096097 508938249 /nfs/dbraw/zinc/93/82/49/508938249.db2.gz IARIIOKPATXQNT-AWEZNQCLSA-N 1 0 363.483 2.597 20 70 FFIDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000160107255 508939805 /nfs/dbraw/zinc/93/98/05/508939805.db2.gz XHVQABKZKKNJPG-UHFFFAOYSA-N 1 0 372.860 2.845 20 70 FFIDRO CC(=O)Nc1ccc(Cl)c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1 ZINC000160112761 508940240 /nfs/dbraw/zinc/94/02/40/508940240.db2.gz YUOQKPTZBFVOLN-UHFFFAOYSA-N 1 0 374.872 2.897 20 70 FFIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160119195 508941402 /nfs/dbraw/zinc/94/14/02/508941402.db2.gz IQNQOZDKPUHQIW-HXUWFJFHSA-N 1 0 373.545 2.563 20 70 FFIDRO O=S(=O)(c1cc(F)c(F)cc1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160152810 508946150 /nfs/dbraw/zinc/94/61/50/508946150.db2.gz FVFGGNAVPRQLDZ-GFCCVEGCSA-N 1 0 362.417 2.743 20 70 FFIDRO C[C@H](CNC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000160160455 508947688 /nfs/dbraw/zinc/94/76/88/508947688.db2.gz CLQJMXNXTXCQJM-VAMGGRTRSA-N 1 0 367.578 2.894 20 70 FFIDRO CC(C)(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000160165261 508948486 /nfs/dbraw/zinc/94/84/86/508948486.db2.gz VWVMEYNUWDUHER-MRXNPFEDSA-N 1 0 372.431 2.946 20 70 FFIDRO COC(=O)[C@H]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000160197762 508952873 /nfs/dbraw/zinc/95/28/73/508952873.db2.gz NQCMTSJWDGNLBA-WMZOPIPTSA-N 1 0 373.497 2.807 20 70 FFIDRO CC(C)OCC[NH+]1CCC(NC(=O)CCc2ccc(F)cc2F)CC1 ZINC000160202939 508953456 /nfs/dbraw/zinc/95/34/56/508953456.db2.gz HVNBTEINMVRSHI-UHFFFAOYSA-N 1 0 354.441 2.903 20 70 FFIDRO C[C@@H](CNC(=O)NCCOc1ncccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000160202259 508953692 /nfs/dbraw/zinc/95/36/92/508953692.db2.gz GGLXOWJCXQPYNI-KBPBESRZSA-N 1 0 354.882 2.533 20 70 FFIDRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc2c[nH]nc21 ZINC000160213744 508955283 /nfs/dbraw/zinc/95/52/83/508955283.db2.gz FBADCEWWBOMUFX-UHFFFAOYSA-N 1 0 365.437 2.982 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000160229959 508957815 /nfs/dbraw/zinc/95/78/15/508957815.db2.gz GEKFQKOFUWWZHJ-DLBZAZTESA-N 1 0 374.529 2.997 20 70 FFIDRO O=C(Cc1c[nH]c2ccccc12)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160238251 508958333 /nfs/dbraw/zinc/95/83/33/508958333.db2.gz JZMHWGXEMBKBOU-VQTJNVASSA-N 1 0 355.482 2.595 20 70 FFIDRO O=C(C[C@H]1CSCCS1)Nc1ccc(CCN2CCOCC2)cc1 ZINC000160267122 508962480 /nfs/dbraw/zinc/96/24/80/508962480.db2.gz CMJGNDGXPZNEHH-KRWDZBQOSA-N 1 0 366.552 2.739 20 70 FFIDRO CCCN(C)c1ccc(C(=O)N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC000160266898 508962663 /nfs/dbraw/zinc/96/26/63/508962663.db2.gz ZRQMFMSGBDHTFV-UHFFFAOYSA-N 1 0 361.530 2.963 20 70 FFIDRO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000160273916 508963028 /nfs/dbraw/zinc/96/30/28/508963028.db2.gz HJKZYYDAGSAWBZ-FHWLQOOXSA-N 1 0 365.562 2.899 20 70 FFIDRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)CCc2nccs2)CC1 ZINC000160321992 508970274 /nfs/dbraw/zinc/97/02/74/508970274.db2.gz QFLRDAKHNDWTPC-UHFFFAOYSA-N 1 0 373.526 2.991 20 70 FFIDRO Cc1cc(C)cc(OCCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160349873 508974454 /nfs/dbraw/zinc/97/44/54/508974454.db2.gz WCOJYSVBRDAXML-LEWJYISDSA-N 1 0 374.525 2.956 20 70 FFIDRO COc1cccc(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160347970 508974497 /nfs/dbraw/zinc/97/44/97/508974497.db2.gz JMOKNOAULXZGOL-WOJBJXKFSA-N 1 0 360.498 2.512 20 70 FFIDRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N1CCC2(CCC2)C1 ZINC000160353996 508975354 /nfs/dbraw/zinc/97/53/54/508975354.db2.gz SAGHNELRCMHFGO-UHFFFAOYSA-N 1 0 356.514 2.784 20 70 FFIDRO CCC[C@@H]1CN(C(=O)Nc2cnc(C(C)(C)C)nc2)CC[N@@H+]1CCOC ZINC000160381961 508978512 /nfs/dbraw/zinc/97/85/12/508978512.db2.gz DUZNSNUFPNRFFM-MRXNPFEDSA-N 1 0 363.506 2.739 20 70 FFIDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1OC(F)F ZINC000160379671 508978609 /nfs/dbraw/zinc/97/86/09/508978609.db2.gz RZHJOKSESVSAKF-ZWNOBZJWSA-N 1 0 352.385 2.862 20 70 FFIDRO O=C(CCCOc1cccc2ccccc21)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160398861 508980935 /nfs/dbraw/zinc/98/09/35/508980935.db2.gz WWBQHVLUACQQRW-LJQANCHMSA-N 1 0 370.493 2.962 20 70 FFIDRO CNC(=O)c1cccc(CCC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000160414461 508984011 /nfs/dbraw/zinc/98/40/11/508984011.db2.gz WGRUTMFINPNAIT-HRAATJIYSA-N 1 0 359.514 2.606 20 70 FFIDRO C[NH+](C)[C@@H](CNC(=O)C[NH2+]C1(c2cccc(F)c2)CC1)c1ccccc1 ZINC000160457845 508989941 /nfs/dbraw/zinc/98/99/41/508989941.db2.gz MCXAJBMMMVQBQQ-IBGZPJMESA-N 1 0 355.457 2.824 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CSc2ccccc21 ZINC000160475844 508992568 /nfs/dbraw/zinc/99/25/68/508992568.db2.gz OAZBAESLZLGACS-KSZLIROESA-N 1 0 360.523 2.760 20 70 FFIDRO C[C@@H]1C[C@H](N(C)C(=O)NCCOCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000160526758 508998674 /nfs/dbraw/zinc/99/86/74/508998674.db2.gz GFNIXNFFFAVIBU-RHSMWYFYSA-N 1 0 353.894 2.981 20 70 FFIDRO C[C@@H]1C[C@@H](N(C)C(=O)NCCOCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000160527003 508998868 /nfs/dbraw/zinc/99/88/68/508998868.db2.gz GFNIXNFFFAVIBU-PBHICJAKSA-N 1 0 353.894 2.981 20 70 FFIDRO COc1cc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)ccc1OC(F)F ZINC000160543029 509000610 /nfs/dbraw/zinc/00/06/10/509000610.db2.gz YINYWPMJVQGRPO-MRVPVSSYSA-N 1 0 356.291 2.626 20 70 FFIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000160612779 509009774 /nfs/dbraw/zinc/00/97/74/509009774.db2.gz OPLBMQIPLSJKJZ-IRXDYDNUSA-N 1 0 372.575 2.559 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1csc(CCc2ccccc2)n1 ZINC000160656843 509015432 /nfs/dbraw/zinc/01/54/32/509015432.db2.gz CAFWFTWMYCJPMH-KRWDZBQOSA-N 1 0 373.522 2.505 20 70 FFIDRO O=C(CCC(=O)c1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160658713 509015894 /nfs/dbraw/zinc/01/58/94/509015894.db2.gz FSOJCRYRXVYEMA-AZUAARDMSA-N 1 0 358.482 2.534 20 70 FFIDRO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](O)C[NH+]3CCCCC3)o2)cc1 ZINC000160671755 509017491 /nfs/dbraw/zinc/01/74/91/509017491.db2.gz NZUCIHBYIIYVFM-GOSISDBHSA-N 1 0 371.481 2.546 20 70 FFIDRO CCc1ccccc1OCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160669069 509017704 /nfs/dbraw/zinc/01/77/04/509017704.db2.gz GLEODSBZQSDOKU-RBUKOAKNSA-N 1 0 360.498 2.512 20 70 FFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000160699190 509021713 /nfs/dbraw/zinc/02/17/13/509021713.db2.gz LBHKDBBFPUTGGI-QGZVFWFLSA-N 1 0 367.497 2.936 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000160708060 509023725 /nfs/dbraw/zinc/02/37/25/509023725.db2.gz VRKJUMBLFFQZEE-KRWDZBQOSA-N 1 0 370.449 2.717 20 70 FFIDRO Cc1ccc(C)c(OCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000160741463 509027321 /nfs/dbraw/zinc/02/73/21/509027321.db2.gz JFLDKXZXZPALHP-RBUKOAKNSA-N 1 0 360.498 2.566 20 70 FFIDRO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000160741663 509027376 /nfs/dbraw/zinc/02/73/76/509027376.db2.gz SRSHPORPTFOBKZ-IHPCNDPISA-N 1 0 373.541 2.560 20 70 FFIDRO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000160741836 509027624 /nfs/dbraw/zinc/02/76/24/509027624.db2.gz SRSHPORPTFOBKZ-SXLOBPIMSA-N 1 0 373.541 2.560 20 70 FFIDRO CCCNC(=O)CN1CCC([NH2+][C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000160746416 509028425 /nfs/dbraw/zinc/02/84/25/509028425.db2.gz SQKBAICLNKMWBV-SFHVURJKSA-N 1 0 353.457 2.996 20 70 FFIDRO CCN(C(=O)c1cccc(=O)n1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000160765136 509029649 /nfs/dbraw/zinc/02/96/49/509029649.db2.gz MNKSGWGUQRDNRO-FUHWJXTLSA-N 1 0 353.466 2.683 20 70 FFIDRO COc1cccc(Cl)c1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160784029 509032746 /nfs/dbraw/zinc/03/27/46/509032746.db2.gz DXSZRAOUTXFHLS-HZPDHXFCSA-N 1 0 374.868 2.714 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)nc2)CC1 ZINC000160789423 509033544 /nfs/dbraw/zinc/03/35/44/509033544.db2.gz DYHPENMTSLZGFT-DOTOQJQBSA-N 1 0 372.419 2.854 20 70 FFIDRO C[C@@]1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCS1 ZINC000160861678 509040685 /nfs/dbraw/zinc/04/06/85/509040685.db2.gz MMAFMDYBKYCXRP-INIZCTEOSA-N 1 0 357.589 2.933 20 70 FFIDRO Cc1c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cnn1C1CCOCC1 ZINC000160885298 509043691 /nfs/dbraw/zinc/04/36/91/509043691.db2.gz OXXRWNKGJNXCGJ-HNNXBMFYSA-N 1 0 362.518 2.783 20 70 FFIDRO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000160906423 509046684 /nfs/dbraw/zinc/04/66/84/509046684.db2.gz ZRRWNWMJERPMLH-UHFFFAOYSA-N 1 0 374.451 2.985 20 70 FFIDRO CN(C)C(=O)Nc1cccc(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000160955278 509052595 /nfs/dbraw/zinc/05/25/95/509052595.db2.gz YNNWRTDQSIVALA-GOSISDBHSA-N 1 0 354.454 2.877 20 70 FFIDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160977333 509055849 /nfs/dbraw/zinc/05/58/49/509055849.db2.gz ZHZLVAPRTCLANB-IAGOWNOFSA-N 1 0 366.465 2.676 20 70 FFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000160979287 509056527 /nfs/dbraw/zinc/05/65/27/509056527.db2.gz DKTNFMSRFPWQLJ-HNNXBMFYSA-N 1 0 370.449 2.824 20 70 FFIDRO COCCOc1cccc(CC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000160991846 509057231 /nfs/dbraw/zinc/05/72/31/509057231.db2.gz OLQFVNVDSOOVIW-QGZVFWFLSA-N 1 0 362.495 2.735 20 70 FFIDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c2ccccc21 ZINC000161009514 509059270 /nfs/dbraw/zinc/05/92/70/509059270.db2.gz CNMUWDHCYSNWIY-AUUYWEPGSA-N 1 0 351.450 2.630 20 70 FFIDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c2ccccc21 ZINC000161009610 509059336 /nfs/dbraw/zinc/05/93/36/509059336.db2.gz CNMUWDHCYSNWIY-IFXJQAMLSA-N 1 0 351.450 2.630 20 70 FFIDRO C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1ccc(NC(N)=O)cc1 ZINC000161043519 509063849 /nfs/dbraw/zinc/06/38/49/509063849.db2.gz ZSIRYMVPPNUNLG-HNNXBMFYSA-N 1 0 361.490 2.659 20 70 FFIDRO CC[C@H](COC)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161040993 509063863 /nfs/dbraw/zinc/06/38/63/509063863.db2.gz AOQLOYOXHQRZSB-CQSZACIVSA-N 1 0 357.292 2.812 20 70 FFIDRO CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161066046 509066846 /nfs/dbraw/zinc/06/68/46/509066846.db2.gz OVNKFUITKMLTFX-UHFFFAOYSA-N 1 0 353.466 2.527 20 70 FFIDRO CC[NH+]1CCN(CCC(=O)NC2(c3ccc(F)cc3F)CCCC2)CC1 ZINC000161092894 509070229 /nfs/dbraw/zinc/07/02/29/509070229.db2.gz MZHLLASCCXWYHP-UHFFFAOYSA-N 1 0 365.468 2.878 20 70 FFIDRO C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000161092417 509070678 /nfs/dbraw/zinc/07/06/78/509070678.db2.gz OLTVGYZFDAHDTF-YJBOKZPZSA-N 1 0 374.506 2.961 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)CC1 ZINC000161099904 509071089 /nfs/dbraw/zinc/07/10/89/509071089.db2.gz RLTGRFWALFBVQQ-SFHVURJKSA-N 1 0 365.905 2.755 20 70 FFIDRO CCc1nn(C)cc1CNC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161103784 509072107 /nfs/dbraw/zinc/07/21/07/509072107.db2.gz LIBFPZLYMIADHW-IBGZPJMESA-N 1 0 369.513 2.789 20 70 FFIDRO CCc1ccc([C@H](CNC(=O)NCc2ccccc2CO)[NH+](C)C)cc1 ZINC000161114876 509073693 /nfs/dbraw/zinc/07/36/93/509073693.db2.gz YRQSGFJCUVRUKA-FQEVSTJZSA-N 1 0 355.482 2.843 20 70 FFIDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1c(F)cccc1F ZINC000161121284 509074091 /nfs/dbraw/zinc/07/40/91/509074091.db2.gz KTTJYBUARQWBKO-UHFFFAOYSA-N 1 0 360.470 2.847 20 70 FFIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161129593 509074943 /nfs/dbraw/zinc/07/49/43/509074943.db2.gz IMFMQZROQGKZCC-LLVKDONJSA-N 1 0 352.232 2.595 20 70 FFIDRO CC(C)c1noc(CCCNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000161172398 509080642 /nfs/dbraw/zinc/08/06/42/509080642.db2.gz DNFRYFBYYOKYBS-KRWDZBQOSA-N 1 0 373.501 2.598 20 70 FFIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2F)C[C@H](C)O1 ZINC000161196376 509084457 /nfs/dbraw/zinc/08/44/57/509084457.db2.gz DKALNXGYSJFYRI-DAYGRLMNSA-N 1 0 366.452 2.998 20 70 FFIDRO Cc1ccc([C@H](CNC(=O)N2CCCN(CC(F)F)CC2)[NH+](C)C)cc1 ZINC000161210452 509086473 /nfs/dbraw/zinc/08/64/73/509086473.db2.gz DSPCHIZAYYDOFY-KRWDZBQOSA-N 1 0 368.472 2.580 20 70 FFIDRO C[C@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)C[NH+]1CCCCC1 ZINC000161210258 509086777 /nfs/dbraw/zinc/08/67/77/509086777.db2.gz XMCHYJAURUTEEH-OAHLLOKOSA-N 1 0 361.461 2.804 20 70 FFIDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000161241957 509090616 /nfs/dbraw/zinc/09/06/16/509090616.db2.gz CKUGKZMBMRLSGL-QGZVFWFLSA-N 1 0 367.515 2.578 20 70 FFIDRO CC[C@H](C)[C@](C)(O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161249653 509092570 /nfs/dbraw/zinc/09/25/70/509092570.db2.gz YSYGMOCJEPSPSX-TWOQFEAHSA-N 1 0 362.518 2.703 20 70 FFIDRO CCOc1ccc(-c2nc(CC(=O)N3CCC[C@H]3C[NH2+]C)cs2)cc1 ZINC000161312901 509100916 /nfs/dbraw/zinc/10/09/16/509100916.db2.gz VGXCTAHPYOALJO-INIZCTEOSA-N 1 0 359.495 2.962 20 70 FFIDRO C[C@]1(O)CCCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000161338275 509103625 /nfs/dbraw/zinc/10/36/25/509103625.db2.gz QRLLGYGABZPBNB-QAPCUYQASA-N 1 0 351.516 2.517 20 70 FFIDRO CC(C)CCn1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000161347014 509105016 /nfs/dbraw/zinc/10/50/16/509105016.db2.gz PSALOYLBLFAZNI-INIZCTEOSA-N 1 0 363.506 2.552 20 70 FFIDRO CCC(CC)[C@@H](CNC(=O)Nc1cccc(-c2ncn(C)n2)c1)[NH+](C)C ZINC000161510836 509123301 /nfs/dbraw/zinc/12/33/01/509123301.db2.gz ZYLWHTPMCWIUOR-QGZVFWFLSA-N 1 0 358.490 2.970 20 70 FFIDRO CC(C)(C)C(=O)NCc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000159372422 508832197 /nfs/dbraw/zinc/83/21/97/508832197.db2.gz OIRNRKFISOKLCM-UHFFFAOYSA-N 1 0 357.498 2.706 20 70 FFIDRO Cc1ccccc1OCCC[N@@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000159447079 508843147 /nfs/dbraw/zinc/84/31/47/508843147.db2.gz DTWGVDRSOCVNIR-SFHVURJKSA-N 1 0 356.470 2.625 20 70 FFIDRO CC[C@@H](C)NC(=O)CCNC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159451086 508844057 /nfs/dbraw/zinc/84/40/57/508844057.db2.gz XHRZJIGEFTXPHX-MJGOQNOKSA-N 1 0 374.529 2.597 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000159461595 508845195 /nfs/dbraw/zinc/84/51/95/508845195.db2.gz RNMYQXPQHNZALQ-LBPRGKRZSA-N 1 0 355.841 2.512 20 70 FFIDRO CCc1ccc([C@@H](CO)NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000159491147 508849428 /nfs/dbraw/zinc/84/94/28/508849428.db2.gz FZTLCODZWVYGGB-HXUWFJFHSA-N 1 0 373.472 2.853 20 70 FFIDRO O=C(Nc1cccc(-n2ccnn2)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000159495644 508850164 /nfs/dbraw/zinc/85/01/64/508850164.db2.gz GUBWOQKCMMYNET-DNVCBOLYSA-N 1 0 366.469 2.748 20 70 FFIDRO C[C@@H](CC(=O)N(C)C)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159575438 508860328 /nfs/dbraw/zinc/86/03/28/508860328.db2.gz SUDYVEPKDUUMOQ-QFBILLFUSA-N 1 0 353.466 2.693 20 70 FFIDRO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159579244 508861368 /nfs/dbraw/zinc/86/13/68/508861368.db2.gz JMPIZCNGHOCANQ-YCPHGPKFSA-N 1 0 361.511 2.736 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCc2nnc(-c3ccccc3)o2)C1 ZINC000159602484 508864683 /nfs/dbraw/zinc/86/46/83/508864683.db2.gz VTLQALFYGCUFTD-MRXNPFEDSA-N 1 0 371.485 2.556 20 70 FFIDRO NC(=O)CC1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000159741682 508883192 /nfs/dbraw/zinc/88/31/92/508883192.db2.gz KGJCONIUWBSFSG-UHFFFAOYSA-N 1 0 366.387 2.979 20 70 FFIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CSc1nc[nH]n1 ZINC000159766024 508887027 /nfs/dbraw/zinc/88/70/27/508887027.db2.gz TUPXZNQNLPUXMX-OAHLLOKOSA-N 1 0 359.499 2.701 20 70 FFIDRO Cc1cccc2nc(CNC(=O)c3ccccc3OCC[NH+](C)C)n(C)c21 ZINC000159820062 508896267 /nfs/dbraw/zinc/89/62/67/508896267.db2.gz KJLQUKIFFNRQEZ-UHFFFAOYSA-N 1 0 366.465 2.752 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000159835889 508898655 /nfs/dbraw/zinc/89/86/55/508898655.db2.gz UGRJNAXJDRGKPF-JKSUJKDBSA-N 1 0 351.516 2.566 20 70 FFIDRO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 ZINC000159851050 508900262 /nfs/dbraw/zinc/90/02/62/508900262.db2.gz LNSHKTVIPWKZJE-HUUCEWRRSA-N 1 0 358.486 2.818 20 70 FFIDRO C[N@H+](CCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)Cc1ccccc1 ZINC000159857019 508901650 /nfs/dbraw/zinc/90/16/50/508901650.db2.gz UJBCRCJXJCBGKL-UHFFFAOYSA-N 1 0 368.481 2.703 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000159859444 508901745 /nfs/dbraw/zinc/90/17/45/508901745.db2.gz CHQURJWJMAMMGT-AWEZNQCLSA-N 1 0 364.467 2.565 20 70 FFIDRO C[C@@H](C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C)[NH+](C)C ZINC000159911506 508910154 /nfs/dbraw/zinc/91/01/54/508910154.db2.gz HIMWTANTFVXKTE-XUJVJEKNSA-N 1 0 355.276 2.688 20 70 FFIDRO C[NH+](C)CCCC1CCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000159933558 508913703 /nfs/dbraw/zinc/91/37/03/508913703.db2.gz WHJHCWAUVAWATR-UHFFFAOYSA-N 1 0 361.486 2.721 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000159948721 508916059 /nfs/dbraw/zinc/91/60/59/508916059.db2.gz HHZYRCQQXXVJFZ-DLBZAZTESA-N 1 0 363.465 2.965 20 70 FFIDRO C[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC4(CCC4)C3)cc2)CC1 ZINC000160030943 508928234 /nfs/dbraw/zinc/92/82/34/508928234.db2.gz DNOUHAXUOAGSJV-UHFFFAOYSA-N 1 0 356.514 2.520 20 70 FFIDRO COc1ccccc1OCc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)o1 ZINC000160046677 508929559 /nfs/dbraw/zinc/92/95/59/508929559.db2.gz CXALEHKGTHJCKT-GASCZTMLSA-N 1 0 356.422 2.834 20 70 FFIDRO CC[C@@H](CNC(=O)c1cnc2c(c1)ncn2C)[N@@H+]1CCc2ccccc2C1 ZINC000160094560 508937238 /nfs/dbraw/zinc/93/72/38/508937238.db2.gz GXYFRCCXAUEKLX-SFHVURJKSA-N 1 0 363.465 2.535 20 70 FFIDRO O=S(=O)(c1cccc2cnccc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160115608 508940299 /nfs/dbraw/zinc/94/02/99/508940299.db2.gz PAQMVPHWWMQKDY-QGZVFWFLSA-N 1 0 359.495 2.874 20 70 FFIDRO CN(C)[C@H](CNC(=O)NCc1ccc(O)c(F)c1)c1c(F)cccc1F ZINC000160122583 508941311 /nfs/dbraw/zinc/94/13/11/508941311.db2.gz WIPJEOXDXFELOC-OAHLLOKOSA-N 1 0 367.371 2.912 20 70 FFIDRO Cc1conc1NC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000160145607 508945245 /nfs/dbraw/zinc/94/52/45/508945245.db2.gz KKVMXYYUWWDRDA-HNNXBMFYSA-N 1 0 370.453 2.612 20 70 FFIDRO O=C(Cc1cc(F)c(F)cc1F)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160153030 508946254 /nfs/dbraw/zinc/94/62/54/508946254.db2.gz TUFWQWYUSAUEPX-QZTJIDSGSA-N 1 0 370.415 2.531 20 70 FFIDRO CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000160162043 508947524 /nfs/dbraw/zinc/94/75/24/508947524.db2.gz QKMKVLRPYFTSPJ-HNNXBMFYSA-N 1 0 374.462 2.963 20 70 FFIDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000160165648 508948305 /nfs/dbraw/zinc/94/83/05/508948305.db2.gz DNFCNFJUYWGJGG-CYBMUJFWSA-N 1 0 354.394 2.627 20 70 FFIDRO C[C@H](NC(=O)c1cnc(C(F)(F)F)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000160220035 508956115 /nfs/dbraw/zinc/95/61/15/508956115.db2.gz CIRLDQVTKZORQI-RYUDHWBXSA-N 1 0 356.392 2.878 20 70 FFIDRO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000160245208 508960068 /nfs/dbraw/zinc/96/00/68/508960068.db2.gz VZGJZBRBPCROAU-PXNSSMCTSA-N 1 0 371.525 2.588 20 70 FFIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(-c2ccccc2)on1 ZINC000160254516 508960779 /nfs/dbraw/zinc/96/07/79/508960779.db2.gz KAERWYWJQVVLBY-RTBURBONSA-N 1 0 369.465 2.839 20 70 FFIDRO Cc1cc2ncn(C[C@@H](O)C[NH+]3CCN(c4cccs4)CC3)c2cc1C ZINC000160317814 508969926 /nfs/dbraw/zinc/96/99/26/508969926.db2.gz CYGXULPMTWPDHA-KRWDZBQOSA-N 1 0 370.522 2.898 20 70 FFIDRO COc1ccc(CCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160329661 508971858 /nfs/dbraw/zinc/97/18/58/508971858.db2.gz RYPDQFRFMOJVSI-NHCUHLMSSA-N 1 0 374.525 2.902 20 70 FFIDRO CC[C@H](OC1CCCC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160335052 508972568 /nfs/dbraw/zinc/97/25/68/508972568.db2.gz UGGWRSRSVIYGMW-FHWLQOOXSA-N 1 0 352.519 2.608 20 70 FFIDRO CSc1ccsc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160363077 508975871 /nfs/dbraw/zinc/97/58/71/508975871.db2.gz KIDPOULUQKXWAZ-ZIAGYGMSSA-N 1 0 354.541 2.968 20 70 FFIDRO Cc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1S(=O)(=O)NC(C)(C)C ZINC000160471774 508991672 /nfs/dbraw/zinc/99/16/72/508991672.db2.gz RQFAPWQJOKTQFG-UHFFFAOYSA-N 1 0 367.515 2.529 20 70 FFIDRO CCCc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cnn1Cc1ccccc1 ZINC000160483164 508993072 /nfs/dbraw/zinc/99/30/72/508993072.db2.gz YGZQNSORCUWIHO-HDICACEKSA-N 1 0 352.482 2.850 20 70 FFIDRO CCN(C(=O)NCc1c(C)nn(C)c1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160479988 508993108 /nfs/dbraw/zinc/99/31/08/508993108.db2.gz MWHMULVCZORWGC-IBGZPJMESA-N 1 0 369.513 2.843 20 70 FFIDRO C[N@H+](CCCN1CCOCC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160499467 508995830 /nfs/dbraw/zinc/99/58/30/508995830.db2.gz OPKIDDZYQXSOAH-JWTNVVGKSA-N 1 0 367.534 2.571 20 70 FFIDRO Cc1cc2ccccc2n1CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160532329 508999352 /nfs/dbraw/zinc/99/93/52/508999352.db2.gz MAZGVRTTYUAZRQ-LEWJYISDSA-N 1 0 369.509 2.834 20 70 FFIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000160533239 508999555 /nfs/dbraw/zinc/99/95/55/508999555.db2.gz XMSOQKMATQELDS-NEPJUHHUSA-N 1 0 373.419 2.915 20 70 FFIDRO O=C(CCc1c[nH]c2ccccc12)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160593067 509007776 /nfs/dbraw/zinc/00/77/76/509007776.db2.gz HDHIGSFTGLZXEO-NHCUHLMSSA-N 1 0 369.509 2.985 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000160594963 509007944 /nfs/dbraw/zinc/00/79/44/509007944.db2.gz NGBLPQZYVKTIOF-CTNGQTDRSA-N 1 0 368.477 2.770 20 70 FFIDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160604044 509009038 /nfs/dbraw/zinc/00/90/38/509009038.db2.gz VDPWTFFBQWTYDZ-RBUKOAKNSA-N 1 0 363.477 2.857 20 70 FFIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000160614168 509010129 /nfs/dbraw/zinc/01/01/29/509010129.db2.gz PTUMNFLNNHMKGH-CYBMUJFWSA-N 1 0 359.396 2.831 20 70 FFIDRO O=C(CSCc1cccc(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160625550 509011455 /nfs/dbraw/zinc/01/14/55/509011455.db2.gz QBAQMCOSWAHIBC-MRXNPFEDSA-N 1 0 356.919 2.536 20 70 FFIDRO O=C(Cc1ccc2c(c1)CCCC2)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160651043 509014843 /nfs/dbraw/zinc/01/48/43/509014843.db2.gz UQPCRXWKLHIXNA-FCHUYYIVSA-N 1 0 370.537 2.992 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000160692186 509020973 /nfs/dbraw/zinc/02/09/73/509020973.db2.gz SSQKDNQKOKZSEA-KRWDZBQOSA-N 1 0 374.529 2.999 20 70 FFIDRO Cc1cnccc1CCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000160723385 509025432 /nfs/dbraw/zinc/02/54/32/509025432.db2.gz FKTNREQEPZQTRZ-HXUWFJFHSA-N 1 0 366.509 2.796 20 70 FFIDRO O=C([C@H]1C[C@H]1c1cccc(F)c1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160733981 509026143 /nfs/dbraw/zinc/02/61/43/509026143.db2.gz FEUNYJCLWBNHKF-IRXDYDNUSA-N 1 0 364.436 2.639 20 70 FFIDRO CCC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)c1 ZINC000160749321 509028461 /nfs/dbraw/zinc/02/84/61/509028461.db2.gz GECNQLRCUBACGJ-SJLPKXTDSA-N 1 0 371.481 2.551 20 70 FFIDRO Cn1cc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)c(C(F)(F)F)n1 ZINC000160887076 509043396 /nfs/dbraw/zinc/04/33/96/509043396.db2.gz YAPDQXBDIAIZOV-UHFFFAOYSA-N 1 0 373.423 2.599 20 70 FFIDRO CCC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000160886876 509043571 /nfs/dbraw/zinc/04/35/71/509043571.db2.gz IETJHGGQUAVOJP-YPMHNXCESA-N 1 0 363.239 2.809 20 70 FFIDRO O[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)COc1ccc2c(c1)OCO2 ZINC000160920379 509048228 /nfs/dbraw/zinc/04/82/28/509048228.db2.gz QAMKQFVEXJBEHX-LBPRGKRZSA-N 1 0 353.777 2.737 20 70 FFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2cnn(C)c2)CC1 ZINC000160964701 509054029 /nfs/dbraw/zinc/05/40/29/509054029.db2.gz NPGKEDDTEULZBG-LJQANCHMSA-N 1 0 361.534 2.820 20 70 FFIDRO C[NH+](C)CCNC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000160974080 509055866 /nfs/dbraw/zinc/05/58/66/509055866.db2.gz AQZINAMKKRNQCH-UHFFFAOYSA-N 1 0 358.225 2.852 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)c2ccn(-c3cc(C)ccc3OC)n2)CC1 ZINC000161024735 509061271 /nfs/dbraw/zinc/06/12/71/509061271.db2.gz IHWQCIYZVYENGK-UHFFFAOYSA-N 1 0 356.470 2.651 20 70 FFIDRO Cc1ccc(C[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)C(C)C)cc1 ZINC000161032003 509062107 /nfs/dbraw/zinc/06/21/07/509062107.db2.gz BLSHXZSCWCIUKV-FQEVSTJZSA-N 1 0 367.493 2.567 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000161066641 509066403 /nfs/dbraw/zinc/06/64/03/509066403.db2.gz SUVXFWCDTJIIET-HDICACEKSA-N 1 0 373.541 2.758 20 70 FFIDRO Cc1nc(CC(C)C)c(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)s1 ZINC000161079564 509068757 /nfs/dbraw/zinc/06/87/57/509068757.db2.gz YUEOVZVSXDJWKV-UHFFFAOYSA-N 1 0 368.547 2.824 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)cc2)n1 ZINC000161119024 509074046 /nfs/dbraw/zinc/07/40/46/509074046.db2.gz RVACTKRIIHFZND-UHFFFAOYSA-N 1 0 356.474 2.868 20 70 FFIDRO CC[C@@H](C)CS(=O)(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000161121014 509074169 /nfs/dbraw/zinc/07/41/69/509074169.db2.gz UELHRNIVZPMTDP-MRXNPFEDSA-N 1 0 354.516 2.973 20 70 FFIDRO COc1ccc(Br)cc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000161131316 509075597 /nfs/dbraw/zinc/07/55/97/509075597.db2.gz HJFZUFIRISEJFZ-UHFFFAOYSA-N 1 0 353.260 2.626 20 70 FFIDRO CCOC[C@H]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000161165143 509080126 /nfs/dbraw/zinc/08/01/26/509080126.db2.gz KFFNPIBJSWRRIQ-IRXDYDNUSA-N 1 0 360.502 2.675 20 70 FFIDRO CCc1ccc(-n2nc(C(=O)N3CCC[C@H]3C[NH2+]C)c3c2CCC3)cc1 ZINC000161172651 509080734 /nfs/dbraw/zinc/08/07/34/509080734.db2.gz ZGJCPAFWSNYOLG-KRWDZBQOSA-N 1 0 352.482 2.747 20 70 FFIDRO CC(C)c1noc(CCCNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000161171232 509080885 /nfs/dbraw/zinc/08/08/85/509080885.db2.gz DFWDTPCHPDNLGH-OAHLLOKOSA-N 1 0 351.495 2.689 20 70 FFIDRO COc1ccc([C@@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c(F)c1 ZINC000161209639 509086555 /nfs/dbraw/zinc/08/65/55/509086555.db2.gz TUCLOLRHUKXGIH-OAHLLOKOSA-N 1 0 373.472 2.977 20 70 FFIDRO CC(C)[NH2+]CCC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000161264662 509093868 /nfs/dbraw/zinc/09/38/68/509093868.db2.gz KQYCFCNDFXGNLK-FQEVSTJZSA-N 1 0 374.506 2.684 20 70 FFIDRO CN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000161263628 509094349 /nfs/dbraw/zinc/09/43/49/509094349.db2.gz LCFKZJDAOJAODE-QUCCMNQESA-N 1 0 365.477 2.519 20 70 FFIDRO CC(C)(C)[C@H](CCO)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000161274390 509094748 /nfs/dbraw/zinc/09/47/48/509094748.db2.gz NOALLIMVKRKBJC-HOCLYGCPSA-N 1 0 353.532 2.981 20 70 FFIDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cnn1C1CCOCC1 ZINC000161277665 509095896 /nfs/dbraw/zinc/09/58/96/509095896.db2.gz YJDCOLJHGCGMPZ-GOSISDBHSA-N 1 0 360.502 2.634 20 70 FFIDRO CCc1nn(C)c(Cl)c1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000161288854 509097138 /nfs/dbraw/zinc/09/71/38/509097138.db2.gz LYJPRRHAICVEPP-CQSZACIVSA-N 1 0 352.841 2.808 20 70 FFIDRO CC(=O)NC1CCC([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000161321066 509101152 /nfs/dbraw/zinc/10/11/52/509101152.db2.gz LBZCMFNSBDTAGV-UHFFFAOYSA-N 1 0 365.468 2.966 20 70 FFIDRO CC(C)(C)C(=O)NCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000161340112 509104197 /nfs/dbraw/zinc/10/41/97/509104197.db2.gz CZZIUVSVOBLVMF-INIZCTEOSA-N 1 0 357.498 2.563 20 70 FFIDRO CCC(=O)N1CC[C@@H](C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000161363613 509106679 /nfs/dbraw/zinc/10/66/79/509106679.db2.gz XPSSNIYSMDROGP-HXUWFJFHSA-N 1 0 371.525 2.793 20 70 FFIDRO CC(=O)NC1CCC([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000161373517 509108436 /nfs/dbraw/zinc/10/84/36/509108436.db2.gz CRPUSYRDDRSFHP-UHFFFAOYSA-N 1 0 357.498 2.850 20 70 FFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2c1 ZINC000161405181 509112175 /nfs/dbraw/zinc/11/21/75/509112175.db2.gz HULIOIMRISBODC-ZFWWWQNUSA-N 1 0 357.454 2.552 20 70 FFIDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000161427257 509114725 /nfs/dbraw/zinc/11/47/25/509114725.db2.gz OETWQCBSAURGKV-GFCCVEGCSA-N 1 0 354.882 2.894 20 70 FFIDRO Brc1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc2c1OCO2 ZINC000217666227 509272220 /nfs/dbraw/zinc/27/22/20/509272220.db2.gz BRKXCAXAZUOYIM-KGLIPLIRSA-N 1 0 353.260 2.894 20 70 FFIDRO COc1cc(/C=C/C(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1OCC(C)C ZINC000159368472 508831448 /nfs/dbraw/zinc/83/14/48/508831448.db2.gz DBNNMCXYZUYUEG-XYASWCNUSA-N 1 0 358.482 2.955 20 70 FFIDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCCc1cscn1 ZINC000159382185 508834530 /nfs/dbraw/zinc/83/45/30/508834530.db2.gz BOZXIEISVIYIIV-UHFFFAOYSA-N 1 0 368.453 2.737 20 70 FFIDRO C[N@H+](CCNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)C1CCCC1 ZINC000159422118 508839873 /nfs/dbraw/zinc/83/98/73/508839873.db2.gz HGYMHBLTPCMAKJ-NSHDSACASA-N 1 0 358.408 2.524 20 70 FFIDRO CCc1cccc(CC)c1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000159480117 508847709 /nfs/dbraw/zinc/84/77/09/508847709.db2.gz DDXXUGXVCBAPPO-INIZCTEOSA-N 1 0 359.514 2.844 20 70 FFIDRO C[NH+]1CCC(NC(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000159568163 508859571 /nfs/dbraw/zinc/85/95/71/508859571.db2.gz HRIAPARGOXAKQY-HNNXBMFYSA-N 1 0 351.878 2.987 20 70 FFIDRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(Cl)c(F)c2)ccn1 ZINC000159566418 508859889 /nfs/dbraw/zinc/85/98/89/508859889.db2.gz AUUGXEPMRNANIT-UHFFFAOYSA-N 1 0 351.809 2.745 20 70 FFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000159576745 508861652 /nfs/dbraw/zinc/86/16/52/508861652.db2.gz SAMZAXCGOWTYFN-WDEREUQCSA-N 1 0 354.376 2.678 20 70 FFIDRO C[C@H]1CC(=O)CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000159629016 508867746 /nfs/dbraw/zinc/86/77/46/508867746.db2.gz LVYYWXRUVBKBPR-SUMWQHHRSA-N 1 0 352.425 2.860 20 70 FFIDRO COc1ccccc1[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccco1 ZINC000159735870 508882299 /nfs/dbraw/zinc/88/22/99/508882299.db2.gz IIPSEVZPXAFMPY-AUUYWEPGSA-N 1 0 360.479 2.931 20 70 FFIDRO COc1ccc(OCc2ccccn2)c(C[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000159742649 508883598 /nfs/dbraw/zinc/88/35/98/508883598.db2.gz LKHSLGHNPZJHCR-UHFFFAOYSA-N 1 0 369.465 2.757 20 70 FFIDRO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(-n3cncn3)cc1)CC2 ZINC000159781477 508889998 /nfs/dbraw/zinc/88/99/98/508889998.db2.gz ODYPQIUZMLOXBM-UHFFFAOYSA-N 1 0 350.422 2.843 20 70 FFIDRO CC[N@H+](CCNC(=O)Cc1cc(OC)ccc1Br)C1CC1 ZINC000159785217 508890550 /nfs/dbraw/zinc/89/05/50/508890550.db2.gz BDEBGIYZZYRLMA-UHFFFAOYSA-N 1 0 355.276 2.601 20 70 FFIDRO C[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159825813 508896672 /nfs/dbraw/zinc/89/66/72/508896672.db2.gz HDRLYTITVKDYAS-ZFWWWQNUSA-N 1 0 359.297 2.745 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000159835758 508898498 /nfs/dbraw/zinc/89/84/98/508898498.db2.gz UGRJNAXJDRGKPF-HOTGVXAUSA-N 1 0 351.516 2.566 20 70 FFIDRO CCCCn1ncc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1C ZINC000159870373 508903467 /nfs/dbraw/zinc/90/34/67/508903467.db2.gz YIXGHMHJWJELAR-QGZVFWFLSA-N 1 0 363.506 2.568 20 70 FFIDRO C[C@H]1C[C@@H](NC(=O)c2ncn(-c3ccccc3)n2)C[N@@H+]1Cc1ccccc1 ZINC000159869752 508903592 /nfs/dbraw/zinc/90/35/92/508903592.db2.gz QMSZUEKUKPGJCQ-FUHWJXTLSA-N 1 0 361.449 2.660 20 70 FFIDRO Cc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000159873521 508904416 /nfs/dbraw/zinc/90/44/16/508904416.db2.gz GCJBGHIOSPMHNV-UHFFFAOYSA-N 1 0 366.465 2.631 20 70 FFIDRO C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)C[NH+]1CCCCC1 ZINC000159930719 508913422 /nfs/dbraw/zinc/91/34/22/508913422.db2.gz CFADTNUFBGNVQI-HNNXBMFYSA-N 1 0 360.502 2.693 20 70 FFIDRO CC[NH+](CC)[C@H](C)CNC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000160069390 508933192 /nfs/dbraw/zinc/93/31/92/508933192.db2.gz MAPFJFJQEYBAPU-CQSZACIVSA-N 1 0 352.500 2.787 20 70 FFIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCOc1ccc(F)cc1F ZINC000160081409 508935989 /nfs/dbraw/zinc/93/59/89/508935989.db2.gz KJURHRGJEAMOJB-SNVBAGLBSA-N 1 0 360.202 2.981 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCOc2ccc(F)cc2F)c1 ZINC000160083656 508936026 /nfs/dbraw/zinc/93/60/26/508936026.db2.gz LUKNJTMXSSGKOW-GFCCVEGCSA-N 1 0 370.421 2.603 20 70 FFIDRO CC(C)[C@@H](SCc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160092925 508937255 /nfs/dbraw/zinc/93/72/55/508937255.db2.gz SVTDMEPFKCOIMB-RBUKOAKNSA-N 1 0 364.555 2.907 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1csc(-c2ccc(F)cc2)n1 ZINC000160127890 508942967 /nfs/dbraw/zinc/94/29/67/508942967.db2.gz SRSRBPPQZUDCCD-HNNXBMFYSA-N 1 0 363.458 2.526 20 70 FFIDRO O=C(CCc1ccc(-c2ccccc2F)o1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160128291 508943138 /nfs/dbraw/zinc/94/31/38/508943138.db2.gz DACJNACGRHHXST-MRXNPFEDSA-N 1 0 374.456 2.981 20 70 FFIDRO CCOc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000160138370 508944412 /nfs/dbraw/zinc/94/44/12/508944412.db2.gz BLNLTPPPVWIJRA-MRXNPFEDSA-N 1 0 352.500 2.724 20 70 FFIDRO CN(CC[NH2+]C1CCN(Cc2cccnc2)CC1)Cc1ccc(F)cc1 ZINC000160146704 508945403 /nfs/dbraw/zinc/94/54/03/508945403.db2.gz MCTASCVCZYCTHX-UHFFFAOYSA-N 1 0 356.489 2.907 20 70 FFIDRO C[NH+](C)Cc1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)cc1 ZINC000160151418 508945836 /nfs/dbraw/zinc/94/58/36/508945836.db2.gz JKTRGNCXCUROER-UHFFFAOYSA-N 1 0 365.477 2.801 20 70 FFIDRO COc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(C)c1C ZINC000160157835 508947834 /nfs/dbraw/zinc/94/78/34/508947834.db2.gz JBZAPJXWTDSVGU-KRWDZBQOSA-N 1 0 366.527 2.951 20 70 FFIDRO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160169648 508949167 /nfs/dbraw/zinc/94/91/67/508949167.db2.gz JRILXVIOWWZAJT-AEFFLSMTSA-N 1 0 362.514 2.714 20 70 FFIDRO C[C@@H](CSc1ccc(F)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160183636 508950761 /nfs/dbraw/zinc/95/07/61/508950761.db2.gz SHMAHDVHWBZLJK-GOEBONIOSA-N 1 0 354.491 2.517 20 70 FFIDRO COC(=O)[C@H]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000160197889 508952818 /nfs/dbraw/zinc/95/28/18/508952818.db2.gz NQCMTSJWDGNLBA-AEFFLSMTSA-N 1 0 373.497 2.807 20 70 FFIDRO C[C@H]1C[C@H](NC(=O)N[C@@H](CO)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160213534 508955404 /nfs/dbraw/zinc/95/54/04/508955404.db2.gz ALAXFGDOXJPGDL-VDGAXYAQSA-N 1 0 353.466 2.682 20 70 FFIDRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160237817 508958485 /nfs/dbraw/zinc/95/84/85/508958485.db2.gz MHFQPNJYNSKKSL-ONGXEEELSA-N 1 0 361.667 2.820 20 70 FFIDRO COc1ccc2sc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)c(C)c2c1 ZINC000160263776 508962725 /nfs/dbraw/zinc/96/27/25/508962725.db2.gz BHQZUXFIOWXTIV-AWEZNQCLSA-N 1 0 362.495 2.795 20 70 FFIDRO COc1ccc(C2(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)CCCCC2)cc1 ZINC000160297522 508966270 /nfs/dbraw/zinc/96/62/70/508966270.db2.gz ABYDGMKDMRUTCN-LJQANCHMSA-N 1 0 374.525 2.860 20 70 FFIDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccn(CC(F)(F)F)n2)c1 ZINC000160301625 508967228 /nfs/dbraw/zinc/96/72/28/508967228.db2.gz YYASEZVRQDWRGV-UHFFFAOYSA-N 1 0 355.364 2.829 20 70 FFIDRO O=C(CC[NH+]1CCN(c2cccs2)CC1)NC(=O)Nc1ccccc1 ZINC000160313489 508969401 /nfs/dbraw/zinc/96/94/01/508969401.db2.gz LWQWNTCNTDIEFY-UHFFFAOYSA-N 1 0 358.467 2.609 20 70 FFIDRO COCCN(CC(F)F)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160321798 508970215 /nfs/dbraw/zinc/97/02/15/508970215.db2.gz JOKZZPQLXBVBHY-HOCLYGCPSA-N 1 0 355.429 2.573 20 70 FFIDRO CCCc1ncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000160324114 508970874 /nfs/dbraw/zinc/97/08/74/508970874.db2.gz UNZUOLIUFULRMK-CABCVRRESA-N 1 0 351.516 2.593 20 70 FFIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000160370291 508977867 /nfs/dbraw/zinc/97/78/67/508977867.db2.gz BQBIAMHJEPDIMZ-DLBZAZTESA-N 1 0 370.522 2.623 20 70 FFIDRO CNC(=O)c1cccc(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000160393366 508980007 /nfs/dbraw/zinc/98/00/07/508980007.db2.gz IISHSGXDRHEDSW-KXBFYZLASA-N 1 0 366.465 2.831 20 70 FFIDRO Cc1nc2n(n1)C[C@H]([NH2+]C1CCN(Cc3ccccc3Cl)CC1)CC2 ZINC000160393042 508980110 /nfs/dbraw/zinc/98/01/10/508980110.db2.gz ODQJXSWKNRBPIR-QGZVFWFLSA-N 1 0 359.905 2.809 20 70 FFIDRO O=C(CSc1ccc(F)cc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160399616 508981813 /nfs/dbraw/zinc/98/18/13/508981813.db2.gz JNKRGGLYSFGDII-MSOLQXFVSA-N 1 0 366.502 2.802 20 70 FFIDRO Cc1ccc(OCCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000160404436 508982113 /nfs/dbraw/zinc/98/21/13/508982113.db2.gz PBGUMERIGLUFJT-INIZCTEOSA-N 1 0 368.905 2.770 20 70 FFIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000160427681 508985027 /nfs/dbraw/zinc/98/50/27/508985027.db2.gz NPBKWCFAXXGGCU-YESZJQIVSA-N 1 0 370.415 2.772 20 70 FFIDRO CC(C)Oc1cccc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160440309 508987801 /nfs/dbraw/zinc/98/78/01/508987801.db2.gz NQVJFJUBFDSDAO-NHCUHLMSSA-N 1 0 374.525 2.900 20 70 FFIDRO Cc1c(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cccc1S(=O)(=O)NC(C)(C)C ZINC000160469926 508991702 /nfs/dbraw/zinc/99/17/02/508991702.db2.gz YOHCMVAWJZNQAA-ZIAGYGMSSA-N 1 0 367.515 2.528 20 70 FFIDRO O=C(CCc1cccc(F)c1F)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160496581 508994820 /nfs/dbraw/zinc/99/48/20/508994820.db2.gz HNJBBAHOUHDOMD-ZWKOTPCHSA-N 1 0 366.452 2.782 20 70 FFIDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160497483 508994847 /nfs/dbraw/zinc/99/48/47/508994847.db2.gz XVLZHTCENXHQJH-OALUTQOASA-N 1 0 363.477 2.857 20 70 FFIDRO COC(=O)c1cc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)oc1C ZINC000160497037 508994960 /nfs/dbraw/zinc/99/49/60/508994960.db2.gz LAHOGGFMEHJZRN-UHFFFAOYSA-N 1 0 365.474 2.638 20 70 FFIDRO O=C(Cc1c[nH]c2cc(F)ccc12)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160514289 508997337 /nfs/dbraw/zinc/99/73/37/508997337.db2.gz JOSGJMRBJRYZFT-WOJBJXKFSA-N 1 0 373.472 2.734 20 70 FFIDRO Cc1ccc(CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C2CC2)cc1C ZINC000160549386 509001480 /nfs/dbraw/zinc/00/14/80/509001480.db2.gz JJKXTFDFNTZZPY-UHFFFAOYSA-N 1 0 353.470 2.624 20 70 FFIDRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160553812 509002345 /nfs/dbraw/zinc/00/23/45/509002345.db2.gz BXVWBSQWBMLFAW-INIZCTEOSA-N 1 0 362.514 2.572 20 70 FFIDRO C[NH+]1CCC(C(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000160588709 509006389 /nfs/dbraw/zinc/00/63/89/509006389.db2.gz NDEREAGTAUFURM-NRFANRHFSA-N 1 0 368.477 2.757 20 70 FFIDRO CCCNC(=O)Nc1ccc(CC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000160608861 509009721 /nfs/dbraw/zinc/00/97/21/509009721.db2.gz PSKVJQBFEHAAGK-MRXNPFEDSA-N 1 0 360.502 2.609 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000160616007 509010912 /nfs/dbraw/zinc/01/09/12/509010912.db2.gz CRGLNTMKHBIPAQ-QGZVFWFLSA-N 1 0 372.852 2.770 20 70 FFIDRO COc1ccccc1-n1c2ccccc2nc1NC(=O)C[NH2+]CC1CC1 ZINC000160633894 509012499 /nfs/dbraw/zinc/01/24/99/509012499.db2.gz HASFSYHKSVPDIP-UHFFFAOYSA-N 1 0 350.422 2.972 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1occc1Br ZINC000160656706 509015180 /nfs/dbraw/zinc/01/51/80/509015180.db2.gz BJFMOHHVEFOFMP-UONOGXRCSA-N 1 0 371.275 2.540 20 70 FFIDRO COc1ccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)c(OC)c1 ZINC000160685988 509020448 /nfs/dbraw/zinc/02/04/48/509020448.db2.gz MYYDIKGQDBOUPY-UHFFFAOYSA-N 1 0 363.502 2.967 20 70 FFIDRO CN(CCCOc1ccc(S(C)(=O)=O)cc1)CCC[NH+]1CCCCC1 ZINC000160700198 509021772 /nfs/dbraw/zinc/02/17/72/509021772.db2.gz FQWURLLSIUBEOJ-UHFFFAOYSA-N 1 0 368.543 2.667 20 70 FFIDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000160706341 509022947 /nfs/dbraw/zinc/02/29/47/509022947.db2.gz JHBUJLVALWDYGV-QZTJIDSGSA-N 1 0 373.403 2.773 20 70 FFIDRO COCC[NH2+]CC(=O)N[C@H](c1ccccc1Cl)c1ccccc1OC ZINC000160811962 509035630 /nfs/dbraw/zinc/03/56/30/509035630.db2.gz FMALLZSIQDODCW-LJQANCHMSA-N 1 0 362.857 2.790 20 70 FFIDRO CCN(C(=O)N[C@@H](C)Cc1cc(C)n[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160816060 509036370 /nfs/dbraw/zinc/03/63/70/509036370.db2.gz PAVNCUCFMXCTRJ-JXFKEZNVSA-N 1 0 369.513 2.955 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000160888082 509044058 /nfs/dbraw/zinc/04/40/58/509044058.db2.gz VCVCPYQGVNLZNX-CQSZACIVSA-N 1 0 372.469 2.511 20 70 FFIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000160895310 509044961 /nfs/dbraw/zinc/04/49/61/509044961.db2.gz NCLIAVAPDKHSQA-DNVCBOLYSA-N 1 0 362.495 2.759 20 70 FFIDRO COC(=O)c1csc(NC(=O)NCCN2CCc3sccc3C2)c1 ZINC000160922193 509048201 /nfs/dbraw/zinc/04/82/01/509048201.db2.gz FFYFFLVXUKGNNR-UHFFFAOYSA-N 1 0 365.480 2.776 20 70 FFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)CCNC(=O)C2CCCCC2)c1 ZINC000160923955 509048669 /nfs/dbraw/zinc/04/86/69/509048669.db2.gz ZNOZCXZGWAZTAQ-UHFFFAOYSA-N 1 0 359.514 2.841 20 70 FFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000160989799 509057184 /nfs/dbraw/zinc/05/71/84/509057184.db2.gz RKOVPLKBSRUIRJ-GOSISDBHSA-N 1 0 374.533 2.573 20 70 FFIDRO O=C(CNC(=O)CC1CCCC1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000161000942 509058529 /nfs/dbraw/zinc/05/85/29/509058529.db2.gz KPWZBMUFBCEPMZ-UHFFFAOYSA-N 1 0 357.498 2.960 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)Cn2c(CSC)nc3ccccc32)CC1 ZINC000161021971 509060741 /nfs/dbraw/zinc/06/07/41/509060741.db2.gz IDICCAJJQBEAIA-UHFFFAOYSA-N 1 0 360.527 2.747 20 70 FFIDRO CC(C)(C)OC1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000161024562 509061739 /nfs/dbraw/zinc/06/17/39/509061739.db2.gz PZORFTYCBAEBSY-FQEVSTJZSA-N 1 0 374.525 2.991 20 70 FFIDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)[C@H]2C1 ZINC000161027940 509061798 /nfs/dbraw/zinc/06/17/98/509061798.db2.gz ZERHQUCJCQEXPN-SQNIBIBYSA-N 1 0 352.519 2.539 20 70 FFIDRO COC1(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CC[NH2+]CC1 ZINC000161075740 509068113 /nfs/dbraw/zinc/06/81/13/509068113.db2.gz GIGSQDMOYOSTMB-HXUWFJFHSA-N 1 0 352.478 2.898 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000161108106 509072556 /nfs/dbraw/zinc/07/25/56/509072556.db2.gz IHOKRGYTTWNVRH-OAQYLSRUSA-N 1 0 357.498 2.529 20 70 FFIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161129829 509074947 /nfs/dbraw/zinc/07/49/47/509074947.db2.gz KEXDNJSEWXFKGS-LBPRGKRZSA-N 1 0 365.426 2.851 20 70 FFIDRO CC[N@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccn1 ZINC000161146777 509077757 /nfs/dbraw/zinc/07/77/57/509077757.db2.gz REOYYZWUQIVRQA-UHFFFAOYSA-N 1 0 366.465 2.825 20 70 FFIDRO CCOC[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000161165262 509080050 /nfs/dbraw/zinc/08/00/50/509080050.db2.gz KFFNPIBJSWRRIQ-IAGOWNOFSA-N 1 0 360.502 2.675 20 70 FFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2(O)CCCCCC2)CC1 ZINC000161174934 509081225 /nfs/dbraw/zinc/08/12/25/509081225.db2.gz QIQCHYNAUBXKMB-QGZVFWFLSA-N 1 0 374.529 2.992 20 70 FFIDRO COCC[NH+]1CCC(NC(=O)c2ccc(Br)c(C)c2)CC1 ZINC000161182421 509081922 /nfs/dbraw/zinc/08/19/22/509081922.db2.gz MLAVZSKEGBYWBH-UHFFFAOYSA-N 1 0 355.276 2.598 20 70 FFIDRO CC(C)(C)[C@@H](CCO)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000161207292 509085440 /nfs/dbraw/zinc/08/54/40/509085440.db2.gz AVRMDYQFDZTIPZ-DOTOQJQBSA-N 1 0 351.491 2.903 20 70 FFIDRO Cn1cnc(-c2ccc(NC(=O)NC3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000161214318 509086177 /nfs/dbraw/zinc/08/61/77/509086177.db2.gz IRJMSCXTLNZJPP-UHFFFAOYSA-N 1 0 356.474 2.724 20 70 FFIDRO COc1ccc([C@@H](C[NH2+]C2CCC3(CC2)OCCO3)N(C)C)cc1OC ZINC000161224356 509087847 /nfs/dbraw/zinc/08/78/47/509087847.db2.gz DRYWACYNXSYMQG-QGZVFWFLSA-N 1 0 364.486 2.582 20 70 FFIDRO Cc1c(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cnn1C1CCOCC1 ZINC000161277772 509095485 /nfs/dbraw/zinc/09/54/85/509095485.db2.gz YJDCOLJHGCGMPZ-SFHVURJKSA-N 1 0 360.502 2.634 20 70 FFIDRO Cc1ccc([C@@H](C[NH2+]C2CCC3(CC2)OCCO3)N2CCOCC2)cc1 ZINC000161322701 509102110 /nfs/dbraw/zinc/10/21/10/509102110.db2.gz RHZWRRPEQAORGT-HXUWFJFHSA-N 1 0 360.498 2.644 20 70 FFIDRO COCCN(CC(C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161336450 509103747 /nfs/dbraw/zinc/10/37/47/509103747.db2.gz GUWDHUSCLLCXRA-KRWDZBQOSA-N 1 0 362.518 2.921 20 70 FFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](CO)CC(C)(C)C)CC1 ZINC000161340035 509104381 /nfs/dbraw/zinc/10/43/81/509104381.db2.gz AKWLEIQOGASXFK-MAUKXSAKSA-N 1 0 362.518 2.703 20 70 FFIDRO O=C(Nc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1)[C@@H]1CCCO1 ZINC000161361140 509106964 /nfs/dbraw/zinc/10/69/64/509106964.db2.gz VBGSRYQZCQDMNM-SFHVURJKSA-N 1 0 360.454 2.579 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCc3ccc(OC)cc32)c1 ZINC000161426450 509115024 /nfs/dbraw/zinc/11/50/24/509115024.db2.gz YKDYLZIQHKPOBF-DJJJIMSYSA-N 1 0 360.479 2.941 20 70 FFIDRO CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1c(C)nn(C)c1C ZINC000161503069 509122804 /nfs/dbraw/zinc/12/28/04/509122804.db2.gz AQQJAAIRXUZWLG-PXAZEXFGSA-N 1 0 364.515 2.747 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)CN1CCc2ccc(F)cc2C1)c1ccccc1 ZINC000159367724 508831584 /nfs/dbraw/zinc/83/15/84/508831584.db2.gz LYORAMDNEMOUBX-HXUWFJFHSA-N 1 0 355.457 2.603 20 70 FFIDRO CC(C)c1ccc(N2CC[C@@H](C(=O)NC3CC[NH+](C4CC4)CC3)C2=O)cc1 ZINC000159374261 508832490 /nfs/dbraw/zinc/83/24/90/508832490.db2.gz RCNGYCQYXGXIBV-FQEVSTJZSA-N 1 0 369.509 2.906 20 70 FFIDRO COc1ccc2cccc(CC(=O)NC[C@H](O)C[NH+]3CCC(C)CC3)c2c1 ZINC000159378998 508833401 /nfs/dbraw/zinc/83/34/01/508833401.db2.gz HWSWKXFOPRYSDR-IBGZPJMESA-N 1 0 370.493 2.600 20 70 FFIDRO C[C@H](Cc1ccccc1F)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000159383471 508834022 /nfs/dbraw/zinc/83/40/22/508834022.db2.gz YFAIAEALOAAOIZ-MJGOQNOKSA-N 1 0 361.505 2.633 20 70 FFIDRO C[C@@H](Cc1ccccc1F)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000159383585 508834377 /nfs/dbraw/zinc/83/43/77/508834377.db2.gz YFAIAEALOAAOIZ-PKOBYXMFSA-N 1 0 361.505 2.633 20 70 FFIDRO CN(C(=O)c1ccco1)c1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159439697 508842119 /nfs/dbraw/zinc/84/21/19/508842119.db2.gz CKIDFMFXVBHVBF-GASCZTMLSA-N 1 0 353.422 2.523 20 70 FFIDRO CCCOc1cccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000159437870 508842278 /nfs/dbraw/zinc/84/22/78/508842278.db2.gz DHGGCNMPRVPYLH-KRWDZBQOSA-N 1 0 354.516 2.769 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3OCC3CC3)cn2)CC1 ZINC000159439502 508842428 /nfs/dbraw/zinc/84/24/28/508842428.db2.gz ZMYNKEPWLMXZFH-UHFFFAOYSA-N 1 0 366.465 2.875 20 70 FFIDRO O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159450449 508843606 /nfs/dbraw/zinc/84/36/06/508843606.db2.gz BSJDOOJKLLVXIH-QWHCGFSZSA-N 1 0 370.419 2.620 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000159498631 508850247 /nfs/dbraw/zinc/85/02/47/508850247.db2.gz HBKPEDMJKKYJRK-INIZCTEOSA-N 1 0 356.474 2.757 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)cn2)CC1 ZINC000159536487 508854708 /nfs/dbraw/zinc/85/47/08/508854708.db2.gz QPWXYGGUNDTLNS-DOTOQJQBSA-N 1 0 372.419 2.854 20 70 FFIDRO C[N@@H+]1CC[C@H](CNC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000159545925 508856328 /nfs/dbraw/zinc/85/63/28/508856328.db2.gz XLTOFCBQYHVQSH-WBVHZDCISA-N 1 0 361.486 2.710 20 70 FFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000159644876 508870633 /nfs/dbraw/zinc/87/06/33/508870633.db2.gz VIDOEVOIRBLADU-DGCLKSJQSA-N 1 0 365.271 2.811 20 70 FFIDRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159687135 508875917 /nfs/dbraw/zinc/87/59/17/508875917.db2.gz JVHWLDPEGRCAAX-KRWDZBQOSA-N 1 0 365.543 2.931 20 70 FFIDRO CN(C(=O)c1cccc2[nH]c(=O)oc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159728547 508881723 /nfs/dbraw/zinc/88/17/23/508881723.db2.gz YKPNXLQAEXLBEO-INIZCTEOSA-N 1 0 365.433 2.858 20 70 FFIDRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159752519 508885025 /nfs/dbraw/zinc/88/50/25/508885025.db2.gz IKNCDZNMEQVBES-INIZCTEOSA-N 1 0 354.516 2.622 20 70 FFIDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NCC1([NH3+])CCCCC1)CC2 ZINC000159770175 508888657 /nfs/dbraw/zinc/88/86/57/508888657.db2.gz NRHGOBGBCNBEPE-LBPRGKRZSA-N 1 0 370.419 2.687 20 70 FFIDRO C[C@@H](CNC(=O)N1CCC(C2CCOCC2)CC1)[NH+]1CCC(C)CC1 ZINC000159784881 508890468 /nfs/dbraw/zinc/89/04/68/508890468.db2.gz RYHILNDNGGNLEA-KRWDZBQOSA-N 1 0 351.535 2.955 20 70 FFIDRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159833060 508898835 /nfs/dbraw/zinc/89/88/35/508898835.db2.gz OCMSVUQRHFJSHW-AUUYWEPGSA-N 1 0 355.482 2.885 20 70 FFIDRO COc1ccc(Br)c(CC(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000159917425 508911096 /nfs/dbraw/zinc/91/10/96/508911096.db2.gz WGBPCDQSVDMPMG-NSHDSACASA-N 1 0 355.276 2.599 20 70 FFIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NCCc1ccccc1 ZINC000159929685 508913462 /nfs/dbraw/zinc/91/34/62/508913462.db2.gz SVNUVJJPUNXJDP-IRXDYDNUSA-N 1 0 363.465 2.665 20 70 FFIDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000159959326 508917634 /nfs/dbraw/zinc/91/76/34/508917634.db2.gz FFSCQHRMFDQCQS-UHFFFAOYSA-N 1 0 354.454 2.535 20 70 FFIDRO COc1cc(C2(C(=O)NC[C@H](O)C[NH+]3CCCCC3)CCCC2)ccc1C ZINC000159986160 508920494 /nfs/dbraw/zinc/92/04/94/508920494.db2.gz CLZHKAVJPIXMRJ-IBGZPJMESA-N 1 0 374.525 2.778 20 70 FFIDRO COc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc(OC)c1O ZINC000160006046 508924315 /nfs/dbraw/zinc/92/43/15/508924315.db2.gz RXLDESDLDUIMQT-MRXNPFEDSA-N 1 0 364.486 2.896 20 70 FFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C(N)=O)c1ccccc1 ZINC000160026210 508927763 /nfs/dbraw/zinc/92/77/63/508927763.db2.gz YFSXWUDMDMKKAL-FQEVSTJZSA-N 1 0 352.482 2.847 20 70 FFIDRO O=C(CCN1C(=O)CCc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160087873 508936841 /nfs/dbraw/zinc/93/68/41/508936841.db2.gz LXIVGVVUBNXUMW-UHFFFAOYSA-N 1 0 369.509 2.690 20 70 FFIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000160102140 508938873 /nfs/dbraw/zinc/93/88/73/508938873.db2.gz JBMXTIMOIBPHPN-RDJZCZTQSA-N 1 0 356.474 2.502 20 70 FFIDRO CO[C@H](C)c1noc(CCC(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)n1 ZINC000160130637 508942907 /nfs/dbraw/zinc/94/29/07/508942907.db2.gz RNURUHSVNBDKDI-GDBMZVCRSA-N 1 0 370.453 2.721 20 70 FFIDRO CC(=O)CCc1ccc(OCc2cccc(C(=O)NCCC[NH3+])c2)cc1 ZINC000160127875 508943222 /nfs/dbraw/zinc/94/32/22/508943222.db2.gz BHHAXVRYFXDWSN-UHFFFAOYSA-N 1 0 354.450 2.866 20 70 FFIDRO C[C@@H](CNC(=O)c1cccc(OC2CCCCC2)c1)N1CC[NH+](C)CC1 ZINC000160157614 508946719 /nfs/dbraw/zinc/94/67/19/508946719.db2.gz KGEAGRLGNJAKDK-KRWDZBQOSA-N 1 0 359.514 2.764 20 70 FFIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000160157166 508947000 /nfs/dbraw/zinc/94/70/00/508947000.db2.gz RFRRWPJTEBJLNH-BXUZGUMPSA-N 1 0 354.907 2.994 20 70 FFIDRO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160169779 508949072 /nfs/dbraw/zinc/94/90/72/508949072.db2.gz JRILXVIOWWZAJT-FUHWJXTLSA-N 1 0 362.514 2.714 20 70 FFIDRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000160202740 508953830 /nfs/dbraw/zinc/95/38/30/508953830.db2.gz FGYHUHOXLDSRPO-OAQYLSRUSA-N 1 0 359.514 2.975 20 70 FFIDRO C[C@H]1C[C@@H](NC(=O)N[C@@H](CO)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160213775 508954908 /nfs/dbraw/zinc/95/49/08/508954908.db2.gz ALAXFGDOXJPGDL-DBVUQKKJSA-N 1 0 353.466 2.682 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CO)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160213649 508955379 /nfs/dbraw/zinc/95/53/79/508955379.db2.gz ALAXFGDOXJPGDL-AHRSYUTCSA-N 1 0 353.466 2.682 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCOc2ccccc2Cl)C1 ZINC000160247742 508959777 /nfs/dbraw/zinc/95/97/77/508959777.db2.gz TVKJVVFBUAXIKE-HNNXBMFYSA-N 1 0 353.894 2.996 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(-c2cccs2)n[nH]1 ZINC000160245113 508960028 /nfs/dbraw/zinc/96/00/28/508960028.db2.gz NZRGLJOSRQNXHF-DLBZAZTESA-N 1 0 374.510 2.636 20 70 FFIDRO CC(C)Oc1cccc(CC(=O)N(C)CC(C)(C)CN2CCOCC2)c1 ZINC000160250683 508960224 /nfs/dbraw/zinc/96/02/24/508960224.db2.gz JNAMVDBQMXSIFM-UHFFFAOYSA-N 1 0 362.514 2.833 20 70 FFIDRO Cc1cccc(CCNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000160300098 508966512 /nfs/dbraw/zinc/96/65/12/508966512.db2.gz FCLYAXDLNCYGLI-UHFFFAOYSA-N 1 0 351.494 2.715 20 70 FFIDRO Cc1c(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)nnn1C1CC[NH2+]CC1 ZINC000160340645 508973508 /nfs/dbraw/zinc/97/35/08/508973508.db2.gz XZSSMJUYNIWEMD-INIZCTEOSA-N 1 0 369.469 2.543 20 70 FFIDRO COc1cc(Cl)ccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160345503 508973527 /nfs/dbraw/zinc/97/35/27/508973527.db2.gz GQOHCYYKMGYFNT-IRXDYDNUSA-N 1 0 366.889 2.846 20 70 FFIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000160370162 508977625 /nfs/dbraw/zinc/97/76/25/508977625.db2.gz BQBIAMHJEPDIMZ-IAGOWNOFSA-N 1 0 370.522 2.623 20 70 FFIDRO O=C(CCC(=O)NC1CCCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000160387494 508979542 /nfs/dbraw/zinc/97/95/42/508979542.db2.gz FZUFHKZQKSCVGM-INIZCTEOSA-N 1 0 363.527 2.840 20 70 FFIDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cncs1 ZINC000160425438 508985009 /nfs/dbraw/zinc/98/50/09/508985009.db2.gz IYGVDWHVMLOOPC-ZDUSSCGKSA-N 1 0 351.497 2.778 20 70 FFIDRO C[N@H+](CC(=O)NC(C)(C)C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160458529 508989708 /nfs/dbraw/zinc/98/97/08/508989708.db2.gz WJAZKTKGCJYNGC-YIONKMFJSA-N 1 0 353.507 2.763 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)C1 ZINC000160465950 508990727 /nfs/dbraw/zinc/99/07/27/508990727.db2.gz ZHOAKWDIHZFICQ-ZDUSSCGKSA-N 1 0 358.442 2.968 20 70 FFIDRO Cc1nc(Cc2ccccc2)sc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160468715 508991444 /nfs/dbraw/zinc/99/14/44/508991444.db2.gz QVHHGIBQNDWFLZ-KRWDZBQOSA-N 1 0 373.522 2.619 20 70 FFIDRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160522007 508998100 /nfs/dbraw/zinc/99/81/00/508998100.db2.gz URNXQCNEAOCLNO-SJLPKXTDSA-N 1 0 362.514 2.714 20 70 FFIDRO Cc1cccc(OCCC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000160624221 509011400 /nfs/dbraw/zinc/01/14/00/509011400.db2.gz DACWZFANMQCAIL-WOJBJXKFSA-N 1 0 368.477 2.516 20 70 FFIDRO CCC(CC)[C@@H](CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[NH+](C)C ZINC000160632948 509012254 /nfs/dbraw/zinc/01/22/54/509012254.db2.gz HGVRWIGYRGIZKO-QGZVFWFLSA-N 1 0 358.490 2.970 20 70 FFIDRO CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000160643579 509013830 /nfs/dbraw/zinc/01/38/30/509013830.db2.gz DFDMPMFECGUXCW-UHFFFAOYSA-N 1 0 359.514 2.905 20 70 FFIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc(S(C)(=O)=O)cs2)C1 ZINC000160648577 509013884 /nfs/dbraw/zinc/01/38/84/509013884.db2.gz APMLUSVKOGENTA-OKILXGFUSA-N 1 0 372.556 2.640 20 70 FFIDRO COc1cc(CN(C)C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])c(SC)cc1OC ZINC000160673868 509017589 /nfs/dbraw/zinc/01/75/89/509017589.db2.gz WLEFPGVFGWPQGX-RTRLTSMRSA-N 1 0 364.511 2.758 20 70 FFIDRO CC(C)NC(=O)c1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000160670062 509017674 /nfs/dbraw/zinc/01/76/74/509017674.db2.gz RUVDIQPUHBBEBH-CALCHBBNSA-N 1 0 359.514 2.923 20 70 FFIDRO O=C(Cc1ccccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160698730 509022208 /nfs/dbraw/zinc/02/22/08/509022208.db2.gz FCEOFSGQNDPOCO-QZTJIDSGSA-N 1 0 350.890 2.767 20 70 FFIDRO CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H](c2ccccc2)C1 ZINC000160788690 509033104 /nfs/dbraw/zinc/03/31/04/509033104.db2.gz NZTWKJQHCBYJKN-QUCCMNQESA-N 1 0 356.514 2.702 20 70 FFIDRO CC(C)c1noc(CCC[NH2+][C@@H](C)Cn2cc(Br)cn2)n1 ZINC000160795710 509033872 /nfs/dbraw/zinc/03/38/72/509033872.db2.gz VJXSXSVITSVNHQ-NSHDSACASA-N 1 0 356.268 2.763 20 70 FFIDRO O=C(c1cnc(C(F)(F)F)nc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000160810839 509035522 /nfs/dbraw/zinc/03/55/22/509035522.db2.gz WXQXBUJEZGITLJ-RISCZKNCSA-N 1 0 354.376 2.584 20 70 FFIDRO CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000160967641 509054772 /nfs/dbraw/zinc/05/47/72/509054772.db2.gz LKUNXGREHWKRBL-ROUUACIJSA-N 1 0 366.550 2.587 20 70 FFIDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(F)cc1Cl ZINC000160973540 509056033 /nfs/dbraw/zinc/05/60/33/509056033.db2.gz NCCIISGCUODAET-NSHDSACASA-N 1 0 363.820 2.545 20 70 FFIDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc2c(s1)CCCC2 ZINC000160980766 509056756 /nfs/dbraw/zinc/05/67/56/509056756.db2.gz DIYCKDKQVNCQCT-CYBMUJFWSA-N 1 0 371.506 2.693 20 70 FFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)cc1 ZINC000161003597 509058936 /nfs/dbraw/zinc/05/89/36/509058936.db2.gz AYIMOLULQCKDAZ-AWEZNQCLSA-N 1 0 359.445 2.867 20 70 FFIDRO COc1cc([C@H](C)[NH2+][C@H](CCO)c2ccccc2)ccc1S(C)(=O)=O ZINC000161019917 509060619 /nfs/dbraw/zinc/06/06/19/509060619.db2.gz MPMQOBLSAGJIDU-WMLDXEAASA-N 1 0 363.479 2.873 20 70 FFIDRO CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000161028049 509061357 /nfs/dbraw/zinc/06/13/57/509061357.db2.gz PHHALKUJKIVYJM-PMACEKPBSA-N 1 0 359.514 2.762 20 70 FFIDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCSC1 ZINC000161031655 509062188 /nfs/dbraw/zinc/06/21/88/509062188.db2.gz JFFFLSUOYCGNEB-ZDUSSCGKSA-N 1 0 357.317 2.893 20 70 FFIDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000161066400 509066758 /nfs/dbraw/zinc/06/67/58/509066758.db2.gz SUVMHUVYDFXLPT-VQIMIIECSA-N 1 0 359.514 2.905 20 70 FFIDRO COc1cc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1S(C)(=O)=O ZINC000161069600 509067373 /nfs/dbraw/zinc/06/73/73/509067373.db2.gz OZSZQELTTUPSJD-BMFZPTHFSA-N 1 0 354.516 2.622 20 70 FFIDRO Cc1nc(CC(C)C)c(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)s1 ZINC000161102029 509072271 /nfs/dbraw/zinc/07/22/71/509072271.db2.gz MZOBJMVXQGNKJV-UHFFFAOYSA-N 1 0 366.531 2.578 20 70 FFIDRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCc3n[nH]cc3C2)c1 ZINC000161123863 509074380 /nfs/dbraw/zinc/07/43/80/509074380.db2.gz IFFWXSNAEBSUAN-GOSISDBHSA-N 1 0 355.486 2.608 20 70 FFIDRO CC(=O)N1CC[C@H](CN(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000161216928 509087335 /nfs/dbraw/zinc/08/73/35/509087335.db2.gz GBOVPWNMWZZOHX-SJLPKXTDSA-N 1 0 374.529 2.626 20 70 FFIDRO C[C@H](C(=O)NCc1ccccc1Cl)N1CCN(Cc2ccncc2)CC1 ZINC000161224863 509088314 /nfs/dbraw/zinc/08/83/14/509088314.db2.gz NNEHCLIRSLKABU-MRXNPFEDSA-N 1 0 372.900 2.558 20 70 FFIDRO COc1ccc(NC(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1N ZINC000161285544 509096292 /nfs/dbraw/zinc/09/62/92/509096292.db2.gz FERCJARQAUSYCB-AWEZNQCLSA-N 1 0 372.444 2.566 20 70 FFIDRO O=C(Nc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1)[C@H]1CCCO1 ZINC000161361263 509106599 /nfs/dbraw/zinc/10/65/99/509106599.db2.gz VBGSRYQZCQDMNM-GOSISDBHSA-N 1 0 360.454 2.579 20 70 FFIDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1nc2cc(F)ccc2o1 ZINC000161375763 509108648 /nfs/dbraw/zinc/10/86/48/509108648.db2.gz PPYADQMDSHPTGN-KRWDZBQOSA-N 1 0 370.428 2.668 20 70 FFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)CSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000161394752 509110649 /nfs/dbraw/zinc/11/06/49/509110649.db2.gz CRARMPDHCCTGSD-AWEZNQCLSA-N 1 0 361.515 2.719 20 70 FFIDRO CN(CCc1cccs1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000161395600 509110661 /nfs/dbraw/zinc/11/06/61/509110661.db2.gz HYUFWRGFVAAHIO-IBGZPJMESA-N 1 0 368.506 2.564 20 70 FFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000161394620 509110691 /nfs/dbraw/zinc/11/06/91/509110691.db2.gz CRARMPDHCCTGSD-CQSZACIVSA-N 1 0 361.515 2.719 20 70 FFIDRO O=C(Cc1cccc(F)c1)N1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000161413243 509113091 /nfs/dbraw/zinc/11/30/91/509113091.db2.gz XXXPDIUWJBRWDW-UHFFFAOYSA-N 1 0 361.505 2.779 20 70 FFIDRO COc1ccccc1Nc1ncccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159411936 508838165 /nfs/dbraw/zinc/83/81/65/508838165.db2.gz WJEAMFAWXVCKIC-GASCZTMLSA-N 1 0 352.438 2.800 20 70 FFIDRO Cc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000159446262 508843268 /nfs/dbraw/zinc/84/32/68/508843268.db2.gz VUYPFYDSAACVBC-AWEZNQCLSA-N 1 0 351.878 2.681 20 70 FFIDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1 ZINC000159458638 508844646 /nfs/dbraw/zinc/84/46/46/508844646.db2.gz BBHQOGAYXGCHJN-UHFFFAOYSA-N 1 0 373.497 2.748 20 70 FFIDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3cccc(=O)n3C)cc2)C1 ZINC000159536938 508854781 /nfs/dbraw/zinc/85/47/81/508854781.db2.gz GGUYEKOFJQMXOL-IAGOWNOFSA-N 1 0 367.493 2.793 20 70 FFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000159543074 508856119 /nfs/dbraw/zinc/85/61/19/508856119.db2.gz NHCLIZPPFSBGMU-JSGCOSHPSA-N 1 0 366.387 2.977 20 70 FFIDRO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C[C@H]1CCC[C@@H]1O ZINC000159551120 508857017 /nfs/dbraw/zinc/85/70/17/508857017.db2.gz LCWSHMGYCVWDHO-UTKZUKDTSA-N 1 0 367.493 2.876 20 70 FFIDRO CCCS(=O)(=O)Nc1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000159580732 508861330 /nfs/dbraw/zinc/86/13/30/508861330.db2.gz VBCIWCJCIWNIRY-VHRNVKJDSA-N 1 0 365.499 2.698 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCCCc2cn(-c3ccccc3)nc2C)CC1 ZINC000159681538 508874882 /nfs/dbraw/zinc/87/48/82/508874882.db2.gz NQQNJZNCBPVKPF-UHFFFAOYSA-N 1 0 369.513 2.851 20 70 FFIDRO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000159696629 508876618 /nfs/dbraw/zinc/87/66/18/508876618.db2.gz YIMMRCPFAZBSCK-CYBMUJFWSA-N 1 0 372.435 2.772 20 70 FFIDRO CC(C)OC(=O)CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000159793237 508892131 /nfs/dbraw/zinc/89/21/31/508892131.db2.gz SYFFJDFEBJGLRQ-UHFFFAOYSA-N 1 0 353.507 2.815 20 70 FFIDRO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159804143 508893351 /nfs/dbraw/zinc/89/33/51/508893351.db2.gz JXBQYLJVNXRMKW-CIUDSAMLSA-N 1 0 366.330 2.802 20 70 FFIDRO CCc1nn(C)c(CC)c1CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000159830464 508897754 /nfs/dbraw/zinc/89/77/54/508897754.db2.gz KKEJKUYMCGRWKO-QGZVFWFLSA-N 1 0 371.529 2.517 20 70 FFIDRO O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159839036 508899387 /nfs/dbraw/zinc/89/93/87/508899387.db2.gz VRTPZPRWJSOYMJ-UHFFFAOYSA-N 1 0 360.408 2.755 20 70 FFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1cc(OC)ccc1Br ZINC000159857587 508901601 /nfs/dbraw/zinc/90/16/01/508901601.db2.gz OUAGXKINIBBRSO-GFCCVEGCSA-N 1 0 357.292 2.847 20 70 FFIDRO C[C@H](CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)C[NH+]1CCCCC1 ZINC000159930856 508913247 /nfs/dbraw/zinc/91/32/47/508913247.db2.gz CFADTNUFBGNVQI-OAHLLOKOSA-N 1 0 360.502 2.693 20 70 FFIDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)cc1 ZINC000159937466 508914295 /nfs/dbraw/zinc/91/42/95/508914295.db2.gz QCWRWUGFPAKIQD-UHFFFAOYSA-N 1 0 368.481 2.833 20 70 FFIDRO CCc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[nH]c(C)c1C(N)=O ZINC000159945724 508916028 /nfs/dbraw/zinc/91/60/28/508916028.db2.gz VZZVXBDKVBUWKD-AWEZNQCLSA-N 1 0 374.510 2.613 20 70 FFIDRO CC[C@@H](C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)[NH+](C)C ZINC000159982603 508920676 /nfs/dbraw/zinc/92/06/76/508920676.db2.gz RKVMEPMPESFNIZ-HOCLYGCPSA-N 1 0 360.433 2.922 20 70 FFIDRO Cc1c2cc(F)ccc2sc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159991167 508921944 /nfs/dbraw/zinc/92/19/44/508921944.db2.gz PWFDMSAJIYKCJD-CQSZACIVSA-N 1 0 350.459 2.925 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc2c3c([nH]c21)CCCC3 ZINC000159995345 508922914 /nfs/dbraw/zinc/92/29/14/508922914.db2.gz PYSQFPACVKVYLC-OAHLLOKOSA-N 1 0 355.482 2.623 20 70 FFIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc(Br)cc1 ZINC000160016814 508926039 /nfs/dbraw/zinc/92/60/39/508926039.db2.gz KSFHGPQOSPBRJT-IOASZLSFSA-N 1 0 353.260 2.920 20 70 FFIDRO C[C@@H]1C[C@H](N(C)C(=O)NCCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000160044139 508929586 /nfs/dbraw/zinc/92/95/86/508929586.db2.gz KSPVNFNLPLCIRU-IEBWSBKVSA-N 1 0 355.486 2.578 20 70 FFIDRO CCC(CC)[C@H](CNC(=O)N1CCCN(CC(F)F)CC1)[NH+]1CCCC1 ZINC000160131947 508943098 /nfs/dbraw/zinc/94/30/98/508943098.db2.gz GXIHTGHCXLSQIB-KRWDZBQOSA-N 1 0 374.520 2.869 20 70 FFIDRO CCC[C@@H]1CN(C(=O)NC[C@H](OC)c2ccccc2)CC[N@@H+]1CCOC ZINC000160151803 508945974 /nfs/dbraw/zinc/94/59/74/508945974.db2.gz FFOMBRNJIWDYTF-MOPGFXCFSA-N 1 0 363.502 2.516 20 70 FFIDRO CC(=O)Nc1cccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000160163784 508948350 /nfs/dbraw/zinc/94/83/50/508948350.db2.gz VAVUZBGKPLYQMI-UHFFFAOYSA-N 1 0 360.502 2.908 20 70 FFIDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000160163463 508948396 /nfs/dbraw/zinc/94/83/96/508948396.db2.gz PHSBXGZIZPPJRK-ZDUSSCGKSA-N 1 0 354.394 2.627 20 70 FFIDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000160164999 508948408 /nfs/dbraw/zinc/94/84/08/508948408.db2.gz MMQDNOYIIWDITD-CQSZACIVSA-N 1 0 370.849 2.983 20 70 FFIDRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCC[NH3+] ZINC000160170681 508949190 /nfs/dbraw/zinc/94/91/90/508949190.db2.gz HXWFVWSYNIYGKA-UHFFFAOYSA-N 1 0 355.269 2.803 20 70 FFIDRO CS[C@H](C)CC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000160180106 508950448 /nfs/dbraw/zinc/95/04/48/508950448.db2.gz MDZCMFPLVJFKDR-GOSISDBHSA-N 1 0 363.571 2.842 20 70 FFIDRO [NH3+]C[C@H]1CCCN1C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000160253844 508960946 /nfs/dbraw/zinc/96/09/46/508960946.db2.gz TYGYACFGAASJBH-QGZVFWFLSA-N 1 0 372.852 2.900 20 70 FFIDRO Cc1cccc(-n2cc(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)nn2)c1 ZINC000160273340 508963083 /nfs/dbraw/zinc/96/30/83/508963083.db2.gz GZSDSZCYQVRAJS-QGZVFWFLSA-N 1 0 355.486 2.960 20 70 FFIDRO O=C(COC/C=C/c1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160292074 508965501 /nfs/dbraw/zinc/96/55/01/508965501.db2.gz KHCLOUXSVCXARQ-ULJFZEHQSA-N 1 0 372.509 2.601 20 70 FFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1nnn(-c3cccc(Cl)c3)c1C)CC2 ZINC000160308025 508968231 /nfs/dbraw/zinc/96/82/31/508968231.db2.gz XSXNTKBEMGKDDN-IAQYHMDHSA-N 1 0 371.876 2.795 20 70 FFIDRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160328991 508971726 /nfs/dbraw/zinc/97/17/26/508971726.db2.gz JXJBNYJLLVMMTN-GOEBONIOSA-N 1 0 369.303 2.594 20 70 FFIDRO O=C(C[C@H]1OCCc2ccccc21)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160363575 508976167 /nfs/dbraw/zinc/97/61/67/508976167.db2.gz SFUNZUPFKIGLKJ-PCCBWWKXSA-N 1 0 372.509 2.575 20 70 FFIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000160360803 508976237 /nfs/dbraw/zinc/97/62/37/508976237.db2.gz HGDJISLYZYUFKJ-CALCHBBNSA-N 1 0 374.520 2.727 20 70 FFIDRO CC(C)Oc1cccc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160440066 508987665 /nfs/dbraw/zinc/98/76/65/508987665.db2.gz NQVJFJUBFDSDAO-RTWAWAEBSA-N 1 0 374.525 2.900 20 70 FFIDRO O=C(COc1ccc(Cl)cc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160445746 508988616 /nfs/dbraw/zinc/98/86/16/508988616.db2.gz XQJSVWDZJRNYQK-ROUUACIJSA-N 1 0 366.889 2.603 20 70 FFIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2cnc3cc(F)c(F)cc3n2)C[C@H](C)O1 ZINC000160465072 508990645 /nfs/dbraw/zinc/99/06/45/508990645.db2.gz NQGVNTLMVZYHMZ-MJBXVCDLSA-N 1 0 362.424 2.986 20 70 FFIDRO CCCc1nc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nn1-c1ccccc1Cl ZINC000160477578 508992527 /nfs/dbraw/zinc/99/25/27/508992527.db2.gz SOLMLEHZYXKSDT-OKILXGFUSA-N 1 0 373.888 2.840 20 70 FFIDRO COc1cc(-c2ccccc2)sc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160562371 509003391 /nfs/dbraw/zinc/00/33/91/509003391.db2.gz JARYXNAEWLEYNW-UHFFFAOYSA-N 1 0 374.506 2.858 20 70 FFIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000160562712 509003689 /nfs/dbraw/zinc/00/36/89/509003689.db2.gz CILDBNFFIJNKBG-GOSISDBHSA-N 1 0 359.514 2.620 20 70 FFIDRO Cc1ccccc1SCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160593467 509007929 /nfs/dbraw/zinc/00/79/29/509007929.db2.gz RCIUZZRPLRTMMJ-ROUUACIJSA-N 1 0 362.539 2.971 20 70 FFIDRO C[NH2+][C@H]1CCN(C(=O)CCSc2ncnc3sc(C)c(C)c32)C1 ZINC000160616792 509010795 /nfs/dbraw/zinc/01/07/95/509010795.db2.gz DANAXRRAWXPOKY-LBPRGKRZSA-N 1 0 350.513 2.611 20 70 FFIDRO O=C(Cc1ccc2c(c1)CCCC2)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160650914 509014620 /nfs/dbraw/zinc/01/46/20/509014620.db2.gz UQPCRXWKLHIXNA-FGZHOGPDSA-N 1 0 370.537 2.992 20 70 FFIDRO Cc1ccc(SCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160663252 509016995 /nfs/dbraw/zinc/01/69/95/509016995.db2.gz APHROBPOFWLTIN-OALUTQOASA-N 1 0 362.539 2.971 20 70 FFIDRO COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cc(OC)c1OC ZINC000160665142 509017028 /nfs/dbraw/zinc/01/70/28/509017028.db2.gz ZIPNFCHDGXYIIE-ZDUSSCGKSA-N 1 0 369.425 2.539 20 70 FFIDRO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc2c[nH]nc21 ZINC000160670309 509017402 /nfs/dbraw/zinc/01/74/02/509017402.db2.gz PZFPNTIJMBULFT-UHFFFAOYSA-N 1 0 366.421 2.795 20 70 FFIDRO COc1cc(CN(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)c(SC)cc1OC ZINC000160674468 509018690 /nfs/dbraw/zinc/01/86/90/509018690.db2.gz PBQQEUBHBHRIGC-JSGCOSHPSA-N 1 0 352.500 2.902 20 70 FFIDRO CC[N@H+](C)C[C@H]1CCN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000160680264 509019531 /nfs/dbraw/zinc/01/95/31/509019531.db2.gz ZNNSCKYXPBUVRV-CXAGYDPISA-N 1 0 353.869 2.858 20 70 FFIDRO CC(C)(C)c1nc(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cs1 ZINC000160687181 509020605 /nfs/dbraw/zinc/02/06/05/509020605.db2.gz HHMASSKJDGXRFJ-INIZCTEOSA-N 1 0 365.543 2.743 20 70 FFIDRO C[NH+](C)CCN(C(=O)NCc1cnn(Cc2ccccc2)c1)C1CCCC1 ZINC000160717293 509024234 /nfs/dbraw/zinc/02/42/34/509024234.db2.gz DXQMOOIDSMYYRX-UHFFFAOYSA-N 1 0 369.513 2.947 20 70 FFIDRO O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160734226 509025837 /nfs/dbraw/zinc/02/58/37/509025837.db2.gz FEUNYJCLWBNHKF-DLBZAZTESA-N 1 0 364.436 2.639 20 70 FFIDRO CCOc1ccccc1CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160747317 509028443 /nfs/dbraw/zinc/02/84/43/509028443.db2.gz IVIQIGKOLREYTE-UXHICEINSA-N 1 0 374.525 2.902 20 70 FFIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ncc(-c3ccccc3)s2)CC1 ZINC000160800717 509034624 /nfs/dbraw/zinc/03/46/24/509034624.db2.gz CTCURDYDEUGNSC-INIZCTEOSA-N 1 0 356.495 2.729 20 70 FFIDRO CN(C(=O)[C@H]1CCc2c[nH]nc2C1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160856332 509040921 /nfs/dbraw/zinc/04/09/21/509040921.db2.gz MSSLLOKZAARRKD-INIZCTEOSA-N 1 0 368.481 2.652 20 70 FFIDRO COCCN(CC[NH+](C)C)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000160874709 509042060 /nfs/dbraw/zinc/04/20/60/509042060.db2.gz MFTVOUAQQOYTCX-UHFFFAOYSA-N 1 0 373.501 2.839 20 70 FFIDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000160917475 509048157 /nfs/dbraw/zinc/04/81/57/509048157.db2.gz PQHPDQLPBCDDMP-UHFFFAOYSA-N 1 0 356.474 2.868 20 70 FFIDRO Cc1cccc(C)c1NC(=O)CN(C)Cc1cnc(N2CCOCC2)s1 ZINC000160922681 509048176 /nfs/dbraw/zinc/04/81/76/509048176.db2.gz MXKSILHUVQYSKU-UHFFFAOYSA-N 1 0 374.510 2.667 20 70 FFIDRO COC(=O)c1csc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000160937519 509050651 /nfs/dbraw/zinc/05/06/51/509050651.db2.gz ASRJMQSHOBTTJS-HNNXBMFYSA-N 1 0 361.467 2.829 20 70 FFIDRO Cc1c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cnn1C1CCOCC1 ZINC000161018114 509060522 /nfs/dbraw/zinc/06/05/22/509060522.db2.gz MBORLYDZLVEHIF-QRWLVFNGSA-N 1 0 362.518 2.783 20 70 FFIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000161091245 509070241 /nfs/dbraw/zinc/07/02/41/509070241.db2.gz BDGLUFDSLZLNIE-UTKZUKDTSA-N 1 0 368.477 2.900 20 70 FFIDRO CCN(Cc1ccccn1)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161116091 509073235 /nfs/dbraw/zinc/07/32/35/509073235.db2.gz GLOIFKHTOYEHAH-GHTZIAJQSA-N 1 0 366.509 2.683 20 70 FFIDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cn(-c2ccccc2)nn1 ZINC000161124785 509075140 /nfs/dbraw/zinc/07/51/40/509075140.db2.gz BVSJQVSYGFETPZ-HOTGVXAUSA-N 1 0 368.485 2.644 20 70 FFIDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)Cc2c(F)cccc2F)C1 ZINC000161136331 509076259 /nfs/dbraw/zinc/07/62/59/509076259.db2.gz QCWKTYUHCPRSQF-ZDUSSCGKSA-N 1 0 360.470 2.895 20 70 FFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000161158228 509078563 /nfs/dbraw/zinc/07/85/63/509078563.db2.gz GKNFEFAZOSOHRF-JKSUJKDBSA-N 1 0 363.502 2.885 20 70 FFIDRO Cn1ccnc1C[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000161201510 509084751 /nfs/dbraw/zinc/08/47/51/509084751.db2.gz NYWKXUGOIOYOIH-GOSISDBHSA-N 1 0 360.546 2.959 20 70 FFIDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)CC1 ZINC000161208469 509086501 /nfs/dbraw/zinc/08/65/01/509086501.db2.gz OXSHNBMMPSFJCU-GOSISDBHSA-N 1 0 366.546 2.789 20 70 FFIDRO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161232157 509089969 /nfs/dbraw/zinc/08/99/69/509089969.db2.gz KYQYGINETDDKFJ-DOTOQJQBSA-N 1 0 361.404 2.678 20 70 FFIDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(OC)ccc1OC ZINC000161240854 509090902 /nfs/dbraw/zinc/09/09/02/509090902.db2.gz HLSIPKXELLKVQI-OAHLLOKOSA-N 1 0 370.515 2.637 20 70 FFIDRO COc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)cc1N ZINC000161274116 509095135 /nfs/dbraw/zinc/09/51/35/509095135.db2.gz UHHIXPFIKQJZNE-UHFFFAOYSA-N 1 0 368.481 2.737 20 70 FFIDRO CC(C)c1ccc(N2CC[C@H](C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1 ZINC000161343021 509104773 /nfs/dbraw/zinc/10/47/73/509104773.db2.gz FVMVCAGJFVWTOA-OXQOHEQNSA-N 1 0 369.509 2.763 20 70 FFIDRO CCOCCC1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000161438735 509115274 /nfs/dbraw/zinc/11/52/74/509115274.db2.gz MZDPCEPVQFVRGR-UHFFFAOYSA-N 1 0 369.575 2.854 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3OC)c1 ZINC000161454077 509117378 /nfs/dbraw/zinc/11/73/78/509117378.db2.gz MMSHXETXNPRDCK-SCLBCKFNSA-N 1 0 360.479 2.941 20 70 FFIDRO CC[N@H+](CCNCc1ccc(C(=O)OC)cc1Br)C1CC1 ZINC000218458714 509278331 /nfs/dbraw/zinc/27/83/31/509278331.db2.gz GAIZYPJKJLGZLA-UHFFFAOYSA-N 1 0 355.276 2.810 20 70 FFIDRO C[C@H](CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000159362841 508831598 /nfs/dbraw/zinc/83/15/98/508831598.db2.gz VAORZVAZGMNGIS-DYESRHJHSA-N 1 0 352.478 2.716 20 70 FFIDRO CSc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)ccc1F ZINC000159369922 508832428 /nfs/dbraw/zinc/83/24/28/508832428.db2.gz BEJBZWXCYXOCJV-UHFFFAOYSA-N 1 0 360.458 2.947 20 70 FFIDRO COc1cc([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)ccc1S(C)(=O)=O ZINC000159379959 508834286 /nfs/dbraw/zinc/83/42/86/508834286.db2.gz IXYIZPSMFVAXSX-KSSFIOAISA-N 1 0 357.516 2.937 20 70 FFIDRO C[C@@H]([NH3+])C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000159484554 508848660 /nfs/dbraw/zinc/84/86/60/508848660.db2.gz JKCRGXNHOWGWMM-GFCCVEGCSA-N 1 0 356.401 2.702 20 70 FFIDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(OCc2ccccn2)cc1)C1CC1 ZINC000159580189 508861517 /nfs/dbraw/zinc/86/15/17/508861517.db2.gz FBDZDZODXMFVJR-HXUWFJFHSA-N 1 0 353.466 2.660 20 70 FFIDRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000159582214 508861536 /nfs/dbraw/zinc/86/15/36/508861536.db2.gz LYAHJUNTICPMQY-SFHVURJKSA-N 1 0 373.478 2.664 20 70 FFIDRO C[NH+](C)CC1CCC(NC(=O)CCc2cc3ccccc3[nH]c2=O)CC1 ZINC000159603577 508864400 /nfs/dbraw/zinc/86/44/00/508864400.db2.gz SEAHEMOJDDMUNT-UHFFFAOYSA-N 1 0 355.482 2.697 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000159649685 508871074 /nfs/dbraw/zinc/87/10/74/508871074.db2.gz KJFHRENYOZFRAR-UHFFFAOYSA-N 1 0 360.289 2.538 20 70 FFIDRO Cc1cc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)ncn1 ZINC000159697108 508877142 /nfs/dbraw/zinc/87/71/42/508877142.db2.gz CSOHHRCTPIMDQT-UHFFFAOYSA-N 1 0 351.454 2.569 20 70 FFIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000159769943 508887818 /nfs/dbraw/zinc/88/78/18/508887818.db2.gz DPSGTIUNFJGGIS-AWEZNQCLSA-N 1 0 362.455 2.545 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000159770463 508888943 /nfs/dbraw/zinc/88/89/43/508888943.db2.gz AYAXACDUSQGVBG-MRXNPFEDSA-N 1 0 358.486 2.612 20 70 FFIDRO O=C([C@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159864095 508902617 /nfs/dbraw/zinc/90/26/17/508902617.db2.gz YLLPVILKUZQESK-ROUUACIJSA-N 1 0 356.466 2.552 20 70 FFIDRO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159899401 508908562 /nfs/dbraw/zinc/90/85/62/508908562.db2.gz IAUMZDBMJCEWRH-IRXDYDNUSA-N 1 0 363.465 2.931 20 70 FFIDRO COC(=O)[C@H](NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccnc1 ZINC000159904488 508909252 /nfs/dbraw/zinc/90/92/52/508909252.db2.gz YDPHBLSERBKRKO-DNVCBOLYSA-N 1 0 354.454 2.506 20 70 FFIDRO C[C@@]1(O)CCCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000159984987 508920876 /nfs/dbraw/zinc/92/08/76/508920876.db2.gz FVMHVPJOOWTKJO-LJQANCHMSA-N 1 0 365.905 2.861 20 70 FFIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000160028339 508927611 /nfs/dbraw/zinc/92/76/11/508927611.db2.gz IITKACRDFQSVHZ-HUUCEWRRSA-N 1 0 360.502 2.691 20 70 FFIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160119334 508940891 /nfs/dbraw/zinc/94/08/91/508940891.db2.gz IQNQOZDKPUHQIW-FQEVSTJZSA-N 1 0 373.545 2.563 20 70 FFIDRO O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000160127357 508942631 /nfs/dbraw/zinc/94/26/31/508942631.db2.gz SSPFZZNZWCKJRA-CYBMUJFWSA-N 1 0 367.852 2.656 20 70 FFIDRO CO[C@@H](C)c1noc(CCC(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)n1 ZINC000160130519 508942784 /nfs/dbraw/zinc/94/27/84/508942784.db2.gz RNURUHSVNBDKDI-GOEBONIOSA-N 1 0 370.453 2.721 20 70 FFIDRO COCC[NH2+]CC(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000160152150 508945924 /nfs/dbraw/zinc/94/59/24/508945924.db2.gz MTXJGHIMCUCYSK-UHFFFAOYSA-N 1 0 369.303 2.613 20 70 FFIDRO C[C@]1(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)CC[NH2+]C1 ZINC000160156776 508946781 /nfs/dbraw/zinc/94/67/81/508946781.db2.gz IGFFQDDARPZEPN-IBGZPJMESA-N 1 0 374.462 2.821 20 70 FFIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000160157022 508946820 /nfs/dbraw/zinc/94/68/20/508946820.db2.gz RFRRWPJTEBJLNH-FZMZJTMJSA-N 1 0 354.907 2.994 20 70 FFIDRO CCOC(=O)C1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160217144 508956041 /nfs/dbraw/zinc/95/60/41/508956041.db2.gz CYSKIZVAOMLZDJ-APWZRJJASA-N 1 0 373.497 2.634 20 70 FFIDRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160237673 508958296 /nfs/dbraw/zinc/95/82/96/508958296.db2.gz MHFQPNJYNSKKSL-MWLCHTKSSA-N 1 0 361.667 2.820 20 70 FFIDRO O=C(Cc1c[nH]c2ccccc12)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160237999 508958306 /nfs/dbraw/zinc/95/83/06/508958306.db2.gz JZMHWGXEMBKBOU-PMACEKPBSA-N 1 0 355.482 2.595 20 70 FFIDRO Cc1ccc(OCCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000160243096 508958910 /nfs/dbraw/zinc/95/89/10/508958910.db2.gz LATUNMRBKNWNDM-UXHICEINSA-N 1 0 374.525 2.956 20 70 FFIDRO COc1cccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160285832 508964946 /nfs/dbraw/zinc/96/49/46/508964946.db2.gz BOOJLSSQZXSRMD-RMQQFATJSA-N 1 0 358.482 2.593 20 70 FFIDRO O=C(NCc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1)c1cccs1 ZINC000160293244 508965915 /nfs/dbraw/zinc/96/59/15/508965915.db2.gz JRYZIVGMYHSZQX-CALCHBBNSA-N 1 0 369.490 2.645 20 70 FFIDRO COCC[NH+]1CCC(NC(=O)c2c3c(sc2-n2cccc2)CCC3)CC1 ZINC000160297304 508966250 /nfs/dbraw/zinc/96/62/50/508966250.db2.gz UHBLPPMKVDJIHF-UHFFFAOYSA-N 1 0 373.522 2.868 20 70 FFIDRO COc1ccccc1/C(C)=C/C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160297935 508966693 /nfs/dbraw/zinc/96/66/93/508966693.db2.gz SKSJYZVWWBCCFU-QUDYQQOWSA-N 1 0 372.509 2.983 20 70 FFIDRO CC(C)[C@@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000160317568 508969259 /nfs/dbraw/zinc/96/92/59/508969259.db2.gz HDHDQOOQJWDEGO-GOSISDBHSA-N 1 0 355.486 2.958 20 70 FFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cccc(N(C)C)n2)c1 ZINC000160312002 508969644 /nfs/dbraw/zinc/96/96/44/508969644.db2.gz JDNFVWGFNRQQLN-UHFFFAOYSA-N 1 0 355.486 2.599 20 70 FFIDRO CCc1nn(C)c(Cl)c1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000160344203 508973537 /nfs/dbraw/zinc/97/35/37/508973537.db2.gz OERICITUUDMOBE-UHFFFAOYSA-N 1 0 370.950 2.727 20 70 FFIDRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160370924 508977693 /nfs/dbraw/zinc/97/76/93/508977693.db2.gz LACNGIVGDUYZGO-IBGZPJMESA-N 1 0 368.437 2.603 20 70 FFIDRO FC(F)(F)c1nnc2ccc(N3CCC[C@H]3C[NH+]3CCCCC3)nn21 ZINC000160431066 508986143 /nfs/dbraw/zinc/98/61/43/508986143.db2.gz XLLNVKFCILQDSW-LBPRGKRZSA-N 1 0 354.380 2.598 20 70 FFIDRO COC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc(C(F)(F)F)c1 ZINC000160467503 508991285 /nfs/dbraw/zinc/99/12/85/508991285.db2.gz QYEPSXNZVWKCQT-LSDHHAIUSA-N 1 0 354.376 2.897 20 70 FFIDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160468514 508991533 /nfs/dbraw/zinc/99/15/33/508991533.db2.gz RDYJJBMEFRFXKL-JOCHJYFZSA-N 1 0 354.494 2.866 20 70 FFIDRO O=C(CCc1cccc(F)c1F)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160496336 508995093 /nfs/dbraw/zinc/99/50/93/508995093.db2.gz HNJBBAHOUHDOMD-ROUUACIJSA-N 1 0 366.452 2.782 20 70 FFIDRO C[C@H]1C[C@H](N(C)C(=O)NCCOCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000160526878 508998499 /nfs/dbraw/zinc/99/84/99/508998499.db2.gz GFNIXNFFFAVIBU-WMLDXEAASA-N 1 0 353.894 2.981 20 70 FFIDRO CCSc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000160590169 509006839 /nfs/dbraw/zinc/00/68/39/509006839.db2.gz YLOKFMUJSGQWMT-IAGOWNOFSA-N 1 0 363.527 2.691 20 70 FFIDRO CCc1ccc(S(C)(=O)=O)cc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000160655877 509015299 /nfs/dbraw/zinc/01/52/99/509015299.db2.gz AKNHNTPMKMRADH-UHFFFAOYSA-N 1 0 366.527 2.647 20 70 FFIDRO O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160699440 509021785 /nfs/dbraw/zinc/02/17/85/509021785.db2.gz RBEABXKJIQBGGH-BETUJISGSA-N 1 0 364.371 2.858 20 70 FFIDRO CCOCCC1(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCCC1 ZINC000160749283 509028147 /nfs/dbraw/zinc/02/81/47/509028147.db2.gz DDRQUKACKMSWSD-UXHICEINSA-N 1 0 374.525 2.725 20 70 FFIDRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)nc2)CC1 ZINC000160789538 509033479 /nfs/dbraw/zinc/03/34/79/509033479.db2.gz DYHPENMTSLZGFT-RDJZCZTQSA-N 1 0 372.419 2.854 20 70 FFIDRO C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000160853505 509039933 /nfs/dbraw/zinc/03/99/33/509039933.db2.gz MUJZFGNRXLABMI-MAUKXSAKSA-N 1 0 372.490 2.727 20 70 FFIDRO CC(=O)N1CCCc2cc(NC(=O)N[C@H](C)C[NH+]3CCCCC3)ccc21 ZINC000160868126 509041567 /nfs/dbraw/zinc/04/15/67/509041567.db2.gz YJMGRRAIPONSFO-OAHLLOKOSA-N 1 0 358.486 2.982 20 70 FFIDRO O=C(CCCOc1ccc2c(c1)CCC2)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000160947405 509051966 /nfs/dbraw/zinc/05/19/66/509051966.db2.gz WNZIIPOUDMHTEP-GOSISDBHSA-N 1 0 372.509 2.515 20 70 FFIDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C1CCOCC1 ZINC000160953465 509052577 /nfs/dbraw/zinc/05/25/77/509052577.db2.gz HXKSMLNBEUICEF-BBWFWOEESA-N 1 0 360.498 2.841 20 70 FFIDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160966477 509054254 /nfs/dbraw/zinc/05/42/54/509054254.db2.gz IWBRGTNBHQQDNB-LBPRGKRZSA-N 1 0 374.510 2.641 20 70 FFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000161010703 509059136 /nfs/dbraw/zinc/05/91/36/509059136.db2.gz ZSJUYVSJZFTGNO-CVEARBPZSA-N 1 0 366.531 2.737 20 70 FFIDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000161008882 509059172 /nfs/dbraw/zinc/05/91/72/509059172.db2.gz BTZVGXHXMRMNDG-HNNXBMFYSA-N 1 0 369.465 2.540 20 70 FFIDRO Cc1ccc(C(=O)CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000161041532 509063768 /nfs/dbraw/zinc/06/37/68/509063768.db2.gz QVXRVOBSGALQLC-WCRBZPEASA-N 1 0 355.526 2.811 20 70 FFIDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCn2ccnc2C1 ZINC000161039891 509063908 /nfs/dbraw/zinc/06/39/08/509063908.db2.gz QVDDUQVVPOTCQZ-MRXNPFEDSA-N 1 0 370.522 2.941 20 70 FFIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000161066725 509066584 /nfs/dbraw/zinc/06/65/84/509066584.db2.gz SUVXFWCDTJIIET-QZTJIDSGSA-N 1 0 373.541 2.758 20 70 FFIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)C1 ZINC000161327923 509103112 /nfs/dbraw/zinc/10/31/12/509103112.db2.gz GOQAKIYGLAVYRI-MRXNPFEDSA-N 1 0 359.514 2.876 20 70 FFIDRO CC(C)c1ccc(N2CC[C@@H](C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1 ZINC000161342920 509104763 /nfs/dbraw/zinc/10/47/63/509104763.db2.gz FVMVCAGJFVWTOA-JXFKEZNVSA-N 1 0 369.509 2.763 20 70 FFIDRO CCNC(=O)C[N@H+](CC)Cc1cc(Br)cc2cccnc21 ZINC000161351531 509105247 /nfs/dbraw/zinc/10/52/47/509105247.db2.gz RSKHMJZIEKDYJR-UHFFFAOYSA-N 1 0 350.260 2.955 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccc(Br)cc1Cl ZINC000161373650 509108489 /nfs/dbraw/zinc/10/84/89/509108489.db2.gz OHDHGJOTGGOEIC-NSHDSACASA-N 1 0 361.667 2.692 20 70 FFIDRO O[C@H](C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000161431127 509114659 /nfs/dbraw/zinc/11/46/59/509114659.db2.gz SOLOMBSCXRVPBU-DZGCQCFKSA-N 1 0 367.795 2.715 20 70 FFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3OC)c1 ZINC000161454188 509117445 /nfs/dbraw/zinc/11/74/45/509117445.db2.gz MMSHXETXNPRDCK-FZKQIMNGSA-N 1 0 360.479 2.941 20 70 FFIDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000161480055 509120252 /nfs/dbraw/zinc/12/02/52/509120252.db2.gz NEVXQWVSVHMDEG-AWEZNQCLSA-N 1 0 357.429 2.939 20 70 FFIDRO CC[NH+](CC)CCNC(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000161483886 509120577 /nfs/dbraw/zinc/12/05/77/509120577.db2.gz UYMZOZIAOGSBOP-SFHVURJKSA-N 1 0 363.502 2.694 20 70 FFIDRO CC(=O)NC1CCC([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)CC1 ZINC000161488470 509120968 /nfs/dbraw/zinc/12/09/68/509120968.db2.gz XGASYDOXIXQITG-JCYILVPMSA-N 1 0 365.468 2.966 20 70 FFIDRO C[N@@H+]1CCN(CCCN2C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2)C1 ZINC000216739854 509263933 /nfs/dbraw/zinc/26/39/33/509263933.db2.gz XLRBQNSQMFJRAT-HXUWFJFHSA-N 1 0 363.461 2.661 20 70 FFIDRO Cc1noc(C)c1CCNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000159363803 508831867 /nfs/dbraw/zinc/83/18/67/508831867.db2.gz AVSCYRNCHXHCNS-UHFFFAOYSA-N 1 0 350.507 2.987 20 70 FFIDRO C[C@H](CNC(=O)Cc1ccc(Br)c(F)c1)C[NH+]1CCCC1 ZINC000159374257 508832591 /nfs/dbraw/zinc/83/25/91/508832591.db2.gz LCNYQUOZORGMGH-GFCCVEGCSA-N 1 0 357.267 2.979 20 70 FFIDRO C[N@H+](CCNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)C1CCCC1 ZINC000159421976 508839790 /nfs/dbraw/zinc/83/97/90/508839790.db2.gz HGYMHBLTPCMAKJ-LLVKDONJSA-N 1 0 358.408 2.524 20 70 FFIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000159454515 508844280 /nfs/dbraw/zinc/84/42/80/508844280.db2.gz FQLNUYLQSXKCCT-AWEZNQCLSA-N 1 0 357.545 2.704 20 70 FFIDRO CCc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[nH]c(C)c1C(N)=O ZINC000159459886 508845320 /nfs/dbraw/zinc/84/53/20/508845320.db2.gz NMNFSTVAJZHIAW-HNNXBMFYSA-N 1 0 372.469 2.534 20 70 FFIDRO CC[NH+](CC)CCCNC(=O)N1CCN([C@H](C)c2ccsc2)CC1 ZINC000159468941 508846232 /nfs/dbraw/zinc/84/62/32/508846232.db2.gz UHPWDIDJYFDDOI-MRXNPFEDSA-N 1 0 352.548 2.868 20 70 FFIDRO COCc1nc(C)c(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)s1 ZINC000159534459 508854299 /nfs/dbraw/zinc/85/42/99/508854299.db2.gz LXZQNQLBZZHUTG-UHFFFAOYSA-N 1 0 365.474 2.941 20 70 FFIDRO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1OCc1ccncc1 ZINC000159537686 508854419 /nfs/dbraw/zinc/85/44/19/508854419.db2.gz GUGFRLWHLMOTCU-YJBOKZPZSA-N 1 0 369.465 2.755 20 70 FFIDRO COc1cc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000159538315 508855552 /nfs/dbraw/zinc/85/55/52/508855552.db2.gz ODKHSZARLFJTJN-YJBOKZPZSA-N 1 0 369.465 2.721 20 70 FFIDRO Cc1ccc(NC(=O)NC[C@@H](O)c2ccsc2)c(OCC[NH+](C)C)c1 ZINC000159559168 508858700 /nfs/dbraw/zinc/85/87/00/508858700.db2.gz UVPJXRCEJQSCCW-MRXNPFEDSA-N 1 0 363.483 2.852 20 70 FFIDRO O=C(c1c[nH]nc1-c1ccccc1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159562913 508859037 /nfs/dbraw/zinc/85/90/37/508859037.db2.gz DJBPQXJTESOVLY-SFHVURJKSA-N 1 0 368.481 2.794 20 70 FFIDRO CCOC(=O)c1sc([C@@H](C)NC(=O)N(CC[NH+](C)C)C(C)C)nc1C ZINC000159593724 508862771 /nfs/dbraw/zinc/86/27/71/508862771.db2.gz SGRVJJQZULDZFW-CYBMUJFWSA-N 1 0 370.519 2.671 20 70 FFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccnc(OCc3ccccc3)c2)CC1 ZINC000159608610 508865137 /nfs/dbraw/zinc/86/51/37/508865137.db2.gz JOYGEUWFTMVEGP-UHFFFAOYSA-N 1 0 368.481 2.898 20 70 FFIDRO Cc1nn(C)c(C)c1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000159622280 508866931 /nfs/dbraw/zinc/86/69/31/508866931.db2.gz NRBAGYDJDSPXTL-UHFFFAOYSA-N 1 0 361.534 2.835 20 70 FFIDRO CC[N@H+](CCOc1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000159627070 508868115 /nfs/dbraw/zinc/86/81/15/508868115.db2.gz TUHQXAGYPQCCSJ-UHFFFAOYSA-N 1 0 358.276 2.691 20 70 FFIDRO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000159629639 508868744 /nfs/dbraw/zinc/86/87/44/508868744.db2.gz JTWDYJRTFIBRSZ-OAQYLSRUSA-N 1 0 369.440 2.910 20 70 FFIDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000159655422 508871657 /nfs/dbraw/zinc/87/16/57/508871657.db2.gz PESOKFNXTVJQQF-IBGZPJMESA-N 1 0 360.502 2.609 20 70 FFIDRO C[NH+](C)Cc1cccc(CNC(=O)NC[C@](C)(O)c2ccc(F)cc2)c1 ZINC000159664881 508873596 /nfs/dbraw/zinc/87/35/96/508873596.db2.gz DVBMTUWCRHIVTK-FQEVSTJZSA-N 1 0 359.445 2.594 20 70 FFIDRO COc1ccc(Br)c(CC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000159695386 508876690 /nfs/dbraw/zinc/87/66/90/508876690.db2.gz WXXWQESOOHRCEP-UHFFFAOYSA-N 1 0 369.303 2.848 20 70 FFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccnn2C[C@H]2CCOC2)c1 ZINC000159757006 508885574 /nfs/dbraw/zinc/88/55/74/508885574.db2.gz AHVOMZKBRRRZPK-GOSISDBHSA-N 1 0 371.485 2.693 20 70 FFIDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159775586 508889209 /nfs/dbraw/zinc/88/92/09/508889209.db2.gz NNGHRYYPICFRPJ-AWEZNQCLSA-N 1 0 355.438 2.940 20 70 FFIDRO Cc1c(CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cnn1C ZINC000159799277 508892996 /nfs/dbraw/zinc/89/29/96/508892996.db2.gz VCSOSZYUDWNQEG-UHFFFAOYSA-N 1 0 369.513 2.960 20 70 FFIDRO COCCCOC1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000159804025 508893788 /nfs/dbraw/zinc/89/37/88/508893788.db2.gz PTIUHNKYNCZENA-UHFFFAOYSA-N 1 0 354.535 2.789 20 70 FFIDRO CC(C)[N@H+](CCc1nccs1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000159811488 508894385 /nfs/dbraw/zinc/89/43/85/508894385.db2.gz QHCKKDJMFSDZBQ-UHFFFAOYSA-N 1 0 367.540 2.847 20 70 FFIDRO C[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C[C@H]1CCC[C@@H]1O ZINC000159825975 508896805 /nfs/dbraw/zinc/89/68/05/508896805.db2.gz HDRLYTITVKDYAS-HIFRSBDPSA-N 1 0 359.297 2.745 20 70 FFIDRO O=C(N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000159829298 508897855 /nfs/dbraw/zinc/89/78/55/508897855.db2.gz HJFAJSJPRNZGQB-KUHUBIRLSA-N 1 0 372.852 2.926 20 70 FFIDRO CC(C)[C@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000159854028 508900816 /nfs/dbraw/zinc/90/08/16/508900816.db2.gz MKMKHAJZWCXODM-KRWDZBQOSA-N 1 0 352.500 2.856 20 70 FFIDRO Cc1cccc(OCCNC(=O)C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000159861841 508902351 /nfs/dbraw/zinc/90/23/51/508902351.db2.gz JELASYGBQCLNLN-UHFFFAOYSA-N 1 0 361.511 2.900 20 70 FFIDRO Cc1cc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)ccc1Br ZINC000159866608 508903300 /nfs/dbraw/zinc/90/33/00/508903300.db2.gz IJHGRDFHOWKFDB-WFASDCNBSA-N 1 0 355.276 2.789 20 70 FFIDRO CCCCn1ncc(NC(=O)NC2CC[NH+](CCCOC)CC2)c1C ZINC000159882713 508905612 /nfs/dbraw/zinc/90/56/12/508905612.db2.gz AMXDHWJDTVEJGR-UHFFFAOYSA-N 1 0 351.495 2.614 20 70 FFIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)N1CCc2ccccc21 ZINC000159926097 508912534 /nfs/dbraw/zinc/91/25/34/508912534.db2.gz JHOBIPMLESBGQW-JKSUJKDBSA-N 1 0 361.449 2.896 20 70 FFIDRO COc1cc(F)c([C@@H](C)NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1OC ZINC000159961576 508917530 /nfs/dbraw/zinc/91/75/30/508917530.db2.gz AFCKEJYBAHTHBP-GUYJKWIASA-N 1 0 350.434 2.941 20 70 FFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(n2ccnc2)CC1 ZINC000159965398 508918391 /nfs/dbraw/zinc/91/83/91/508918391.db2.gz UUVPKQXGNACHRH-PXNSSMCTSA-N 1 0 367.497 2.750 20 70 FFIDRO CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000159983067 508920609 /nfs/dbraw/zinc/92/06/09/508920609.db2.gz NJKJRJJOYNWNKE-RTBURBONSA-N 1 0 373.497 2.541 20 70 FFIDRO CSCC[C@@H]([NH3+])C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000159999561 508923726 /nfs/dbraw/zinc/92/37/26/508923726.db2.gz PJWQBDUFVOLJMS-CYBMUJFWSA-N 1 0 358.389 2.910 20 70 FFIDRO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](c3cnn(C)c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160006249 508924143 /nfs/dbraw/zinc/92/41/43/508924143.db2.gz PRBZGGONEDGFGB-IMFGXOCKSA-N 1 0 367.497 2.582 20 70 FFIDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000160004314 508924588 /nfs/dbraw/zinc/92/45/88/508924588.db2.gz KRPMMCDGAPLVCU-AWEZNQCLSA-N 1 0 366.893 2.990 20 70 FFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C(N)=O)c1ccccc1 ZINC000160026326 508927628 /nfs/dbraw/zinc/92/76/28/508927628.db2.gz YFSXWUDMDMKKAL-HXUWFJFHSA-N 1 0 352.482 2.847 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000160055476 508931899 /nfs/dbraw/zinc/93/18/99/508931899.db2.gz KAJOOHSOZZMXPV-UHFFFAOYSA-N 1 0 372.469 2.641 20 70 FFIDRO CC(C)[C@@H](SCc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160093182 508937305 /nfs/dbraw/zinc/93/73/05/508937305.db2.gz SVTDMEPFKCOIMB-RTBURBONSA-N 1 0 364.555 2.907 20 70 FFIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000160107470 508939665 /nfs/dbraw/zinc/93/96/65/508939665.db2.gz VXFCEGXQYCBMTO-IPJUCJBFSA-N 1 0 363.546 2.842 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCCN(CC(F)F)CC1)CC(C)C ZINC000160138879 508944396 /nfs/dbraw/zinc/94/43/96/508944396.db2.gz WWBXFTCBPQILTH-MRXNPFEDSA-N 1 0 362.509 2.725 20 70 FFIDRO Cc1conc1NC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000160146341 508945278 /nfs/dbraw/zinc/94/52/78/508945278.db2.gz LCYBEULLZUOWNY-HNNXBMFYSA-N 1 0 370.453 2.612 20 70 FFIDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000160160286 508947554 /nfs/dbraw/zinc/94/75/54/508947554.db2.gz VTYZXOKVOCIPLT-GJZGRUSLSA-N 1 0 371.447 2.636 20 70 FFIDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000160163581 508948319 /nfs/dbraw/zinc/94/83/19/508948319.db2.gz PHSBXGZIZPPJRK-CYBMUJFWSA-N 1 0 354.394 2.627 20 70 FFIDRO CCOc1ccc(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160166426 508948400 /nfs/dbraw/zinc/94/84/00/508948400.db2.gz SZEYFTBTIJQERY-SFTDATJTSA-N 1 0 374.525 2.902 20 70 FFIDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000160164859 508948435 /nfs/dbraw/zinc/94/84/35/508948435.db2.gz MMQDNOYIIWDITD-AWEZNQCLSA-N 1 0 370.849 2.983 20 70 FFIDRO CNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000160211467 508955054 /nfs/dbraw/zinc/95/50/54/508955054.db2.gz TYNBQARAFZJEPE-DNVCBOLYSA-N 1 0 366.465 2.831 20 70 FFIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(-c2cccs2)n[nH]1 ZINC000160244847 508959418 /nfs/dbraw/zinc/95/94/18/508959418.db2.gz NZRGLJOSRQNXHF-IRXDYDNUSA-N 1 0 374.510 2.636 20 70 FFIDRO CC[C@H](CC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(OC)cc1 ZINC000160252302 508960537 /nfs/dbraw/zinc/96/05/37/508960537.db2.gz JUZPVUWXDHEJSB-QGZVFWFLSA-N 1 0 360.498 2.902 20 70 FFIDRO CC(C)CCOc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000160301163 508967292 /nfs/dbraw/zinc/96/72/92/508967292.db2.gz OMIHDLNDHZZCJE-UHFFFAOYSA-N 1 0 357.458 2.880 20 70 FFIDRO CCOc1ccc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160366522 508977121 /nfs/dbraw/zinc/97/71/21/508977121.db2.gz DDJZIOFUBFEMNQ-UXHICEINSA-N 1 0 360.498 2.512 20 70 FFIDRO O=C(CCCOc1cccc2ccccc21)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160398722 508981088 /nfs/dbraw/zinc/98/10/88/508981088.db2.gz WWBQHVLUACQQRW-IBGZPJMESA-N 1 0 370.493 2.962 20 70 FFIDRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cncc(F)c1 ZINC000160400568 508981718 /nfs/dbraw/zinc/98/17/18/508981718.db2.gz RESJZQCILQPRHY-OAHLLOKOSA-N 1 0 374.435 2.749 20 70 FFIDRO O=C(CCC(=O)c1csc2ccccc12)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160415108 508983864 /nfs/dbraw/zinc/98/38/64/508983864.db2.gz NKAKWZHYNYPGPS-OAHLLOKOSA-N 1 0 374.506 2.827 20 70 FFIDRO COc1ccc([C@H](C)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160435256 508986928 /nfs/dbraw/zinc/98/69/28/508986928.db2.gz RPPLHDVFZFKWPV-BEVDRBHNSA-N 1 0 360.498 2.683 20 70 FFIDRO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC000160472223 508991599 /nfs/dbraw/zinc/99/15/99/508991599.db2.gz NHRHGBMBPNAWSK-LJQANCHMSA-N 1 0 351.466 2.595 20 70 FFIDRO CCC[N@H+](C)C[C@H]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000160494574 508995081 /nfs/dbraw/zinc/99/50/81/508995081.db2.gz ADUOMMIAMVOUFF-CJNGLKHVSA-N 1 0 368.319 2.639 20 70 FFIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1Cn1cccn1 ZINC000160511192 508997245 /nfs/dbraw/zinc/99/72/45/508997245.db2.gz UZSGZUZUWJAFSH-KBXCAEBGSA-N 1 0 366.469 2.506 20 70 FFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](NC(=O)c1ccccc1)C(C)C ZINC000160542891 509000397 /nfs/dbraw/zinc/00/03/97/509000397.db2.gz KNNSEONZCXCGTE-RTBURBONSA-N 1 0 359.514 2.678 20 70 FFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000160550427 509001838 /nfs/dbraw/zinc/00/18/38/509001838.db2.gz BBPBRGCQQCIJAD-OAHLLOKOSA-N 1 0 356.474 2.582 20 70 FFIDRO CCc1noc(C)c1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000160563989 509003574 /nfs/dbraw/zinc/00/35/74/509003574.db2.gz LPYRGPOSRBMFRM-CQSZACIVSA-N 1 0 364.490 2.501 20 70 FFIDRO CCCOc1c(Br)cc(C(=O)N2CC[C@H]([NH2+]C)C2)cc1OC ZINC000160598007 509008531 /nfs/dbraw/zinc/00/85/31/509008531.db2.gz MHAFRZUMTIHQAD-LBPRGKRZSA-N 1 0 371.275 2.680 20 70 FFIDRO C[NH2+][C@@H]1CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C1 ZINC000160640283 509012928 /nfs/dbraw/zinc/01/29/28/509012928.db2.gz VTPOUAPCZYVNOG-CYBMUJFWSA-N 1 0 371.441 2.569 20 70 FFIDRO O=C(CSc1ccc2ccccc2c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160655103 509015134 /nfs/dbraw/zinc/01/51/34/509015134.db2.gz DXHMWXHHCBPAKA-GOSISDBHSA-N 1 0 358.507 2.895 20 70 FFIDRO COc1cc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)cc(OC)c1OC ZINC000160665269 509016746 /nfs/dbraw/zinc/01/67/46/509016746.db2.gz ZIPNFCHDGXYIIE-CYBMUJFWSA-N 1 0 369.425 2.539 20 70 FFIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1OC(F)F ZINC000160680294 509019421 /nfs/dbraw/zinc/01/94/21/509019421.db2.gz JRDMIIBIPZNPMK-GFCCVEGCSA-N 1 0 362.804 2.518 20 70 FFIDRO COc1ccc2sc(C(=O)NCC3CC[NH+](CCO)CC3)c(C)c2c1 ZINC000160683946 509019623 /nfs/dbraw/zinc/01/96/23/509019623.db2.gz IZQUCVKPUFYITR-UHFFFAOYSA-N 1 0 362.495 2.652 20 70 FFIDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2cccnc2-c2ccccc2)CC1 ZINC000160691563 509021207 /nfs/dbraw/zinc/02/12/07/509021207.db2.gz QDGPQXFFEGDOIO-UHFFFAOYSA-N 1 0 366.465 2.535 20 70 FFIDRO CC[C@@H](O)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000160731553 509026126 /nfs/dbraw/zinc/02/61/26/509026126.db2.gz LBDHBVWISDFGSJ-CVEARBPZSA-N 1 0 353.532 2.981 20 70 FFIDRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000160740092 509026814 /nfs/dbraw/zinc/02/68/14/509026814.db2.gz DXMQBAJRPINLIS-MRXNPFEDSA-N 1 0 351.288 2.939 20 70 FFIDRO Cc1cccc2c(CCC(=O)N3CCC(C[NH+]4CCOCC4)CC3)c[nH]c21 ZINC000160735514 509026948 /nfs/dbraw/zinc/02/69/48/509026948.db2.gz YYZJITILRXNENJ-UHFFFAOYSA-N 1 0 369.509 2.980 20 70 FFIDRO Cc1ccc(OCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1C ZINC000160768992 509030590 /nfs/dbraw/zinc/03/05/90/509030590.db2.gz KSWVWKLVCAQFGI-WOJBJXKFSA-N 1 0 360.498 2.566 20 70 FFIDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc(Cl)n1 ZINC000160784427 509032606 /nfs/dbraw/zinc/03/26/06/509032606.db2.gz GMZRLGSUNJHUQA-HZPDHXFCSA-N 1 0 351.878 2.541 20 70 FFIDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000160855371 509041001 /nfs/dbraw/zinc/04/10/01/509041001.db2.gz QEZRDAHLDOYGMD-HZPDHXFCSA-N 1 0 374.520 2.725 20 70 FFIDRO Cc1nc(CC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)s1 ZINC000160911681 509047362 /nfs/dbraw/zinc/04/73/62/509047362.db2.gz AKPVTMUMLZVJTB-ZIAGYGMSSA-N 1 0 365.543 2.650 20 70 FFIDRO COc1ccc(CNC(=O)C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000160989810 509057120 /nfs/dbraw/zinc/05/71/20/509057120.db2.gz SGXDBKKOEUVVAQ-UHFFFAOYSA-N 1 0 353.466 2.570 20 70 FFIDRO CCc1nc2c(s1)[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)CCC2 ZINC000160986371 509057378 /nfs/dbraw/zinc/05/73/78/509057378.db2.gz TVYLEQMQEDTYTF-HNNXBMFYSA-N 1 0 359.495 2.998 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)NOCc1cccnc1)c1cccc(OC)c1 ZINC000161032818 509062480 /nfs/dbraw/zinc/06/24/80/509062480.db2.gz BIHUJCAGDPOWON-LJQANCHMSA-N 1 0 372.469 2.904 20 70 FFIDRO CC[NH+](CC)[C@@H](CNC(=O)NOCc1cccnc1)c1cccc(OC)c1 ZINC000161032687 509062521 /nfs/dbraw/zinc/06/25/21/509062521.db2.gz BIHUJCAGDPOWON-IBGZPJMESA-N 1 0 372.469 2.904 20 70 FFIDRO CC[NH+](CC)[C@H](CNC(=O)NOCc1cccnc1)Cc1ccccc1 ZINC000161072114 509067369 /nfs/dbraw/zinc/06/73/69/509067369.db2.gz RWYZFSFAZVQNKD-IBGZPJMESA-N 1 0 356.470 2.766 20 70 FFIDRO CCCC(O)(CCC)CC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000161080257 509068668 /nfs/dbraw/zinc/06/86/68/509068668.db2.gz AFYWJGKSLNJCSU-OALUTQOASA-N 1 0 367.578 2.725 20 70 FFIDRO CCC[C@@H]1CN(C(=O)Nc2cc(C(C)(C)C)on2)CC[N@@H+]1CCOC ZINC000161083699 509068811 /nfs/dbraw/zinc/06/88/11/509068811.db2.gz XMIBGQAWVYHWHD-CQSZACIVSA-N 1 0 352.479 2.937 20 70 FFIDRO CCCC(O)(CCC)CC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000161080127 509069137 /nfs/dbraw/zinc/06/91/37/509069137.db2.gz AFYWJGKSLNJCSU-KDURUIRLSA-N 1 0 367.578 2.725 20 70 FFIDRO CCc1ccc([C@@H](CNC(=O)[C@H](C)Oc2cccc(CO)c2)[NH+](C)C)cc1 ZINC000161089836 509069811 /nfs/dbraw/zinc/06/98/11/509069811.db2.gz JBGOFRISGZCQDZ-HRAATJIYSA-N 1 0 370.493 2.928 20 70 FFIDRO C[C@@H](Oc1cccc(CO)c1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000161100467 509071417 /nfs/dbraw/zinc/07/14/17/509071417.db2.gz GVDWGSDODLKGMZ-QGZVFWFLSA-N 1 0 356.466 2.585 20 70 FFIDRO COC(=O)c1csc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000161105058 509072061 /nfs/dbraw/zinc/07/20/61/509072061.db2.gz IBCCWTLAKPJTOU-HNNXBMFYSA-N 1 0 361.467 2.829 20 70 FFIDRO C[C@@H](CNC(=O)C1(C[NH3+])CCCC1)Oc1ccccc1Br ZINC000161140375 509076870 /nfs/dbraw/zinc/07/68/70/509076870.db2.gz MWNZRVQFTDECDH-LBPRGKRZSA-N 1 0 355.276 2.852 20 70 FFIDRO CN1C[C@@H]([NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CCC1=O ZINC000161201863 509085049 /nfs/dbraw/zinc/08/50/49/509085049.db2.gz ZEOQKWOAIOREBC-HKUYNNGSSA-N 1 0 355.413 2.716 20 70 FFIDRO COc1cc(NC(C)=O)ccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000161222630 509088062 /nfs/dbraw/zinc/08/80/62/509088062.db2.gz SYTOICGFJUOTLV-UHFFFAOYSA-N 1 0 362.474 2.896 20 70 FFIDRO CSCC[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1nnc2ccccn21 ZINC000161239972 509090576 /nfs/dbraw/zinc/09/05/76/509090576.db2.gz FZMGAWQSSBXGEX-OAHLLOKOSA-N 1 0 362.499 2.799 20 70 FFIDRO CCc1nn(C)c(Cl)c1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000161288746 509097438 /nfs/dbraw/zinc/09/74/38/509097438.db2.gz LYJPRRHAICVEPP-AWEZNQCLSA-N 1 0 352.841 2.808 20 70 FFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1OCC(C)C ZINC000161319370 509101327 /nfs/dbraw/zinc/10/13/27/509101327.db2.gz PQNQMYBBFDJXHF-KRWDZBQOSA-N 1 0 356.470 2.731 20 70 FFIDRO COc1cc(F)c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC000161392382 509110722 /nfs/dbraw/zinc/11/07/22/509110722.db2.gz SWISWUPLYIRCFU-CYBMUJFWSA-N 1 0 352.431 2.937 20 70 FFIDRO Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)C2=O)c1 ZINC000161397127 509111269 /nfs/dbraw/zinc/11/12/69/509111269.db2.gz JSWCEZHPHWBSQN-QXAKKESOSA-N 1 0 357.498 2.501 20 70 FFIDRO Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)C2=O)c1 ZINC000161397409 509111569 /nfs/dbraw/zinc/11/15/69/509111569.db2.gz JSWCEZHPHWBSQN-UHOSZYNNSA-N 1 0 357.498 2.501 20 70 FFIDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cn(-c3cccc(C)c3)nn2)o1 ZINC000161503569 509122687 /nfs/dbraw/zinc/12/26/87/509122687.db2.gz CEXWRDLMZZYRSD-UHFFFAOYSA-N 1 0 367.453 2.681 20 70 FFIDRO O=C(Nc1nnc(Cc2ccccc2F)s1)[C@@H]1CCn2ccnc2C1 ZINC000161508217 509123282 /nfs/dbraw/zinc/12/32/82/509123282.db2.gz MCBCRHYWDFNSQP-GFCCVEGCSA-N 1 0 357.414 2.666 20 70 FFIDRO